"Table S1. Variable importance in projection (VIP) scores, average raw intensity, and fold change (FC) for each feature in this study. The suffix number 1 to 7 following VIP and FC means scenarios using 1) all cases, 2) cases without any treatment (chemotherapy, radiotherapy, and surgery) before serum collection, 3) cases with any treatment (chemotherapy, radiotherapy, and surgery) before serum collection, 4) cases with negative lymph nodes, 5) cases with positive lymph nodes, 6) cases at stage 1, and 7) cases at stages 2 &3, respectively.",,,,,,,,,,,,,,,,,,
ID,Formula,Compound,Mass,RT,VIP_1,VIP_2,VIP_3,VIP_4,VIP_5,VIP_6,VIP_7,FC_1,FC_2,FC_3,FC_4,FC_5,FC_6,FC_7
1,C13 H16 O5,"Methyl 3,4,5-trimethoxycinnamate",252.1015,7.1500154,1.530985739,1.651328659,1.288944431,1.426159244,1.620499098,1.354478592,1.515053174,1.859841059,2.100193203,1.573105168,1.843628223,1.906983541,2.002015112,1.768176209
2,C12 H22 N2 O2,"1,8-Diazacyclotetradecane-2,9-dione",226.1677,3.7739906,0.800604003,0.727429854,0.895163337,0.856379027,0.820834145,0.433698073,1.010840875,0.888993223,0.881638686,0.897767056,0.851267739,0.913151485,0.494659772,1.143234526
3,C21 H38 N,1-Hexadecylpyridinium,303.2926,11.436019,0.33620071,0.514168059,0.014600658,0.373903055,0.307791643,0.421219875,0.253330783,-0.094625691,-0.149641165,-0.028993196,-0.029358518,-0.194882836,-0.070757244,-0.110014558
4,C16 H33 N5 O5,Thr Lys Lys,375.2523,10.613019,2.34953003,2.260591407,2.148019155,2.299725287,2.266352795,2.23212656,2.284668951,4.146707996,4.137200287,4.158050525,4.069444362,4.264071162,4.100140447,4.17673181
5,C24 H44 N4 O4,C24 H44 N4 O4,452.3345,5.5729985,0.872867715,0.952417661,0.952915243,0.998055732,0.997841068,1.209173548,0.857140635,1.086405955,1.108299117,1.060287797,1.108179532,1.066096472,1.034934223,1.119591677
6,C18 H33 N3 O3,C18 H33 N3 O3,339.2503,4.7680016,0.360006848,0.354270213,0.460934667,0.558627438,0.375610499,0.183941806,0.501945485,0.569773403,0.508753475,0.642569106,0.709857918,0.410800681,0.269827819,0.763159371
7,C16 H34 O9,C16 H34 O9,370.2198,4.793008,0.666868629,0.627997309,0.565674596,0.937505394,0.405466312,0.978401966,0.383880305,0.401471568,0.454613231,0.338074495,0.47564222,0.308573641,0.519438852,0.325413713
8,C24 H30 O6,Clausarinol,414.2045,11.021978,0.687249002,0.838822163,0.2248229,0.568369782,0.706229492,0.753510074,0.4943847,-0.134242208,-0.184534085,-0.074244881,-0.109723618,-0.175080939,-0.174531241,-0.108266384
9,C24 H44 N4 O4,C24 H44 N4 O4 Esi+5.3339934,452.3352,5.3339934,0.33608015,0.198955405,0.620949016,0.643539556,0.081473164,0.206385714,0.455591206,0.482332232,0.28450581,0.718335683,0.698821985,0.203985602,0.301121397,0.599165534
10,C20 H34 O8,Acetyl tributyl citrate,402.2257,13.861026,0.831264529,1.178091681,0.428936688,0.925236053,0.791195074,1.010725315,0.74019266,-0.370563466,-0.483781388,-0.235496471,-0.352733314,-0.368667618,-0.393265341,-0.355926731
11,C31 H56 O10,C31 H56 O10,588.3874,13.18799,1.465690571,1.225202675,1.708012451,1.258496626,1.683685404,1.277249437,1.58923732,2.195761874,1.953562066,2.484701996,2.032444768,2.407564068,1.928356154,2.368168194
12,C21 H43 N5 O7,Gentamicin,477.3139,12.502991,0.417756166,0.411098782,0.286016801,0.544037661,0.248585742,0.423323325,0.457048831,-0.493338341,-0.672417783,-0.279699709,-0.696128452,-0.260992079,-0.534499908,-0.466799962
13,C23 H38,"3Z,6Z,9Z,12Z,15Z-Tricosapentaene",331.324,12.519027,0.420834023,0.601840507,0.092065194,0.478265177,0.314336654,0.565720418,0.293721856,-0.163303944,-0.232748438,-0.080457882,-0.11067202,-0.240912115,-0.177674989,-0.154038402
14,C18 H38 O10,C18 H38 O10,414.2459,5.0150113,0.649553909,0.522360048,0.674541611,0.891771527,0.422308274,0.99249333,0.337618145,0.375364002,0.354044269,0.400798069,0.439144608,0.301892805,0.510866825,0.288000339
15,C22 H48 N,Didecyldimethylammonium,325.3707,12.87004,0.58379205,0.785762531,0.197158477,0.566300809,0.544120003,0.743649515,0.431069522,-0.242317228,-0.341202749,-0.124348535,-0.178132174,-0.332741324,-0.287643956,-0.213093416
16,C14 H30 O8,C14 H30 O8,326.1937,4.5349927,0.512626019,0.32590981,0.587306789,0.629335504,0.318115616,0.666006745,0.283460639,0.230730011,0.20118984,0.265970916,0.235403648,0.226354994,0.29186579,0.191313521
17,C17 H19 N O3,(-)-Morphine,285.1365,10.379979,0.052178115,0.079370557,0.318367858,0.083360671,0.199572975,0.0487636,0.133324727,0.335517592,0.164506993,0.539530237,0.396639417,0.241165251,0.394111484,0.297739952
18,C6 H11 N O,2-Acetylpyrrolidine,113.0841,3.7520099,0.672527446,0.681843784,0.513536571,0.462533067,0.946122723,0.557783905,0.805228663,0.732184125,0.78632736,0.667592195,0.574582372,0.931588662,0.521437065,0.868060518
19,C18 H38 O10,C18 H38 O10 Esi+4.869996,414.2458,4.869996,0.620239208,0.472311729,0.7819415,0.586825226,0.688638365,0.670902148,0.588673023,0.535733949,0.470925509,0.61304928,0.522967119,0.590200362,0.573226254,0.511561278
20,C23 H40 O8,2-glyceryl-6-keto-PGF1?,444.2724,11.3279705,0.598513636,0.62659325,0.45038964,0.554883536,0.510994854,0.405928321,0.601417932,-0.798903452,-0.976659544,-0.586843554,-0.742013465,-0.889245531,-0.697645435,-0.864188227
21,C14 H31 N O,Xestoaminol C,229.2407,10.111004,1.19791863,1.349557773,1.059426565,1.290656607,1.179945903,1.210825052,1.2328862,-0.575704243,-0.633628868,-0.506601181,-0.55513009,-0.60477899,-0.497679352,-0.626009765
22,C17 H19 N O3,(-)-Morphine Esi+10.670988,285.1365,10.670988,0.104822274,0.251482303,0.208268788,0.234715432,0.059111273,0.099684651,0.010115651,0.140757044,-0.075556143,0.398814881,0.195794228,0.066015626,0.184911097,0.112289299
23,C33 H60 O10,Nonoxynol-9,616.4192,13.726019,0.121412818,0.116665694,0.449069667,0.038390857,0.215171384,0.029264204,0.24320861,0.161883319,-0.045393078,0.409160424,0.103613924,0.234916372,0.034261794,0.244165618
24,C16 H34 O9,C16 H34 O9 Esi+4.6450086,370.2194,4.6450086,0.274951121,0.20204429,0.30812068,0.680663284,0.009353492,0.75710406,0.012913456,0.214146614,0.188188234,0.245114506,0.350002817,0.058374839,0.458252903,0.056762296
25,C5 H9 N O,"2,5-Dihydro-2,4-dimethyloxazole",99.0681,2.5450015,0.047748543,0.054579754,0.220963,0.036170881,0.06837513,0.107313218,0.037569809,-0.007293413,-0.197710357,0.21987066,-0.101220218,0.123217362,-0.007002689,-0.007480854
26,C10 H22 O4,C10 H22 O4,206.1518,6.587007,0.015676608,0.082730468,0.126757153,0.028019991,0.022243522,0.025066269,0.03598119,0.035108651,-0.028778355,0.111324728,0.012177988,0.044266097,0.043082486,0.029967626
27,C14 H26 O5,3-hydroxy-tetradecanedioic acid,274.1779,8.552001,0.244974305,0.012400613,0.422837022,0.059216863,0.392390191,0.099342376,0.294638234,0.182226905,-0.019178039,0.422499469,-0.008991877,0.438725528,0.005813853,0.295966898
28,C17 H19 N O3,(-)-Morphine Esi+10.543969,285.1365,10.543969,0.255243663,0.361062846,0.036665631,0.412011219,0.044270315,0.23212058,0.151117555,-0.042315836,-0.240154092,0.193701733,-0.022910406,-0.070925441,0.000845349,-0.070143442
29,C25 H48 N6 O8,Deferoxamine,582.3388,12.471988,2.686049878,2.513591694,2.827191737,2.652977449,2.769546804,2.552116773,2.748464825,5.035789599,4.792645981,5.325855669,4.851224267,5.272451184,4.775786346,5.203423275
30,C30 H48 O7,22-epi-Hippurin-1,519.3248,5.390012,0.370720028,0.339798621,0.274656929,0.565297923,0.175655918,0.638959857,0.130333993,0.228504195,0.258741004,0.192432212,0.281435318,0.17466438,0.341284537,0.155790553
31,C29 H44 N4 O4,C29 H44 N4 O4,512.3354,14.535956,0.068264572,0.189574473,0.420041636,0.021367956,0.133714115,0.072769602,0.116361814,0.077049697,-0.138041412,0.333649616,0.035788584,0.134414781,0.033704055,0.104996229
32,C26 H44 O8,Goshonoside F2,484.3041,14.055976,0.651415744,0.342801347,0.965106328,0.49630932,0.776356398,0.514520115,0.7302331,0.778266349,0.478881689,1.135426996,0.635011076,0.974552842,0.599827824,0.89331224
33,C9 H18 N O4,Succinylmonocholine,203.1158,0.8439985,0.51030088,0.574044462,0.479617612,0.567957482,0.394267958,0.393829288,0.619411585,0.28057773,0.32904895,0.222752413,0.347042762,0.173993467,0.253723218,0.297891823
34,C32 H29 N4 P S,C32 H29 N4 P S,532.1858,14.574967,0.882307069,1.058420509,0.560175744,0.94569249,0.709164422,0.957880771,0.742673256,-0.693191879,-0.871500385,-0.480472959,-0.711056931,-0.685281786,-0.810086495,-0.617825613
35,C30 H55 N5 O5,C30 H55 N5 O5,565.4189,5.724986,0.692142847,0.668867622,0.836617666,0.896978516,0.690881049,0.744637202,0.757709504,0.765330998,0.707048776,0.834860666,0.851910483,0.656381189,0.592283214,0.87690128
36,C21 H41 N5 O7,Netilmicin,475.2987,5.21301,0.222707688,0.163700857,0.138818923,0.484659235,0.052504484,0.486837696,0.003941915,0.131893414,0.176536984,0.078634419,0.229309154,0.010130271,0.261320017,0.048447315
37,C26 H46 O9,C26 H46 O9,502.3145,11.917984,0.765335696,0.573499378,1.096248574,0.74455781,0.80096642,0.831553136,0.772470448,0.97144901,0.788294572,1.189949042,1.00423929,0.906017304,0.986441982,0.961782488
38,C19 H30 N6 O6,Arg Thr Tyr,438.2233,10.339014,0.19639001,0.265604611,0.063892665,0.180989211,0.206283584,0.050771561,0.228964115,-0.185675374,-0.312209798,-0.034722026,-0.115110836,-0.298727566,-0.043336905,-0.277446229
39,C24 H51 N O7 P,PC(16:0/0:0)[rac],495.3327,12.5690155,1.692995383,1.665242252,1.449033844,1.654474998,1.457840085,1.510842061,1.62654053,-3.165384527,-3.361436578,-2.931497869,-3.272882762,-3.004604066,-3.155280433,-3.171899009
40,C35 H46 O4,(-)-Neolinderatin,530.3457,12.790023,0.298858697,0.465403343,0.003029342,0.287205899,0.230974697,0.28667141,0.23306277,-0.216578333,-0.43992637,0.049871958,-0.192251758,-0.255849685,-0.282371733,-0.174158904
41,C19 H36 O6,C19 H36 O6,360.2514,10.534992,2.469959345,2.306497394,2.5947459,2.375008969,2.606076299,2.270557108,2.575971805,2.480825937,2.274442422,2.727037851,2.325323366,2.682480616,2.283949921,2.607759158
42,C22 H40 O11,3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid,480.2538,5.1190095,0.599429528,0.492705827,0.557745873,0.744232805,0.44063998,0.620565252,0.46043064,0.427813609,0.430325274,0.424817237,0.473178007,0.377852305,0.434353277,0.423597244
43,C14 H20 O5,Kamahine C,268.1288,7.2239995,0.824264278,0.649050189,0.845238445,0.741066629,0.754625422,0.67304874,0.809157228,0.494260519,0.445893341,0.551961713,0.486891594,0.49784324,0.455789547,0.519064172
44,C18 H39 O7 P,Tris(butoxyethyl)phosphate,398.2431,13.056961,0.375558469,0.586757456,0.054672299,0.242879449,0.405207037,0.354276317,0.313539425,-0.142773367,-0.316172911,0.064089247,-0.059392333,-0.245385288,-0.094466253,-0.173918743
45,C12 H26 O7,C12 H26 O7,282.1676,4.2310047,0.927140446,0.934274709,0.960499753,1.211338864,0.69823454,1.252597355,0.673693464,0.311233026,0.317158883,0.304163582,0.352985719,0.253225392,0.418062183,0.242356333
46,C21 H41 N5 O7,Netilmicin Esi+5.1319976,475.2985,5.1319976,0.453777498,0.407351472,0.362735102,0.663782781,0.177441108,0.462402902,0.313771692,0.382016387,0.401766411,0.358454955,0.490063566,0.24391766,0.403971528,0.367861099
47,C20 H40 N6 O10,C20 H40 N6 O10,524.2799,5.390012,0.799877364,0.685443075,0.737154524,1.010036426,0.550984336,1.058178116,0.522576116,0.560937045,0.585545673,0.531579383,0.643042187,0.465429564,0.697007545,0.47320738
48,C14 H22 N O4,Hesperaline,267.1434,4.3830004,0.063758884,0.074746429,0.391213139,0.0810094,0.311333563,0.130148413,0.295887894,-0.01848697,0.423502744,-0.545772944,0.352251974,-0.470379021,0.427478237,-0.306017169
49,C21 H34 O5 S,Allopregnanalone sulfate,398.2142,5.4449916,0.068271487,0.187731921,0.217255489,0.259627125,0.188297011,0.290295916,0.219834522,0.055587246,-0.052892151,0.185001263,0.133491971,-0.026498703,0.159828351,-0.011620835
50,C42 H74 O13,C42 H74 O13,786.5133,14.269029,0.583385974,0.733631519,0.267725769,0.603422746,0.484341994,0.533600183,0.528685703,-0.661759603,-0.936810475,-0.333628738,-0.668836586,-0.672964007,-0.718338703,-0.625280972
51,C13 H4 D10 N2 O4,DMABA-d10 NHS ester,272.1625,7.715975,0.581701625,0.347605166,0.813383912,0.416749646,0.693008355,0.479203424,0.619557383,0.467932802,0.310933494,0.655230222,0.380538735,0.577288538,0.415045571,0.502031148
52,C34 H40 N4 O4,Ceanothine E,568.3061,5.5500064,1.03051444,0.974863201,0.957451844,1.161088385,0.957664189,1.244417385,0.808556007,0.654653532,0.688849327,0.613858548,0.665587631,0.642353399,0.746964309,0.595137373
53,C31 H52 N2 O5 S,Valnemulin,563.3517,5.5500064,0.599184844,0.497136457,0.569539777,0.631518039,0.60610404,0.825733971,0.339757261,0.351050275,0.334079036,0.371296665,0.318658131,0.400388152,0.431924398,0.298907748
54,C12 H24 O8,C12 H24 O8,296.1449,0.8849983,0.321420286,0.257452528,0.238442954,0.210718651,0.222860651,0.267300494,0.199242122,0.413166226,0.431763835,0.390979605,0.393570493,0.401293848,0.410528394,0.414866934
55,C23 H41 Br O2,"6-bromo-tricosa-5E,9Z-dienoic acid",428.2248,5.097,0.53587774,0.595433576,0.260371227,0.489035548,0.45732779,0.648367382,0.324595422,0.586516833,0.746555893,0.395593042,0.615802816,0.530399267,0.650563685,0.545223468
56,C6 H11 N O,2-Acetylpyrrolidine Esi+3.9290042,113.084,3.9290042,1.001846591,0.833851248,1.149859058,0.912537069,1.072775688,0.677626359,1.156124454,0.551100206,0.502611483,0.608946402,0.507796184,0.611209223,0.408929108,0.642763151
57,C9 H11 N O2,Benzocaine,165.0791,2.6770017,0.043381363,0.193571362,0.12425785,0.061469455,0.131892766,0.106775959,0.015571304,-0.018901119,0.050256299,-0.101404706,-0.025632846,0.00619504,0.017918264,-0.042639932
58,C22 H43 N O,13E-Docosenamide,337.3345,16.64403,1.773993936,1.870193601,1.726738817,1.801187079,1.775562917,1.939869722,1.731267227,-1.533320042,-1.748228139,-1.276938453,-1.462545379,-1.629751201,-1.615981752,-1.480024992
59,C12 H22 O5,Dibutyl malate,246.147,7.1180134,0.544220379,0.441877859,0.641288158,0.508771184,0.495976422,0.51912204,0.509560172,0.315277419,0.279218062,0.358295599,0.315677248,0.299923867,0.313990087,0.316107409
60,C16 H32 O10,C16 H32 O10,384.1987,4.8709846,0.050407766,0.011891522,0.006808202,0.083261297,0.014577102,0.146743809,0.072842358,0.085881266,0.156944973,0.001103509,0.137596523,0.021988066,0.138597013,0.051893481
61,C17 H34 N10 O5,Arg Gln Arg,458.272,5.21301,0.656804298,0.563350512,0.544831288,0.831202946,0.443602913,0.804364765,0.441028021,0.453334818,0.502559599,0.394610517,0.50546604,0.390866251,0.526127117,0.40640294
62,C9 H16 N2 O2,C9 H16 N2 O2,184.121,3.5109906,1.299453044,1.193536201,1.192033073,1.260785947,1.227413601,1.164748205,1.220962499,0.618505238,0.728049156,0.487821266,0.635907893,0.600021083,0.67310897,0.583300201
63,C23 H34 N4 O8,Ustiloxin D,494.2331,5.2969975,0.165575734,0.224018018,0.046727785,0.263967642,0.039250594,0.479001412,0.134696211,0.185659598,0.328908865,0.014765736,0.315584629,0.000512917,0.428209218,0.029278922
64,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid,186.0891,4.836995,0.480826943,0.468840649,0.569606254,0.310040663,0.613784293,0.655761086,0.383103328,0.457208191,0.416563073,0.505697104,0.438515028,0.453168009,0.660249767,0.326299807
65,C20 H38 N6 O11,C20 H38 N6 O11,538.2593,5.4759946,0.445686716,0.472191216,0.22814725,0.418042505,0.42316025,0.740440897,0.153596193,0.419663715,0.561771537,0.250131577,0.440400188,0.397736925,0.652138727,0.269778511
66,C10 H12 N4 O5,Arabinosylhypoxanthine,268.0804,1.6430033,0.646832814,0.697815172,0.511574587,0.504631242,0.714998089,0.673503672,0.579959206,1.19034744,1.128529404,1.264095271,1.107369249,1.293402776,1.143956456,1.220257415
67,C32 H70 N3 S3,C32 H70 N3 S3,592.47,15.283985,1.11363477,1.292671473,0.792958638,1.108161844,1.037145174,1.159811116,1.007138315,-1.023263735,-1.339254513,-0.646292281,-0.976604517,-1.096385896,-1.141008628,-0.947349265
68,C25 H48 N6 O8,Deferoxamine Esi+12.429995,582.3365,12.429995,2.659288505,2.483212098,2.772724237,2.617106089,2.718255362,2.495278743,2.716746546,5.239653305,4.973774688,5.55684183,5.071606214,5.455512005,4.971391354,5.412611667
69,C13 H18 O5,"Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate",254.1132,6.390993,0.221040261,0.075935815,0.315684441,0.099534053,0.277408182,0.123468399,0.266810876,0.139492806,0.065812377,0.227392266,0.088450562,0.198824497,0.073192821,0.18223885
70,C31 H63 N O3,Cer(d18:0/13:0),496.4718,4.6320024,0.730653272,0.833038071,0.518406861,0.8182382,0.739643106,1.086071859,0.586964683,0.433096775,0.57560525,0.263086665,0.422304863,0.448264553,0.586692115,0.334068201
71,C29 H57 N O10 P,PC(16:0/5:0(COOH)),610.3694,13.168964,1.445607296,1.184663044,1.680669149,1.22480007,1.648366484,1.222243661,1.56003012,2.084485904,1.838155178,2.378354139,1.929774326,2.287698433,1.824585072,2.252053546
72,C23 H36 N6 O4,Lys Lys Trp,459.2667,5.654011,0.022182084,0.242469835,0.248861194,0.128944217,0.123607133,0.15797414,0.203686736,0.040265468,-0.07219589,0.174429896,0.05472019,0.024409158,0.067573345,0.022659074
73,C29 H34 O7,Microlenin,494.2331,5.2950053,0.18195181,0.266644667,0.13007739,0.245505664,0.028343835,0.444015014,0.123480427,0.175634491,0.385809886,-0.075101068,0.292432963,0.007344403,0.409836459,0.024635854
74,C17 H33 N O4,C17 H33 N O4,315.2409,8.863015,0.576200755,0.635495569,0.406869319,0.596717146,0.567754524,0.712431454,0.454790381,0.44320485,0.570361797,0.291508844,0.446066398,0.434866964,0.574658481,0.358451852
75,C26 H43 N O6,Sodium glycocholate,465.3077,8.682992,0.111230005,0.191540377,0.072632533,0.343480711,0.077468517,0.508124689,0.105444497,-0.211352628,-0.354691911,-0.040351377,-0.407672273,0.079685802,-0.619315456,0.051676037
76,C22 H32 N4 O4,Val Ile Trp,416.2405,10.340008,0.246128483,0.281761704,0.12659591,0.201658528,0.257981398,0.096441846,0.267643761,-0.248087633,-0.34962584,-0.126954334,-0.150020478,-0.398881241,-0.107339725,-0.338832995
77,C16 H26 Cl O2,C16 H26 Cl O2,282.1677,0.8829991,1.135557106,1.188281964,1.013256155,0.943365375,1.344608907,1.088924354,1.155234482,1.677741232,1.744529882,1.598063545,1.368022596,2.074134671,1.561342767,1.752787612
78,C16 H35 N O,C16 H35 N O,257.2712,11.3679905,0.405278922,0.551166345,0.119341786,0.475656063,0.308926539,0.355097969,0.406781282,-0.145360132,-0.249561684,-0.021049509,-0.102436949,-0.203977808,-0.063118888,-0.198384092
79,C6 H13 N O2,Aminocaproic acid,131.0947,1.4450046,0.576244498,0.663229898,0.385654759,0.596939531,0.455086237,0.647679848,0.481036124,0.195857244,0.263389817,0.115292068,0.238920931,0.150470603,0.249923241,0.160998904
80,C12 H22 O5,Dibutyl malate Esi+7.2239995,246.1469,7.2239995,0.631790823,0.436101363,0.717574288,0.529730879,0.646395139,0.457654664,0.679972534,0.386254825,0.312718999,0.473981775,0.36200981,0.414016915,0.31669848,0.431100363
81,C33 H48 N4 O6,L-Urobilinogen,596.3538,12.845965,2.570964194,2.409368522,2.679923309,2.544903074,2.625069794,2.436359194,2.627113403,4.038945243,3.836161604,4.280862566,3.930975457,4.17198716,3.844611664,4.164239261
82,C17 H31 N O4,C17 H31 N O4,313.2254,8.280022,0.417394394,0.386827175,0.341140174,0.306201624,0.592424042,0.278066704,0.438054366,0.340849168,0.421365523,0.244794569,0.270627682,0.449060594,0.30105086,0.366508603
83,C25 H42 O8,C25 H42 O8,470.2883,13.788026,0.774276868,0.4465868,1.116870486,0.623944334,0.899493162,0.626604406,0.851369362,0.922201082,0.616288722,1.287149162,0.783976376,1.112183409,0.728963393,1.04678854
84,C32 H67 N4 O5 P,C32 H67 N4 O5 P,618.4833,16.88104,0.661980104,0.697540393,0.509517087,0.498904676,0.696133849,0.537813242,0.614765683,-0.622430323,-0.778317901,-0.436459177,-0.51407842,-0.769453906,-0.585857498,-0.64601017
85,C22 H26 O6,Gingerenone B,386.1723,10.027006,1.167887108,0.912042742,1.508717095,0.992700635,1.558085771,0.74740505,1.533338886,0.617978592,0.45486547,0.812569686,0.509331465,0.824046657,0.393681648,0.762591096
86,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+7.31701,272.1626,7.31701,0.411975637,0.29680838,0.431147843,0.28958304,0.370832672,0.494944025,0.291957879,0.181547225,0.1676788,0.198092011,0.191548998,0.158236185,0.268688799,0.125363841
87,C24 H40 O8,C24 H40 O8,456.2726,13.585994,0.428691552,0.133030851,0.740405811,0.31459587,0.531530267,0.330413113,0.494917851,0.443440292,0.164934183,0.775693194,0.32461203,0.612610431,0.302175733,0.534518758
88,C12 H24,1-Dodecene,185.2145,9.547014,0.127982373,0.462735719,0.503152248,0.294213813,0.146787272,0.436315707,0.228684223,-0.001299019,-0.063634184,0.073065739,-0.024035472,0.031461688,-0.067205108,0.041193065
89,C15 H29 N O4,C15 H29 N O4,287.2101,7.411009,0.54235712,0.579431592,0.40723183,0.653797191,0.495296962,0.837972213,0.336200865,0.373064673,0.474668045,0.251853633,0.425752315,0.306805593,0.583692065,0.237265434
90,C15 H26 O6,Tributyrin,302.173,10.027002,0.821013516,0.950015856,0.501826485,0.780702295,0.744414147,0.697791902,0.808852798,-0.729705707,-0.930496316,-0.490166033,-0.669335856,-0.768094977,-0.72265514,-0.734251467
91,C18 H28 N20,C18 H28 N20,524.2803,5.3890023,0.844699033,0.761248252,0.733454508,1.019783302,0.687860222,1.081583744,0.603373766,0.657559917,0.71800001,0.585455945,0.716464041,0.6092834,0.769748256,0.585227961
92,C15 H24 N4 O5,Gln Pro Pro,340.1727,4.612006,0.252035147,0.126889923,0.284262485,0.241299068,0.276009666,0.380791023,0.129351004,0.21640432,0.240757212,0.187351747,0.202898036,0.240727351,0.289306601,0.169401534
93,C9 H18 N O4,Succinylmonocholine Esi+0.97500235,203.1158,0.97500235,1.43806218,1.585738766,0.962070563,1.48076434,1.203217597,1.555742986,1.241639376,0.850774351,1.125476988,0.523058923,0.919607139,0.756787779,0.997767301,0.75600258
94,C16 H32 N6 O5,Lys Lys Asn,388.246,11.968995,1.890632162,1.600074949,2.265672818,1.684380878,2.149978099,1.674725735,2.043038649,2.490971477,2.064746001,2.999450993,2.284462574,2.793369652,2.211213969,2.671341449
95,C20 H34 O8,Acetyl tributyl citrate Esi+9.878008,402.2254,9.878008,0.716638038,0.777605245,0.516950115,0.833585484,0.475656325,0.686456749,0.623902022,-0.874595478,-1.088244384,-0.619716082,-0.924120279,-0.803296851,-0.915906343,-0.847960842
96,C36 H62 N3 O5,C36 H62 N3 O5,616.4679,16.058046,1.187060063,1.287097943,0.987618293,1.196548226,1.108833008,1.135976774,1.132255498,-1.203062127,-1.44880953,-0.909889787,-1.143662263,-1.304147464,-1.182654975,-1.216219369
97,C20 H38 N6 O11,C20 H38 N6 O11 Esi+5.4739995,538.2593,5.4739995,0.369525088,0.392135697,0.144336355,0.363596662,0.31420834,0.621687229,0.083878484,0.343606466,0.466848078,0.196581384,0.374757202,0.324917838,0.549318409,0.210976397
98,C7 H8 N2 O2,4-Amino-2-nitrotoluene,152.0582,1.5130004,1.082191505,1.012033203,0.902810445,0.900298536,1.080880631,0.939258649,0.992577708,0.537811642,0.667639288,0.382929537,0.525028493,0.564342076,0.586180141,0.506626688
99,C26 H44 O8,Goshonoside F2 Esi+14.233956,506.286,14.233956,1.331084368,1.104231805,1.405335188,1.156144042,1.32687085,1.290705057,1.21018171,1.061417592,0.968454007,1.172321519,0.974682709,1.183262627,1.043946854,1.072681621
100,C34 H60 O11,C34 H60 O11,644.4138,14.133039,0.026714626,0.206474808,0.36733584,0.014755242,0.037020152,0.134430562,0.01564135,0.144448554,-0.077190289,0.408859805,0.205262338,0.074434697,0.231939365,0.088040005
101,C23 H34 N4 O4,Leu Trp Leu,430.2561,10.803974,0.28135576,0.282600387,0.198833905,0.202969037,0.310390792,0.096015377,0.307383247,-0.250650682,-0.327169518,-0.159365052,-0.120199595,-0.442047978,-0.095264744,-0.35083372
102,C23 H44 O4,Tetrahydropersin,401.3506,12.416014,1.046865362,1.064196841,0.900041119,0.95216667,1.106326789,0.919118696,1.077297248,-1.01007888,-1.189247485,-0.796333878,-0.985447554,-1.070774894,-1.039751323,-0.990947963
103,C25 H48 O4,MG(22:1(13Z)/0:0/0:0),429.3816,13.1330385,1.306929692,1.300709053,1.233719121,1.221108446,1.391603335,1.159969925,1.355210994,-1.355747281,-1.512290909,-1.16899348,-1.350732404,-1.400091222,-1.397564336,-1.328786285
104,C37 H64 O12,C37 H64 O12,700.4436,13.6899605,0.55420854,0.638178116,0.266150804,0.445645372,0.533874571,0.370131488,0.565129189,-0.669453218,-0.98427462,-0.293876809,-0.506104138,-0.91027512,-0.572871466,-0.731723032
105,C26 H42 N3 O8,C26 H42 N3 O8,524.2966,11.854003,1.046980744,0.824198817,1.391231019,0.978492712,1.150333208,1.005267011,1.120291246,1.421849343,1.165184205,1.728046348,1.393066498,1.441329597,1.330878356,1.480501689
106,C18 H20 N2 O3,Phe Phe,312.1479,5.574993,0.061289493,0.020769204,0.007492551,0.067861507,0.056961712,0.400920956,0.236136303,0.001596357,-0.103879287,0.127426951,-0.083258449,0.133009992,-0.339745117,0.221671782
107,C42 H68 O13,Saponin G,780.4641,13.928969,0.018878046,0.247735249,0.3419791,0.036779858,0.0138681,0.013316509,0.02890288,0.068181589,-0.257035629,0.456160024,0.071540428,0.041714478,0.00562185,0.108516157
108,C34 H60 N6 O4,C34 H60 N6 O4,616.468,16.239992,1.180050798,1.292210841,0.905832198,1.204079315,1.095858759,1.13137947,1.105862077,-0.889048178,-1.1058784,-0.630373526,-0.809688069,-1.012742055,-0.846823783,-0.916271801
109,C15 H27 N O4,C15 H27 N O4,285.1938,6.546013,0.315485828,0.091821003,0.483754594,0.096929198,0.550749042,0.085735303,0.452752708,0.271310063,0.239876592,0.308809643,0.237333697,0.323820887,0.11917883,0.369394674
110,C24 H50 N O8 P,PS(O-18:0/0:0),533.3034,5.4759946,0.134410675,0.141452651,0.095195661,0.021244991,0.18506004,0.2672462,0.050586151,0.162450436,0.273074025,0.030478434,0.145756817,0.19323227,0.236543927,0.114679632
111,C43 H72 N3 O13,C43 H72 N3 O13,838.5057,14.155025,0.571290324,0.324781422,0.898533329,0.487975857,0.641054172,0.466782682,0.676508744,0.72484447,0.522245742,0.966541199,0.687745277,0.762606913,0.617984308,0.793741153
112,C15 H26 N6 O4,Ala Lys His,354.2017,9.2840185,2.355804893,2.144188941,2.559621479,2.205354832,2.579015435,2.171022299,2.479313858,3.314803653,3.017231819,3.66980163,3.035150309,3.682037153,3.00370348,3.515381397
113,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z))",519.324,5.385989,0.38778166,0.37790954,0.27114659,0.52137588,0.237702096,0.544239683,0.233980409,0.278151718,0.329666498,0.21669549,0.311825313,0.246892882,0.351324931,0.230974252
114,C23 H48 N O7 P,LysoPE(0:0/18:0),503.2934,5.840985,0.146380773,0.148950683,0.393505656,0.256961314,0.000994409,0.324470201,0.099936094,0.12208471,-0.010572647,0.28034261,0.143199659,0.100346487,0.178155568,0.085933763
115,C17 H21 N O,Atomoxetine,255.1621,7.317009,0.328149236,0.294959178,0.278449935,0.226633569,0.359524722,0.319411622,0.281634813,-0.746446617,-0.752813335,-0.738851234,-0.814406588,-0.640647092,-0.792745801,-0.716595827
116,C21 H34 O5 S,Allopregnanalone sulfate Esi+5.4439816,398.2144,5.4439816,0.006893577,0.213104222,0.102270341,0.242868134,0.320281211,0.25884809,0.337239847,0.021218756,-0.062956075,0.121637853,0.132116559,-0.098040008,0.139577609,-0.055091557
117,C20 H24 N,Diphemanil Methylsulfate,277.1887,7.808989,0.625455383,0.561047297,0.522588198,0.513821807,0.565962943,0.475228902,0.547256951,-0.884333988,-0.917670338,-0.844564306,-0.886912499,-0.890897181,-0.865539768,-0.896451313
118,C33 H53 N O9,Malyngamide J,607.3768,5.697013,0.585694923,0.38564113,0.680334444,0.551538133,0.67985846,0.717799905,0.408145059,0.330682225,0.252161187,0.424356446,0.23919725,0.461687181,0.322924721,0.335683774
119,C25 H48 N O4,Elaidic carnitine,425.3505,12.672041,1.162416767,1.187905861,0.952251607,1.10904737,1.168210131,1.194868262,1.183727665,-0.956771183,-1.199965539,-0.666644582,-0.978300402,-0.936351119,-1.007012343,-0.924378856
120,C11 H18 N4 O2,Pirimicarb,238.1414,3.8460052,0.98098467,0.956482873,0.935854989,1.343346228,0.577919768,1.346999307,0.622518848,0.253286142,0.264507901,0.239898781,0.317122776,0.159635371,0.377415475,0.173255389
121,C18 H30 O3 S,2-Dodecylbenzenesulfonic acid,326.1934,4.3759904,0.125181483,0.158734683,0.092095058,0.442452456,0.387897458,0.268036293,0.16487359,0.057445526,0.130142795,-0.02928104,0.24969795,-0.233938104,0.147013773,-0.000302422
122,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z)) Esi+12.069015",519.333,12.069015,1.705464996,1.782728224,1.502292701,1.875415248,1.44689713,1.725239293,1.586198471,-1.972437787,-2.185343208,-1.718445354,-2.255068086,-1.581340299,-2.164932073,-1.848329628
123,C43 H79 O10 P,"PG(19:0/18:3(9Z,12Z,15Z))",785.5286,16.313976,0.478145706,0.577066308,0.260221671,0.451667095,0.359570206,0.256869323,0.491453827,-0.480143757,-0.666373989,-0.257974356,-0.396664783,-0.58972586,-0.267796878,-0.617051612
124,C22 H46 N O7 P,PE(17:0/0:0),467.3013,11.176019,1.47292708,1.477012235,1.268279727,1.449985988,1.292903923,1.231945429,1.439644764,-1.971082764,-2.079217022,-1.842080492,-1.98658551,-1.943344586,-1.866998172,-2.038189935
125,C38 H57 N9 O14,C38 H57 N9 O14,863.4013,5.7860084,1.043560005,1.066565242,0.794374462,0.831545035,1.19134926,0.680702545,1.134310916,1.295983628,1.463886157,1.095678858,1.125680852,1.58911514,1.077345682,1.436947568
126,C24 H34 O6 S,Rivenprost,450.2072,4.994009,0.539258019,0.365176869,0.29051007,0.529864452,0.393805226,0.809121102,0.20195764,0.499639378,0.642065263,0.329727796,0.537934164,0.450119071,0.704974172,0.367252472
127,C25 H44 O9,C25 H44 O9,488.2987,11.349032,1.192252658,1.028773262,1.46110319,1.18851425,1.198003176,1.329799938,1.138419736,1.579732969,1.400895477,1.793082959,1.612609338,1.507834839,1.650480432,1.534119473
128,C29 H50 O8,C29 H50 O8,526.3511,14.829037,0.110135727,0.29896828,0.162640634,0.104888617,0.088531615,0.069473854,0.084878167,-0.077306695,-0.303621398,0.192682776,-0.071165948,-0.085819502,-0.086248527,-0.071541567
129,C24 H50 N O7 P,PE(19:0/0:0),495.3371,12.351005,0.239941316,0.326120731,0.058876514,0.307476889,0.152230789,0.167759995,0.202696563,-0.073016022,-0.213523713,0.094607189,-0.047527763,-0.140640167,-0.030751593,-0.100265456
130,C19 H28 N4 O3,LY255283,360.2147,13.316966,1.286992603,1.599972582,1.069224796,1.480171425,1.213130389,1.640357516,1.210488168,-0.530278598,-0.595896117,-0.451998049,-0.539708424,-0.491122248,-0.610825907,-0.47834678
131,C25 H26 O5,Albanin D,406.1809,4.7419953,0.068477078,0.13269193,0.040798687,0.015914906,0.165485331,0.008332088,0.196681243,-0.050586388,-0.032033744,-0.072719366,0.00295028,-0.108355579,-0.015063081,-0.073489572
132,C34 H38 O16,Ramontoside,701.2055,16.70098,2.11515074,2.216333638,2.179908628,2.250694088,2.12056343,2.282727311,2.112455987,1.635231062,1.582401636,1.69825564,1.672820893,1.599472195,1.542218584,1.695199633
133,C27 H42 N O2,Benzethonium,411.3129,11.597982,0.321118425,0.199792462,0.442181407,0.181215805,0.416325425,0.238261038,0.362251963,0.287994913,0.213468083,0.376904112,0.245534409,0.338546016,0.327700898,0.262395001
134,C17 H37 N O2,C17 Sphinganine,287.2825,10.090008,1.364978777,1.525494379,1.137954334,1.498304,1.194618955,1.811099363,1.0988981,-0.520399059,-0.599550523,-0.425972751,-0.589293357,-0.40669169,-0.638161684,-0.444473156
135,C5 H4 N4 O,Allopurinol,136.0384,1.0169985,0.836047267,0.876656975,0.634169033,0.863550652,0.659573895,0.726435948,0.768142206,-0.522611244,-0.648261764,-0.372712378,-0.545171744,-0.496824413,-0.579898238,-0.485676208
136,C35 H69 N2 O7 P,"PE-Cer(d15:2(4E,6E)/18:0(2OH))",659.4796,11.490983,0.055993802,0.020695014,0.222555236,0.031145418,0.128117528,0.230462091,0.046502412,0.060913518,0.050689284,0.07311085,0.090722957,-0.008453504,0.172331406,-0.010921699
137,C36 H28 N2 O6 P,C36 H28 N2 O6 P,615.169,9.972001,0.158047619,0.104196123,0.218011545,0.244946147,0.092408471,0.355855406,0.046108388,0.411506523,0.419774387,0.401643106,0.475905313,0.26561093,0.596571495,0.292188317
138,C25 H42,"3Z,6Z,9Z,12Z,15Z-Pentacosapentaene",359.3547,13.156986,0.640101831,0.785180693,0.236867946,0.739415988,0.327268977,0.829971757,0.41162615,-0.328792295,-0.443596789,-0.191832548,-0.373905087,-0.265259012,-0.448821429,-0.251405091
139,C13 H13 N3,Varenicline,211.1109,5.1259885,1.282475399,1.365562594,1.051715833,1.189148698,1.463437625,1.359342684,1.177001913,-1.681087663,-1.745817539,-1.603866057,-1.432057736,-2.080129017,-1.771831521,-1.622581754
140,C24 H48 N O7 P,PE(19:1(9Z)/0:0),493.3176,11.581033,0.863249919,0.782933756,0.680510554,0.830131687,0.681836503,0.679048273,0.768805838,-0.676662687,-0.677053616,-0.676196314,-0.627224877,-0.778533234,-0.583465984,-0.736750034
141,C34 H38 N4 O5,Aralionine A,582.2845,5.635989,0.567590139,0.475477726,0.42690233,0.523339248,0.579068395,0.724566336,0.3170218,0.457446983,0.542499246,0.355981126,0.440505888,0.500747181,0.535097778,0.407382655
142,C6 H13 N O2,Aminocaproic acid Esi+1.3250011,131.0948,1.3250011,0.834917131,0.839590982,0.751849945,0.846153134,0.752366862,0.775578412,0.798190787,0.330045267,0.376307928,0.274854723,0.367539709,0.29445636,0.351762271,0.316043514
143,C45 H79 O7 P,"PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",761.549,12.009018,0.172826499,0.087873235,0.383324428,0.125681927,0.244476934,0.31774948,0.178880289,0.127383954,0.101598711,0.158145297,0.144014687,0.078860999,0.219172319,0.068204613
144,C32 H48 O10,Debromoaplysiatoxin,592.3205,8.551019,0.146417024,0.025474027,0.298588582,0.011945129,0.250880643,0.02240996,0.215771115,0.145188638,-0.010084983,0.330427343,-0.031303032,0.377144763,-0.023640377,0.254038924
145,C10 H20 N O4,(?)-Propionylcarnitine,217.1312,1.687997,0.867220672,1.107708672,0.374895656,0.971317534,0.688648356,0.820044856,0.798483887,0.371359557,0.594044681,0.10570011,0.46165806,0.260772647,0.414060049,0.343828976
146,C37 H58 O6,Hericenone G,615.4553,11.607981,0.006740489,0.063812955,0.152902177,0.072925105,0.102045225,0.123355404,0.000617583,0.044700256,0.033302637,0.058297414,0.064865798,-0.005942747,0.139661016,-0.016524445
147,C13 H24 O5,C13 H24 O5,260.1628,7.808985,0.116690349,0.225325418,0.014454922,0.068639734,0.106264592,0.01059955,0.15179561,-0.07458459,-0.144452257,0.008766311,-0.044204347,-0.130396024,-0.012546812,-0.114582631
148,C22 H47 N O2,C22 H47 N O2,357.3608,12.857974,1.340230098,1.389363364,1.147889412,1.223203171,1.323653308,1.350905742,1.27115962,-0.729830251,-0.842794733,-0.595065606,-0.669221036,-0.808182164,-0.845310822,-0.655375672
149,C41 H74 O12 S,"1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glycerol",790.4844,16.311024,0.666054044,0.507584243,0.823463386,0.662926812,0.613409117,0.770167488,0.582729964,0.893277861,0.81014455,0.992454442,0.95882376,0.800441417,1.074936562,0.776155804
150,C47 H78 O14,Nanchangmycin,866.5377,14.499019,0.237028052,0.038178117,0.513546853,0.24786278,0.222809399,0.266731639,0.251818672,0.336017454,0.182388695,0.519293869,0.373383981,0.275457683,0.365443838,0.31704518
151,C12 H22 O5,Dibutyl malate Esi+7.3669767,246.1469,7.3669767,0.405979986,0.509541651,0.12250185,0.390062258,0.277444505,0.406523375,0.2924648,-0.611885151,-0.943452546,-0.216331066,-0.688423544,-0.493483785,-0.619984603,-0.606663136
152,C41 H64 N4 O8,Antanapeptin C,762.4532,15.512957,0.450817748,0.270864152,0.655976955,0.450433715,0.403666576,0.536990855,0.398008871,0.533025112,0.428725774,0.657452392,0.585648647,0.460287434,0.658155086,0.452349208
153,C32 H58 O10,C32 H58 O10,602.4032,13.448979,1.416544218,1.219470191,1.640031137,1.3031278,1.526265989,1.282389738,1.532509606,1.422741841,1.249104426,1.62988823,1.370651689,1.483947801,1.296484272,1.504144747
154,C34 H58 O6,Campesteryl glucoside,562.4211,15.228024,1.052140492,1.169183572,0.874697197,1.124013078,1.000688931,1.051156204,0.99069281,-0.621569079,-0.739345396,-0.481063998,-0.525186728,-0.76941068,-0.542797057,-0.672356303
155,C38 H71 N O8 P,"PC(12:0/18:3(9Z,12Z,15Z))",717.5229,12.142023,0.100251055,0.034254046,0.296809256,0.077799147,0.175880335,0.266308267,0.102586449,0.091788332,0.068433949,0.119649701,0.120020962,0.02932273,0.191031154,0.027802828
156,C28 H58 N6 O P S,C28 H58 N6 O P S,557.4129,10.891023,0.110183589,0.107652786,0.0029083,0.144366295,0.017903056,0.06236169,0.116811438,-0.026162785,-0.012882223,-0.042006263,0.000838084,-0.092114885,0.081975826,-0.095883732
157,C24 H30 O6,Clausarinol Esi+11.291993,414.2043,11.291993,0.485441858,0.490992354,0.286286709,0.350975408,0.501501302,0.556421984,0.29375993,-0.18354131,-0.190762136,-0.174926992,-0.15089013,-0.2481793,-0.281582661,-0.120330439
158,C25 H40 N2 O6 S,"14,15-LTD4",496.2647,10.866966,1.603528661,1.482524636,1.831292286,1.560094701,1.687146923,1.624233899,1.666531629,2.058539313,1.917974162,2.226231071,2.086151458,1.992260879,2.05869879,2.058436492
159,C36 H60 O5,"DG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]",571.4292,11.749019,0.034344481,0.059289621,0.092668536,0.049362898,0.040929629,0.135970062,0.038049886,0.027191556,0.016506129,0.039939084,0.058571292,-0.042300198,0.129801368,-0.03896477
160,C38 H75 N O8 P,PC(12:0/18:1(9Z)),703.5067,11.388988,0.025677461,0.017117787,0.056988294,0.03934831,0.004859498,0.169162273,0.062310441,0.034273686,0.043073939,0.023775139,0.07791333,-0.053962934,0.157464318,-0.045151853
161,C36 H71 N2 O7 P,"PE-Cer(d16:2(4E,6E)/18:0(2OH))",673.4968,12.27596,0.024362596,0.070941628,0.150305231,0.068451071,0.078492147,0.136722045,0.009199997,0.035202427,0.018076714,0.055633102,0.061582722,-0.02502308,0.132247472,-0.027366089
162,C11 H9 N O2,3-Amino-2-naphthoic acid,187.0633,3.7930133,1.003570146,1.157975845,0.648329163,0.788284766,1.068642364,0.86810038,0.949411431,0.385533359,0.46084648,0.295686128,0.320307552,0.487829313,0.374252607,0.392806476
163,C24 H40 O8,C24 H40 O8 Esi+13.485033,456.2726,13.485033,1.100312624,0.732022778,1.455511712,0.990245972,1.177887554,0.941054502,1.178631669,0.844334174,0.620887122,1.110902587,0.759039786,0.973263434,0.6926374,0.942138674
164,C32 H43 N5 O5,Dihydro-?-ergocryptine,577.3296,5.635989,0.235875465,0.186692184,0.109793923,0.052944192,0.405214994,0.352327716,0.052153888,0.212676037,0.254813972,0.162406218,0.119677506,0.334430923,0.250877907,0.188045883
165,C33 H47 N5,C33 H47 N5,513.3871,11.008034,0.166501769,0.16592097,0.054004041,0.196926126,0.067359148,0.008745481,0.162959516,-0.058951504,-0.050664694,-0.068837523,-0.028602966,-0.128464457,0.049947953,-0.129162997
166,C19 H34 O5,13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid,342.2403,10.534009,2.360388835,2.279809288,2.55816464,2.329780916,2.551729376,2.229703939,2.521951783,3.657581244,3.264476732,4.12654803,3.386542598,4.006055108,3.357834073,3.850839288
167,C27 H46 O8,C27 H46 O8,498.3193,14.280025,0.445558958,0.146705249,0.755095533,0.348455296,0.504714354,0.361409365,0.500462876,0.471954396,0.205867466,0.789391435,0.391573145,0.587187468,0.36431321,0.541354634
168,C8 H19 N,Octylamine,129.1519,4.291993,0.236316448,0.041317709,0.714778215,0.001177465,0.626604038,0.031691627,0.480230718,0.084816916,-0.010064151,0.198008365,0.042252974,0.147866962,0.033321554,0.118017873
169,C15 H24 O6,C15 H24 O6,300.1573,9.385988,0.094782982,0.323049329,0.195395201,0.176518987,0.002643871,0.067667752,0.103499361,-0.103514544,-0.330438602,0.167201876,-0.162946124,-0.004450874,-0.130216741,-0.086298654
170,C12 H23 N,Dicyclohexylamine,181.1825,5.723014,1.27165448,1.233981691,0.99272887,1.22220722,1.115189378,1.099130311,1.184663154,-0.722533336,-0.769856886,-0.666077172,-0.718963115,-0.730955316,-0.677977049,-0.751260417
171,C12 H20 O5,"Polyethylene, oxidized",244.1312,6.2070007,0.761504022,0.610229337,1.099515601,0.662548472,0.911392041,0.816015092,0.769065238,0.681865152,0.52895033,0.864289851,0.653128449,0.708137306,0.702054885,0.668848087
172,C42 H82 N O9 P,PS(P-20:0/16:0),775.5652,12.704026,0.061203351,0.121065255,0.148589656,0.114706334,0.065339886,0.097505324,0.030964653,0.0242936,-0.005039862,0.059287906,0.049478836,-0.03226918,0.117898815,-0.03605713
173,C31 H50 N7,C31 H50 N7,520.4128,16.240978,1.152589331,1.306839595,0.816709122,1.235012592,1.004513605,1.045703406,1.132119591,-0.641014765,-0.834686677,-0.409967573,-0.588279927,-0.721206959,-0.556746469,-0.695345641
174,C17 H21 N O2,Desomorphine,271.157,7.4940124,0.140970685,0.29305422,0.041971444,0.170519078,0.082105813,0.087499478,0.167280185,-0.270230357,-0.426428257,-0.083889001,-0.320865591,-0.209312516,-0.222151573,-0.30122852
175,C24 H40 O7 S,Ursodeoxycholic acid 3-sulfate,489.2777,5.2939916,0.231751337,0.15452085,0.487853368,0.175813238,0.379682968,0.054998093,0.450511539,-0.149133349,-0.01545933,-0.308604109,-0.07424863,-0.250739345,-0.039265844,-0.219968978
176,C17 H37 N O2,C17 Sphinganine Esi+9.862035,287.2824,9.862035,1.874139158,2.010279648,1.942174181,1.942545608,2.129786508,2.030190488,1.981609715,-0.909619092,-0.866388768,-0.96119211,-0.834634473,-1.024248534,-0.831602315,-0.959919382
177,C42 H83 O8 P,PA(21:0/18:0),746.5856,15.669972,2.06918292,2.288357729,1.990686335,2.211034132,2.158792052,2.438372903,1.982565972,-1.069629244,-1.110758236,-1.020563077,-1.042694717,-1.102940206,-1.108373646,-1.0446493
178,C41 H64 N4 O8,Antanapeptin C Esi+15.510009,757.4977,15.510009,0.555504149,0.602508648,0.407397273,0.583067125,0.37097529,0.421136416,0.500446011,-0.462420166,-0.625227776,-0.268193543,-0.439657063,-0.496745788,-0.357582523,-0.530012857
179,C44 H75 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",758.4821,13.92897,0.494539568,0.679570689,0.109421526,0.470695942,0.411075884,0.465470476,0.426205159,-0.529490951,-0.867023497,-0.126820544,-0.474126548,-0.627259398,-0.590079157,-0.490427502
180,C22 H43 N14 O3 P,C22 H43 N14 O3 P,582.3385,12.478023,2.627420202,2.475498741,2.779263384,2.625587462,2.703308333,2.531739408,2.685980025,3.987203823,3.748015718,4.272551036,3.898202971,4.090505899,3.79761302,4.109439999
181,C6 H14 O3,"Polypropylene glycol (m w 1,200-3,000)",134.0941,3.4039953,0.263236676,0.049383574,0.508157577,0.498780423,0.20436253,0.38582589,0.186723004,-0.10539599,-0.031880839,-0.193098274,-0.117645655,-0.096326062,-0.111898646,-0.101203487
182,C14 H22 N O4,Hesperaline Esi+4.372003,245.162,4.372003,0.667093559,0.62492181,0.45763683,0.604040739,0.642877629,0.485612724,0.652422874,0.617726661,0.912396696,0.266190478,0.72845271,0.513138195,0.756391811,0.528324129
183,C47 H83 O8 P,"PA(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))",805.5745,11.910971,0.182369774,0.109803501,0.371592919,0.147525865,0.248669664,0.325200121,0.1774471,0.135842637,0.111874779,0.164435871,0.15760253,0.07847241,0.232174987,0.073733621
184,C32 H63 N2 O6 P,"PE-Cer(d14:2(4E,6E)/16:0)",601.4392,10.825999,0.154267892,0.140447933,0.069400586,0.176913349,0.074985377,0.043271733,0.172773723,-0.044217755,-0.026665412,-0.065157392,-0.001992389,-0.131783429,0.083925811,-0.126836632
185,C41 H58 O5,4-Methoxycinnamoyloleanolic acid methyl ester,630.4344,13.979984,0.434488081,0.597751115,0.157910885,0.476487335,0.302159217,0.437095509,0.34295823,-0.381426354,-0.584284281,-0.139420406,-0.40440834,-0.362351322,-0.450509683,-0.336885787
186,C23 H46 N O4,Pahutoxin,399.3348,12.476012,1.455074796,1.52103749,1.355146129,1.476431697,1.33091515,1.486882629,1.417178796,-1.358408854,-1.649583489,-1.011042623,-1.413856348,-1.283608451,-1.478376494,-1.281061296
187,C24 H38 O4,6?-Hydroxy-3-oxo-5?-cholan-24-oic Acid,390.2772,16.298038,1.163437729,1.220270432,1.163423366,1.310017728,1.048742628,1.433029961,1.043308494,-0.795284616,-0.876086036,-0.698889939,-0.848720336,-0.718970071,-0.901899285,-0.726546211
188,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+5.1440034,186.0892,5.1440034,0.146616187,0.383450287,0.195646532,0.368433026,0.11037337,0.300356676,0.011387384,-0.137226982,-0.362063764,0.130999355,-0.276482837,0.031749597,-0.300051577,-0.032247966
189,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+5.4749866,533.3036,5.4749866,0.068752637,0.10131313,0.172427027,0.069267307,0.164212913,0.173768587,0.079333205,0.120418572,0.227326349,-0.007120531,0.09245929,0.166243609,0.164328761,0.092108055
190,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol",528.3304,12.331034,1.039283958,0.856412648,1.35736452,0.981222747,1.146294583,1.033184085,1.113801136,0.99046802,0.831912212,1.179622317,0.9777813,0.998178762,0.966613652,1.00584781
191,C12 H24 O8,C12 H24 O8 Esi+4.301011,296.1457,4.301011,0.490733766,0.454418102,0.45596635,0.688330453,0.283105688,0.86218267,0.227534504,0.367391633,0.387877684,0.342952134,0.45465236,0.252661394,0.53402812,0.259954951
192,C13 H24 N6 O7,Arg Ser Asp,376.1708,5.201005,0.236316312,0.101686182,0.644561693,0.385941633,0.130101733,0.459477755,0.052268042,0.120440305,-0.096761826,0.379558637,0.140529282,0.121521792,0.178379374,0.083084853
193,C44 H86 N O10 P,PS(18:0/20:0),819.5913,12.591005,0.088103449,0.018645552,0.298548456,0.050710387,0.178437141,0.251044103,0.101953708,0.102084634,0.071250277,0.13886948,0.127553833,0.043710054,0.197894747,0.040312324
194,C13 H22 O5,C13 H22 O5,258.1468,6.9849877,0.125027828,0.007213791,0.25429587,0.01227386,0.183753635,0.156395118,0.104460986,0.055524125,-0.019494144,0.145019604,0.01247806,0.100655638,0.07463945,0.043199771
195,C8 H10 N4 O2,Enprofylline,194.0812,4.429004,0.26089682,0.438082829,0.016702523,0.446817109,0.032797356,0.231101566,0.235642043,-0.459299776,-0.682572672,-0.192939129,-0.588204071,-0.235543862,-0.200882587,-0.625910859
196,C21 H36 O11,"Linalool 3,7-oxide beta-primeveroside",464.2227,5.654011,0.330317523,0.123534975,0.475195737,0.515135456,0.131751298,0.380268239,0.192697961,0.257203881,0.150780457,0.384165158,0.33743293,0.163024263,0.265366888,0.251940889
197,C25 H50,9-Pentacosene,367.4169,13.933037,0.230368158,0.258661325,0.025117661,0.133813792,0.155034222,0.058586095,0.232798313,0.141419195,0.174825959,0.101565513,0.13607184,0.156098534,0.06531856,0.190484079
198,C19 H41 N O2,C19 H41 N O2,315.3137,11.31901,0.574438265,0.770479114,0.257335592,0.709018221,0.32034263,0.818127911,0.361602364,-0.215516981,-0.299117674,-0.115782821,-0.25873515,-0.145669362,-0.324368217,-0.145336579
199,C23 H32 N4 O4,Nummularine F,428.2412,12.934019,1.068547978,0.734024519,1.443893976,0.875529975,1.278348553,0.923925547,1.14669523,1.370506029,1.029530448,1.777283915,1.176327407,1.646773886,1.133655196,1.523212488
200,C25 H48 N6 O8,Deferoxamine Esi+12.429995 :1,582.3385,12.429995,2.659045016,2.482629387,2.772176077,2.616525755,2.717828911,2.494857068,2.716222796,5.239716237,4.971580941,5.559596941,5.073284783,5.453127959,4.975169381,5.410279341
201,C20 H32 O5,?-12-PGD2,352.222,8.484007,0.87585038,1.023759143,0.764220343,0.874031335,0.963366579,1.080434925,0.743872978,0.865093118,0.944573158,0.770274825,0.858607347,0.80261661,0.90592634,0.838766436
202,C26 H43 N O5,Glycoursodeoxycholic acid,449.3148,10.129995,0.475057224,0.426836919,0.558772146,0.541014118,0.357921998,0.661148051,0.369437876,-0.721130617,-0.683698235,-0.765786793,-0.776306629,-0.592141743,-0.927961172,-0.587779339
203,C45 H77 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))",772.4978,14.113023,0.406567047,0.566691095,0.083350299,0.403130415,0.335682903,0.332077865,0.372986759,-0.443425239,-0.737038086,-0.093150263,-0.416630194,-0.508563615,-0.443680771,-0.443260488
204,C28 H51 N O7 P,"LysoPC(20:4(8Z,11Z,14Z,17Z))",543.3326,12.0910015,1.327291264,1.45263955,0.864734523,1.414284975,0.922525352,1.250684362,1.168298018,-1.385091966,-1.692611333,-1.018226756,-1.546646808,-1.172859214,-1.522487913,-1.296507737
205,C34 H67 N2 O6 P,"PE-Cer(d16:2(4E,6E)/16:0)",629.4709,12.418964,0.051482041,0.085773253,0.105971935,0.081166723,0.040352913,0.124014024,0.043322123,0.022236817,0.011266277,0.035324479,0.055725722,-0.047191033,0.125989493,-0.044656356
206,C9 H17 N O2,Gabapentin Esi+3.6190052,171.1262,3.6190052,0.438601684,0.316205765,0.537143439,0.383084451,0.445256376,0.293421501,0.535240498,-0.518011508,-0.373954896,-0.689868519,-0.382244541,-0.713104266,-0.213028796,-0.714645099
207,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid,228.1359,6.587007,0.171694962,0.028721933,0.415386356,0.140321277,0.169677247,0.212998418,0.095613241,0.166346071,0.035529917,0.322407448,0.148151522,0.166548904,0.204236338,0.14191682
208,C34 H58 O6,Campesteryl glucoside Esi+15.037044,562.4208,15.037044,1.465185704,1.605295421,1.306294125,1.545039501,1.403747312,1.481720109,1.4391592,-1.230938859,-1.471690563,-0.9437263,-1.134349134,-1.379458433,-1.06648434,-1.336968746
209,C35 H60 N7 O,C35 H60 N7 O,594.4855,16.239012,1.217471682,1.344261332,0.913753779,1.237886036,1.120975611,1.261373729,1.088730308,-0.964056546,-1.206686365,-0.674603429,-0.878623845,-1.083763492,-0.992283257,-0.945857746
210,C32 H54 N3 O9,C32 H54 N3 O9,624.3854,13.5,0.793046193,0.59426103,1.117388846,0.711252771,0.894747991,0.724122222,0.877985143,0.692743069,0.531669049,0.884901549,0.656543778,0.732644907,0.623807193,0.737188568
211,C20 H33 N3 O4,Celiprolol,401.2253,4.7769885,0.169410594,0.006894802,0.18021959,0.148889344,0.079329372,0.261941574,0.022241747,0.144363789,0.143782203,0.145057611,0.142478973,0.138678448,0.176950283,0.123354076
212,C13 H22 N6 O4,C13 H22 N6 O4,326.1705,8.003022,1.473556378,1.305898644,1.498525968,1.172644455,1.773123058,1.029113381,1.684563867,2.41637377,2.263884352,2.598290969,1.992970135,2.980574269,1.798385075,2.814813849
213,C28 H53 O12 P,PI(19:1(9Z)/0:0),612.3319,5.696009,1.004184037,0.917981491,1.019852869,1.072940152,1.038315158,1.192062691,0.813821639,0.620342036,0.590895111,0.655471701,0.56450971,0.698984501,0.652479422,0.599621879
214,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+4.835003,186.0892,4.835003,0.294225418,0.18589832,0.441990171,0.109411693,0.423374237,0.33413942,0.248591555,0.340390814,0.242850425,0.456754788,0.257384864,0.418448175,0.46825928,0.257949303
215,C25 H46 N O4,Linoleyl carnitine,423.3347,12.064962,0.491111174,0.515723016,0.162378222,0.459291584,0.411099091,0.46762524,0.373867245,-0.213756209,-0.363818772,-0.034734203,-0.208770839,-0.228789953,-0.28534431,-0.167600722
216,<none>,<none>,497.8471,12.172037,0.200401595,0.112432966,0.416497992,0.137874329,0.305733435,0.327303592,0.203200982,0.166933847,0.131584717,0.209104739,0.184496144,0.113826665,0.26448154,0.104041256
217,C30 H42 O8,Ganoderic acid theta,547.3194,6.006992,0.178720538,0.116293359,0.427364235,0.246475477,0.123520486,0.317015398,0.040924719,0.139525687,-0.005601056,0.312659345,0.136169416,0.167979458,0.167830999,0.121276209
218,C40 H79 N O8 P,PC(14:0/18:1(9E))[U],731.5375,12.831036,0.058866825,0.114024562,0.15056338,0.105447023,0.073695522,0.090965235,0.017393766,0.022832085,-0.006255907,0.057533548,0.050000748,-0.0359937,0.11544875,-0.036881292
219,C28 H40 O10,"Desacetyl (7)Khivorinic Acid, Methyl Ester",536.2575,7.2239995,0.67719312,0.532938387,0.744677241,0.612240531,0.598852411,0.591258474,0.668930489,0.617532732,0.566361585,0.678579013,0.639952819,0.569567184,0.603727146,0.626433702
220,C23 H26 O7,"1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate",414.1687,11.217022,1.017713444,0.851878235,1.451756676,1.108240079,1.206690869,1.290947277,1.047430515,1.016000227,0.768593954,1.31115157,0.955128312,1.13810486,0.938916532,1.065698925
221,C15 H26 N6 O4,Ala Lys His Esi+9.193989,354.2018,9.193989,2.130062364,1.968713246,2.300780541,1.955948923,2.416178213,1.855385977,2.322151434,3.229998584,2.910756864,3.610848356,2.784101343,3.819025992,2.681053845,3.583923482
222,C46 H76 O19,3-O-(Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol,932.507,11.326997,0.720496491,0.618021425,0.707352967,0.629569774,0.693728343,0.388445277,0.788243846,-1.169656848,-1.158195672,-1.183329829,-0.975784134,-1.45479542,-0.770262499,-1.427161099
223,C26 H39 N4 O4,C26 H39 N4 O4,471.2951,9.886983,0.493346554,0.60911265,0.37450836,0.832928461,0.119798078,1.043935823,0.153533929,-0.737430225,-0.976414358,-0.452326347,-1.117340229,-0.193713384,-1.385983264,-0.319284186
224,C34 H38 N4 O5,Aralionine A Esi+5.6009946,582.2844,5.6009946,0.46354331,0.465510824,0.234669609,0.536896437,0.349597398,0.64218707,0.239728203,0.382903183,0.509916088,0.231379016,0.424767246,0.334073582,0.511655239,0.299891989
225,C21 H39 N O8,C21 H39 N O8,433.2674,10.342021,0.611486,0.617720046,0.481566834,0.573725089,0.546345568,0.409613302,0.618202275,-0.590323843,-0.684685699,-0.477751804,-0.519958749,-0.701791283,-0.453089721,-0.678803737
226,C8 H18 O3,"(3R,7R)-1,3,7-Octanetriol",162.1256,6.19398,0.564750208,0.639112862,0.280591195,0.505107014,0.549945121,0.447903389,0.531020744,-0.169029053,-0.261441331,-0.058782827,-0.137929797,-0.224701092,-0.140621857,-0.187344219
227,C35 H64 O7 S,2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid,645.4653,10.770997,0.151648226,0.157558728,0.042230684,0.149864016,0.086384043,0.027181215,0.163635807,-0.044135344,-0.035829826,-0.054043681,0.000237282,-0.135377118,0.072381933,-0.119258326
228,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.569016",528.3299,12.569016,1.766674391,1.518100946,2.118987592,1.6371197,1.988990719,1.611027825,1.924736252,2.280111015,2.001864343,2.612054414,2.163329353,2.43611651,2.078248918,2.410258946
229,C31 H50 O P,C31 H50 O P,469.3609,11.135008,0.248642171,0.237130706,0.155227928,0.263669187,0.164597201,0.065782974,0.249308019,-0.093018521,-0.08170342,-0.106517239,-0.053933425,-0.174310687,0.016804218,-0.163825288
230,C46 H89 N O11 S,C22 Sulfatide,863.617,12.478023,0.056204463,0.004093917,0.247040079,0.06377152,0.069312706,0.210411428,0.062027476,0.084150954,0.059945253,0.113027931,0.142927083,-0.02212113,0.18451128,0.019444955
231,C12 H12 N4,MeIQ,212.1049,5.3140006,0.405856218,0.510632438,0.251204741,0.493651819,0.442379789,0.311069112,0.476223168,-0.371543016,-0.496109511,-0.222937373,-0.351901918,-0.404342088,-0.303545474,-0.415383537
232,C38 H67 N O P S,C38 H67 N O P S,616.467,16.364012,1.280185259,1.453025956,0.951550412,1.227683817,1.318818444,1.347885678,1.181892402,-1.232475183,-1.542672203,-0.86241558,-1.129254437,-1.418381113,-1.313037271,-1.180533838
233,C13 H26 O8,C13 H26 O8,310.1625,4.913991,0.020836392,0.352201837,0.476541252,0.189004992,0.068949099,0.041516557,0.028847745,0.011316855,-0.236408588,0.306848963,0.052446936,-0.027521578,-0.068044956,0.062484339
234,C16 H30 O5,"10-hydroxy-hexadecan-1,16-dioic acid",302.2099,10.01799,0.113197873,0.047809531,0.276222428,0.072959899,0.111439754,0.058139078,0.156742357,0.131058876,-0.020704202,0.312109565,0.133408225,0.143226656,0.055567521,0.179730934
235,<none>,<none> Esi+5.7600074,462.7203,5.7600074,1.358972258,1.540560525,1.250996222,1.385468029,1.372428362,1.515150433,1.327622329,1.500239174,1.693578082,1.26958925,1.482289403,1.516534933,1.575456436,1.451743835
236,C40 H64 O13,Polypodoside C,752.4326,13.548024,0.259040837,0.015918661,0.656167568,0.273103946,0.253865911,0.266568534,0.283231656,0.42016791,0.134047593,0.761504428,0.47667568,0.317507719,0.367345752,0.454224301
237,C13 H26 N O4,(?)-Hexanoylcarnitine,259.1785,5.620983,0.716831026,0.833789866,0.458089042,0.686182078,0.809227647,0.69267057,0.691667941,0.557762347,0.71704279,0.367743574,0.534711622,0.600000101,0.556838272,0.558358133
238,C19 H38 N O4,Dodecanoylcarnitine,343.2721,10.145997,0.152151286,0.120015631,0.204803977,0.284273316,0.047694469,0.427505937,0.060449144,0.106146843,0.129268343,0.078563298,0.229769922,-0.070637634,0.294599802,-0.015355723
239,C22 H28 O8,Citreoviridinol A1,420.1738,6.349985,1.475528646,1.421197629,1.409808567,1.460736863,1.353237552,1.301140753,1.486769794,-2.058022055,-2.16412716,-1.931440527,-1.931581879,-2.22328286,-1.988818704,-2.102640006
240,C18 H18 O5,7-Hydroxyenterolactone,314.1156,11.604003,0.156490817,0.174600777,0.054673703,0.031348031,0.219314741,0.145197802,0.134695584,-0.07551208,-0.131585931,-0.008616961,-0.072271098,-0.093374125,-0.074139306,-0.076397158
241,C35 H64 O10,C35 H64 O10,644.4495,14.222966,0.268870267,0.428858367,0.019393111,0.307835749,0.204461041,0.3054869,0.171573454,-0.19612792,-0.394710156,0.040777204,-0.215283535,-0.177269015,-0.277487626,-0.14367232
242,C23 H44 N O6,hexadecanedioic acid mono-L-carnitine ester,412.2823,14.330023,0.407697718,0.562658618,0.139381001,0.40510304,0.327642825,0.324943799,0.381555224,-0.327569656,-0.495620569,-0.127087865,-0.326274986,-0.324732453,-0.325564698,-0.328862327
243,C11 H22 N O4,O-butanoyl-carnitine,231.1466,3.3309948,0.452791115,0.553108484,0.233206657,0.532553716,0.44760804,0.332225233,0.497634624,0.283035787,0.460167963,0.071720208,0.373766683,0.187726763,0.248530367,0.305282703
244,C21 H34 N4 O4,Phe Lys Leu,406.2613,10.270997,0.510155839,0.469845232,0.458913898,0.30854299,0.690069513,0.388261985,0.577377366,0.681136179,0.677422161,0.685566937,0.363978185,1.022401412,0.430001136,0.843052193
245,C12 H20 O5,"Polyethylene, oxidized Esi+6.0760107",244.1311,6.0760107,0.486288389,0.300593199,0.665661164,0.400430791,0.454947467,0.392116615,0.502705884,0.404046358,0.26162379,0.573953983,0.412208478,0.363986617,0.367806094,0.427411792
246,C41 H80 N13 O2 P S,C41 H80 N13 O2 P S,849.6009,11.814963,0.178318633,0.098008421,0.367237202,0.129991486,0.268608484,0.314095018,0.181172687,0.142300195,0.118100459,0.171170054,0.163815484,0.085561219,0.241289153,0.078478366
247,C15 H22 O6,"3,7,8,15-Scirpenetetrol",298.1417,6.1450114,0.073138163,0.125660134,0.138845845,0.062252461,0.016919428,0.122747162,0.043454106,-0.029455733,-0.07653545,0.026709542,-0.068286261,0.02415699,-0.138135344,0.040614015
248,C11 H20 N2 O3,L-isoleucyl-L-proline,228.147,1.0489992,1.252604334,1.351744117,0.952187044,1.18346152,1.356221889,1.492335447,1.087823425,0.701777873,0.977424878,0.372935833,0.696706506,0.719160795,0.863186559,0.597711747
249,C14 H22 N3 O5,C14 H22 N3 O5,312.1547,6.426016,1.549866043,1.49192112,1.471878505,1.381297951,1.665466076,1.48352271,1.554149455,1.467583604,1.502378989,1.42607332,1.394788275,1.546103415,1.530344618,1.427119265
250,C35 H56 O8,3-Epipapyriferic acid,604.3992,12.33698,0.104385932,0.024605657,0.314759549,0.053614175,0.241141495,0.169780944,0.178913676,0.103450505,0.078250785,0.133513327,0.119511388,0.062850626,0.150819068,0.072910247
251,C24 H40 O8,C24 H40 O8 Esi+13.431961,456.2726,13.431961,0.507349184,0.21171684,0.748094459,0.414050802,0.514581307,0.377924491,0.537376336,0.387518373,0.172240244,0.644341404,0.309569939,0.493995051,0.270159392,0.463184032
252,C11 H20 O5,C11 H20 O5,232.131,6.392983,0.22400068,0.061916894,0.332546069,0.080619745,0.304204945,0.135358409,0.261358679,0.171811101,0.067843275,0.295842894,0.088883716,0.270298596,0.098133358,0.219313856
253,C14 H18 N2 O2,C14 H18 N2 O2,246.1376,4.249009,0.172949215,0.003145656,0.385338342,0.336871737,0.033118583,0.218701663,0.071071603,-0.057280604,0.240962952,-0.413079934,-0.08522992,0.044221251,0.037878712,-0.118633321
254,C49 H93 O12 P,PI(P-20:0/20:1(11Z)),921.6543,12.9350395,0.010767694,0.072853952,0.250267367,0.035343484,0.134974106,0.159639822,0.044284149,0.066950184,0.025628063,0.116246749,0.096153787,0.004308368,0.165162505,0.003629082
255,C50 H87 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",877.6314,13.038023,0.006291847,0.092934642,0.237890676,0.056399569,0.118935703,0.133488267,0.035031219,0.060947086,0.019346805,0.110575492,0.087799405,0.00211389,0.153857644,0.001044226
256,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide,452.1603,11.021978,0.743089471,0.570540608,1.132399197,0.777865791,0.83014374,0.477446001,1.091879776,0.215651981,0.189707585,0.246603189,0.216231829,0.213338989,0.157181011,0.253350369
257,C8 H6,C8 H6,102.0471,2.6770017,0.061678037,0.193480303,0.090822881,0.041509645,0.199475546,0.089241431,0.035984077,-0.021224658,0.040181042,-0.09448058,-0.039504362,0.022388876,0.002146061,-0.036292622
258,C15 H24 O6,C15 H24 O6 Esi+8.943984,300.1573,8.943984,0.454301612,0.598667737,0.173651281,0.486201698,0.350597609,0.293063408,0.492538844,-0.421505744,-0.580560515,-0.231756193,-0.433632593,-0.38083112,-0.35542211,-0.464112298
259,C17 H26 O5,Valdiate,310.1756,9.28898,0.199411503,0.266890706,0.137486283,0.242037986,0.165860822,0.173313918,0.184239776,-0.163231326,-0.242962141,-0.068113862,-0.193911609,-0.136147491,-0.203417508,-0.137321814
260,C48 H93 N O12 S,3-O-Sulfogalactosylceramide,907.6434,12.375981,0.148772919,0.0770469,0.354396714,0.102245336,0.236578979,0.294105754,0.15404691,0.132540576,0.110791128,0.158487285,0.160379229,0.06737012,0.23668939,0.065391998
261,C17 H43 N21 O,C17 H43 N21 O,557.3958,12.54704,0.407026021,0.276605223,0.628002716,0.338631547,0.447533948,0.394849734,0.467083856,0.242169593,0.198675328,0.29405749,0.232286983,0.239124796,0.250073108,0.237073907
262,C30 H36 O4,Sophoranone,460.2676,10.353022,1.551358179,1.442995067,1.667862315,1.571825557,1.486367525,1.58155805,1.540272452,2.055429599,1.980074921,2.145326406,2.122278368,1.927829225,2.129777923,2.007494494
263,C19 H32 O8,Dihydroroseoside,388.2096,9.525984,0.600598308,0.595381465,0.503871873,0.527423518,0.654484322,0.316399854,0.677390835,-0.508012446,-0.590271823,-0.409878453,-0.365844469,-0.710025354,-0.265312165,-0.664490259
264,C28 H50 O10,C28 H50 O10,546.3487,12.031005,1.180525296,0.867338327,1.737402836,0.970541314,1.682380271,0.904407849,1.496355892,1.657521751,1.203435963,2.199238129,1.299849278,2.120217152,1.226458793,1.935443921
265,C40 H50 O2,Rhodoxanthin,579.4085,12.459977,0.19603489,0.28681001,0.061012848,0.295540764,0.013797734,0.1322861,0.116024411,-0.029022159,-0.071202558,0.021298318,-0.016143561,-0.062358296,0.017200171,-0.058823398
266,C32 H51 N2 O5,C32 H51 N2 O5,543.3791,14.959974,1.576382202,1.756397219,1.372721771,1.666331167,1.551228724,1.685228024,1.528817587,-1.414149115,-1.72098474,-1.048099597,-1.350200623,-1.52913779,-1.395731274,-1.426023776
267,C21 H40 N O4,cis-5-Tetradecenoylcarnitine,369.2875,10.709979,0.446625895,0.460686247,0.493528717,0.640356462,0.316213378,0.714128795,0.36596403,0.384074589,0.407843117,0.355719153,0.469425196,0.253492997,0.504296539,0.306563069
268,C19 H32 O9,Pisumionoside,404.2048,8.454981,0.707748118,0.604687646,0.779568995,0.661107616,0.700202375,0.849530319,0.561411532,0.793150777,0.704709275,0.898659938,0.750691548,0.819500497,0.920197917,0.711238806
269,C16 H29 N5 O5,Pro Lys Gln,371.2145,5.199996,0.212980261,0.477891694,0.143737805,0.022656963,0.385158876,0.102603592,0.497032429,-0.128820997,-0.275863502,0.046598132,-0.088143889,-0.154260351,-0.043988875,-0.183515391
270,C10 H20 N6 O4,Asparaginyl-Arginine,288.1566,9.113014,0.007416435,0.097234071,0.116066238,0.020188098,0.084334639,0.07149305,0.012859021,0.020275875,-0.062869105,0.119466377,-0.037368868,0.084470315,0.012342726,0.025390668
271,C30 H48 O10,Deoxycholic acid 3-glucuronide,568.3262,12.007013,1.723406573,1.553210275,2.031081438,1.562975185,2.070597106,1.587662361,1.916096918,2.418449535,2.094791179,2.804568276,2.146594908,2.767816539,2.058778857,2.650342473
272,C22 H41 N O7,Sphingofungin D,431.293,11.115984,0.168076822,0.022629919,0.381901857,0.00521872,0.299390095,0.280549379,0.13140629,0.128524504,0.098999973,0.163746751,0.118213065,0.114144591,0.227132331,0.064948405
273,C28 H40 O10,"Desacetyl (7)Khivorinic Acid, Methyl Ester Esi+7.1190114",536.2573,7.1190114,0.377134251,0.257056276,0.451832783,0.406465035,0.200976014,0.463183629,0.297506825,0.36146209,0.316841099,0.414694149,0.478604672,0.164799106,0.509329565,0.266126481
274,C26 H34 F N3 O,RO 40-5966 (Methylmibefradil Metabolite),445.2515,4.9930015,0.381992709,0.329147314,0.329008431,0.337249379,0.329594611,0.504145594,0.21734412,0.347671675,0.361855425,0.330750709,0.355231948,0.329525277,0.38984395,0.320481655
275,C20 H38 O6,C20 H38 O6,374.267,11.259017,1.102339111,0.866705149,1.300654719,0.858799802,1.305086859,0.877897685,1.218763153,0.69189188,0.532347783,0.882225188,0.567194738,0.843612838,0.598012212,0.75241956
276,C33 H63 O7 P,PA(P-16:0/14:1(9Z)),601.4217,12.395016,0.294647156,0.387892048,0.020510064,0.430025759,0.052569004,0.263430207,0.195255668,-0.064034825,-0.110862066,-0.008170748,-0.05604009,-0.090741713,-0.023667289,-0.090061263
277,C54 H95 N O13,FMC-5(d18:1/20:0),965.6834,12.826978,0.090427553,0.007211595,0.334890934,0.020107939,0.224139431,0.195266431,0.129480076,0.111978124,0.064140446,0.169047634,0.13114765,0.06236895,0.194159367,0.058992848
278,C42 H79 O8 P,"PA(22:2(13Z,16Z)/17:0)",742.5508,14.785962,1.678246695,1.694478055,1.497167543,1.486074471,1.939008747,1.623763456,1.701282308,-2.58869321,-2.714866935,-2.43817017,-2.14158663,-3.184445419,-2.560062479,-2.607152498
279,C27 H48 O9,"27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol",516.3299,12.383036,0.522961377,0.42221251,0.623048533,0.543030093,0.443937557,0.604902487,0.446593631,0.653310309,0.568553213,0.754424037,0.740446916,0.52424392,0.762764845,0.582740937
280,C23 H36 N6 O5 S,Argatroban,508.2485,5.8409863,0.403973005,0.223529698,0.498776341,0.615854279,0.215800935,0.600482416,0.136903379,0.314381347,0.270473963,0.366762086,0.395091256,0.230109296,0.391439826,0.264698906
281,C45 H88 N O10 P,PS(17:0/22:0),833.6062,13.156986,0.043256569,0.123425573,0.19941969,0.098648197,0.094280172,0.093308284,0.006228458,0.039040625,-0.000489388,0.086199237,0.063674421,-0.014525942,0.127435552,-0.017950841
282,C32 H46 N8 O5,NAc-FnorLRF-amide,621.3554,5.781005,0.247795128,0.192193155,0.186290697,0.108915003,0.421239427,0.303588556,0.131375013,0.189555713,0.202619449,0.173970904,0.088083958,0.345483385,0.158512998,0.209570095
283,C26 H53 N O6 P,"PC(O-18:2(9Z,12Z)/0:0)[U]",506.3615,12.177001,0.10060862,0.207045952,0.175209968,0.1988301,0.08068725,0.037377229,0.019707184,0.005190562,-0.041913883,0.061385338,0.010467641,-0.01973379,0.047019864,-0.02177833
284,C14 H19 N2 O,C14 H19 N2 O,230.1566,7.408,1.609499796,1.462151262,1.627195809,1.60596622,1.442276966,1.438070942,1.566136815,2.375093629,2.236083726,2.540930003,2.23099071,2.5379159,2.215834556,2.477773821
285,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.224984,228.1364,7.224984,0.467374088,0.260384907,0.625016767,0.320937811,0.532131064,0.366901751,0.511279608,0.39796219,0.283792637,0.534164464,0.336890399,0.472311515,0.337638342,0.436855197
286,C25 H45 N12 O P,C25 H45 N12 O P,560.3612,12.5129595,0.347298443,0.414729819,0.254746015,0.389935513,0.325172667,0.608347605,0.189421273,0.280088642,0.343157371,0.204848755,0.330798999,0.197475671,0.504529479,0.135383366
287,C20 H23 N,C20 H23 N,274.1415,8.81497,0.060529862,0.127696248,0.283445689,0.055314437,0.080414355,0.141378375,0.007354323,0.043004105,-0.04709662,0.150492689,0.042547163,0.051323579,0.071211082,0.024818028
288,C37 H73 N O8 P,PC(18:0/11:1(10E)),689.4914,10.718995,0.034873836,0.059371662,0.078192815,0.083040831,0.06777234,0.099140801,0.006299679,0.008244062,0.012821393,0.002783386,0.037596227,-0.062293616,0.104719638,-0.053957296
289,C43 H70 O13,Hebevinoside III,794.4792,14.114012,0.144437751,0.321230147,0.17463295,0.155307477,0.097552822,0.096740738,0.108137635,-0.090015868,-0.366478978,0.239799773,-0.081722535,-0.133278309,-0.113995341,-0.074555418
290,C25 H40 N2 O6 S,"14,15-LTD4 Esi+10.939964",496.265,10.939964,2.136390179,2.017450968,2.274451058,2.127102545,2.185350573,2.094422169,2.204899533,3.314905726,3.182926977,3.472354059,3.332862286,3.252706273,3.283421637,3.335204679
291,C16 H29 N5 O5,Pro Lys Gln Esi+5.197012,371.2146,5.197012,0.111355308,0.345031788,0.194606996,0.09120675,0.279647547,0.189104932,0.371600644,-0.060446941,-0.18585869,0.089167075,-0.016743416,-0.088047026,0.035739115,-0.122461636
292,C35 H52 O4,Hyperforin,535.3826,12.642025,0.204932912,0.311448917,0.082457304,0.322423738,0.004476968,0.166894349,0.095953184,-0.03817036,-0.083248814,0.015607445,-0.029235593,-0.064803568,0.00072605,-0.063248308
293,C23 H38 O8,C23 H38 O8,442.2562,10.952974,0.031941455,0.205543953,0.199867662,0.101806595,0.006132407,0.032862938,0.048740926,0.02753982,-0.216768267,0.318995082,0.037267066,-0.000535835,0.079501581,-0.005961841
294,C28 H50 O10,C28 H50 O10 Esi+12.031005,546.3487,12.031005,1.31904533,1.064354685,1.840949904,1.15871354,1.754980176,1.091982491,1.584138169,1.607158982,1.224610006,2.063533198,1.305461132,1.998756048,1.302339222,1.803687511
295,C40 H78 N O9 P,PS(P-20:0/14:0),747.5332,11.31201,0.106624418,0.056349093,0.206210723,0.049559645,0.122660897,0.295159574,0.033915346,0.098462223,0.099846573,0.096810719,0.134092394,0.020479683,0.237607681,0.00875002
296,C9 H18 N2 O,C9 H18 N2 O,170.1421,6.697014,0.434286423,0.488571464,0.382954491,0.492747049,0.381652109,0.482791473,0.391153913,-0.127436975,-0.135179152,-0.118200694,-0.112940715,-0.147126311,-0.108823037,-0.139438067
297,C34 H62 N6 O4,C34 H62 N6 O4,618.4831,16.876966,0.350260505,0.402340377,0.194900396,0.321011881,0.259860903,0.289925391,0.286258404,-0.257357472,-0.393901416,-0.094462942,-0.24624863,-0.273675357,-0.281605109,-0.241724128
298,C32 H56 O5,C32 H56 O5,520.4132,16.159962,1.299380139,1.434281016,0.968460085,1.35212113,1.154110071,1.146060413,1.304482652,-0.990494586,-1.220227696,-0.716427016,-0.924328441,-1.095994221,-0.818672843,-1.101274395
299,C32 H50 O8,Baliospermin,562.3492,15.187989,0.249671546,0.062108674,0.509832927,0.26724584,0.219036413,0.323390249,0.252710132,0.290884273,0.157092183,0.450495889,0.334574704,0.226147011,0.360128576,0.246239919
300,C8 H16 O6,Dambonitol,230.0761,1.2070006,0.050233131,0.048603784,0.113161035,0.057525904,0.185314196,0.107932856,0.134434255,-0.138475411,-0.114830188,-0.166683748,-0.2701852,0.042446128,-0.222077695,-0.084573939
301,C6 H11 N O,2-Acetylpyrrolidine Esi+3.755004,113.084,3.755004,1.025593323,0.941768842,1.025094937,0.828237008,1.218478705,0.68487162,1.146513686,0.876602046,0.894964037,0.854696513,0.732003633,1.058439936,0.673525468,1.007532997
302,C45 H70 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]",690.5228,14.670963,2.109852043,2.324222363,1.928512662,2.342582294,2.032566245,2.352848365,2.038791468,-0.941439961,-0.982026058,-0.893021459,-0.956552656,-0.915585699,-0.952939271,-0.934025932
303,C25 H48 N6 O8,Deferoxamine Esi+12.416014,582.3391,12.416014,2.463515814,2.290906524,2.587780231,2.404913773,2.516398688,2.290612943,2.539397563,4.084430271,3.793656001,4.431318874,3.951764869,4.242268292,3.821293309,4.254084365
304,C45 H74 O10,Oligomycin C,791.5593,11.248025,0.210221037,0.157780238,0.331011045,0.129146681,0.273452371,0.339760473,0.184535428,0.149426556,0.155096648,0.142662236,0.172629087,0.086748704,0.266907901,0.073682005
305,C20 H32 N6 O7,C20 H32 N6 O7,468.2335,10.072999,1.185930953,1.095445955,1.325354407,1.205579734,1.187026968,1.403404141,1.106959839,1.948014171,1.867944193,2.043536251,1.980900164,1.866026731,2.168864152,1.805624052
306,C28 H52 O5,C28 H52 O5,468.3814,14.952948,1.754299459,1.931812508,1.548895159,1.862267051,1.663156787,1.824440489,1.728788194,-1.492469012,-1.78990695,-1.137630769,-1.461864067,-1.553889845,-1.424922006,-1.536019055
307,C29 H45 N O3,Ecalcidene,455.3455,10.232989,0.439211131,0.404828835,0.396437604,0.464973772,0.351510814,0.263261118,0.440736847,-0.198576997,-0.172868955,-0.22924624,-0.167848897,-0.267649588,-0.091416267,-0.267667467
308,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide,314.2092,9.285003,2.283814222,2.213394821,2.400976922,2.265105964,2.406897315,2.093599914,2.44289549,3.054692489,2.735417332,3.435582151,2.815412833,3.360425653,2.767378809,3.239934205
309,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one",484.3484,12.26296,0.346509256,0.378205052,0.145908811,0.409718473,0.161086841,0.199462452,0.284644055,-0.090912082,-0.118065081,-0.05851903,-0.071108203,-0.135555797,-0.01959144,-0.136895127
310,C15 H23 N O2,Nupharidine,249.1703,9.160001,0.062415405,0.200002683,0.201117016,0.107415811,0.101180941,0.340546849,0.109321068,-0.166795767,-0.182764225,-0.147745677,-0.314556244,0.047245193,-0.352326927,-0.047176994
311,C17 H27 N O4,Metipranolol,309.1932,7.3699956,0.003893733,0.169407312,0.134683715,0.034376622,0.105045552,0.200128001,0.099267905,0.032101578,0.013973639,0.053727891,0.07044727,-0.023644908,0.002941381,0.050902231
312,C38 H75 N O7 P,PC(P-16:0/14:1(9Z)),687.5097,12.986021,0.104523908,0.154132938,0.080109152,0.164979818,0.033002378,0.042595578,0.062625249,0.002013414,-0.019616933,0.027818039,0.025569414,-0.050427993,0.096780093,-0.059086156
313,C17 H36 O8,C17 H36 O8,368.2405,5.8979893,0.087090476,0.157060058,0.479989556,0.097881954,0.162274656,0.165611314,0.261389584,-0.069361994,0.071550116,-0.237467668,-0.031085359,-0.141056614,0.087106199,-0.170242802
314,C15 H22 N O4,Feruloylcholine,279.1463,4.888999,0.454336822,0.508420565,0.484889818,0.700804551,0.248164394,0.868561688,0.24579436,-0.430533356,-0.413803544,-0.450491728,-0.525686892,-0.311208459,-0.593531838,-0.325442229
315,C27 H38 O4,Azafrin,426.2823,6.583007,0.143804432,0.109231167,0.539437883,0.164104687,0.194417908,0.130107251,0.316935388,-0.09342136,0.056675196,-0.272483918,-0.053794369,-0.169635689,0.07632514,-0.202863182
316,C30 H46 O8,Ganoderic acid L,534.3175,14.617974,0.382452224,0.174124193,0.654382844,0.378444655,0.360983091,0.429668432,0.388521762,0.397597421,0.263237248,0.55788675,0.430502695,0.347110796,0.437812761,0.37166911
317,C24 H42 O9,C24 H42 O9,474.2828,10.941981,2.207653594,2.141055501,2.339863892,2.262892148,2.256272326,2.222957256,2.26897157,2.92938451,2.853680229,3.019698389,2.965365543,2.844578698,2.941457784,2.921600425
318,C14 H20 O5,Kamahine C Esi+7.119012,268.1287,7.119012,0.650873115,0.572153607,0.70718186,0.687282485,0.513879401,0.688776466,0.567347716,0.410426579,0.385772566,0.439838383,0.452951214,0.334086828,0.454470216,0.382030023
319,C15 H28 O5,6-Hydroxypentadecanedioic acid,288.1935,9.2889805,0.130270881,0.238491363,0.036851194,0.207276502,0.081348517,0.132329794,0.11123254,-0.1182917,-0.234204421,0.019990142,-0.175347802,-0.054857569,-0.173589554,-0.082639136
320,C26 H48 N2 O3,C26 H48 N2 O3,436.3663,12.351012,1.424107484,1.600436342,1.030681481,1.363286726,1.507414165,1.543209573,1.384349215,-0.819306687,-0.989954237,-0.615727153,-0.781968197,-0.87758615,-0.874315687,-0.783840358
321,C35 H56 N3 O11,C35 H56 N3 O11,694.39,13.273987,0.159245296,0.210791563,0.050344074,0.059301804,0.266274108,0.062287252,0.249398973,-0.082631366,-0.209531353,0.068758093,0.05803036,-0.29459144,0.077253284,-0.18571489
322,C31 H54 O9,C31 H54 O9,570.378,13.16302,2.021815923,1.862355868,2.089848808,2.032403269,1.924502348,1.819295046,2.081521355,2.747746216,2.513864056,3.026763531,2.755965531,2.721269739,2.544059017,2.879070858
323,C20 H49 N19 P,C20 H49 N19 P,586.4162,12.948979,0.391262315,0.515791594,0.079392165,0.558378994,0.143987572,0.361866694,0.264508104,-0.121362992,-0.166769306,-0.067194057,-0.122991444,-0.131087095,-0.075440407,-0.150970975
324,C19 H24 N2 O3,Gelsedine,328.178,5.829991,1.075677839,0.951870822,1.194150268,1.114939694,1.158193221,1.177392582,0.970554074,0.74432309,0.623130489,0.888903738,0.620776431,0.917570758,0.669604727,0.792496772
325,C23 H32 N4 O4,Nummularine F Esi+12.697999,428.2413,12.697999,1.67243738,1.374337314,2.045008202,1.598575539,1.811838038,1.576791803,1.77437552,1.518345628,1.263593489,1.82226046,1.422502168,1.65414341,1.366018411,1.616556597
326,C39 H71 O10 P,"PG(20:3(8Z,11Z,14Z)/13:0)",729.4661,14.9189625,0.536835913,0.680142524,0.248861381,0.548608499,0.374207958,0.464322256,0.448445505,-0.407383302,-0.612514885,-0.162664922,-0.378842124,-0.444383502,-0.36288169,-0.43607513
327,C9 H18 N O4,Succinylmonocholine Esi+0.8439985,203.1155,0.8439985,0.541106824,0.655111283,0.477068481,0.762956004,0.238364117,0.573522622,0.526122151,0.233677724,0.287313934,0.169690667,0.340013198,0.072000461,0.262181373,0.215300372
328,C16 H33 N8 O,C16 H33 N8 O,353.2778,11.718013,0.962744431,1.082220245,0.601160237,0.957756158,0.911564945,0.856579274,0.923732371,-0.346580719,-0.450773952,-0.222280021,-0.32627909,-0.379669997,-0.342985962,-0.348898392
329,C30 H55 N O8,C30 H55 N O8,557.3924,15.177982,1.485627648,1.608755845,1.136663518,1.551897919,1.313044087,1.425531173,1.429638135,-1.351709662,-1.57746906,-1.082382661,-1.277765569,-1.441800974,-1.245208676,-1.420374771
330,C20 H32 N6 O7,C20 H32 N6 O7 Esi+9.884013,468.2335,9.884013,1.488629976,1.319534605,1.661443404,1.325723781,1.574715983,1.455687041,1.475483007,2.015199388,1.829512458,2.236720638,1.932235427,2.110389859,1.975828309,2.040583373
331,C2 H6 Cl O3 P,Ethephon,143.9747,1.2980018,0.214984035,0.360315359,0.206977719,0.187891233,0.125472021,0.191562779,0.107331102,-0.270828625,-0.551918622,0.06450681,-0.309680696,-0.194482685,-0.336340323,-0.228590819
332,C26 H36 O4,Boviquinone 4,412.2661,6.077017,0.076680042,0.155739208,0.454274627,0.077047447,0.168865621,0.195809505,0.277571644,-0.06301432,0.073897226,-0.226347393,-0.022335803,-0.137622021,0.099059426,-0.167509235
333,C16 H34 O8,C16 H34 O8,354.2247,5.41199,0.261009594,0.013060661,0.639278048,0.315691885,0.35189478,0.145252633,0.383484469,-0.127665657,0.002905631,-0.283434913,-0.090349379,-0.197748996,-0.0160929,-0.199600724
334,C35 H67 O8 P,Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate,645.4472,12.249019,0.276036138,0.394610312,0.014581041,0.392469612,0.098111722,0.212254763,0.221577702,-0.040883783,-0.110730395,0.042442,-0.030407029,-0.07411123,0.004772543,-0.070320099
335,C21 H52 N16 O5,C21 H52 N16 O5,608.4291,12.885009,0.324565994,0.456460599,0.019719791,0.50561467,0.057428089,0.32112618,0.202591002,-0.073898512,-0.129056947,-0.008095468,-0.080224975,-0.078656727,-0.044123283,-0.0930957
336,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide,311.1517,11.653008,0.119869136,0.199370277,0.110132273,0.196285766,0.016300416,0.139169908,0.015600592,-0.006727321,-0.142449635,0.155187018,0.046476872,-0.080306585,-0.00030939,-0.010865198
337,C23 H38 O8,C23 H38 O8 Esi+13.142028,442.2568,13.142028,0.888146168,0.587672938,1.105812367,0.676364175,1.03636214,0.675925122,0.960828972,0.906616313,0.663289638,1.196900767,0.724881591,1.173586218,0.649502255,1.072387218
338,C19 H48 N16 O5 P,C19 H48 N16 O5 P,608.3535,13.172042,1.865678776,1.670787275,1.906892293,1.733623448,1.865241715,1.636366437,1.931378207,1.891565017,1.777068814,2.028156978,1.840567892,1.955031345,1.766153198,1.972422637
339,C28 H33 N12 O P,C28 H33 N12 O P,580.232,16.260988,0.625239915,0.614193887,0.622117511,0.854446088,0.374044929,0.636421158,0.563843719,-0.385628774,-0.318840792,-0.465305665,-0.551021512,-0.173888567,-0.322860074,-0.426098068
340,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z)) Esi+11.8500185",519.3395,11.8500185,0.542218447,0.679495925,0.213985488,0.664002889,0.36949259,0.519791157,0.458807531,-0.290925772,-0.49478732,-0.047722521,-0.29563335,-0.301756268,-0.283765103,-0.295542518
341,C30 H48 O7,22-epi-Hippurin-1 Esi+5.3890023,519.3246,5.3890023,0.389750683,0.386415944,0.278646643,0.553195566,0.19509757,0.566787872,0.217645667,0.271727051,0.315868131,0.219067518,0.324319318,0.215314811,0.347011436,0.223188435
342,C43 H84 N O9 P,PS(P-20:0/17:0),789.58,13.284974,0.136839961,0.210940896,0.109831177,0.198230749,0.022896417,0.006573626,0.070980358,-0.005307623,-0.04609328,0.04334895,0.017742544,-0.055780865,0.07961911,-0.060063017
343,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide,482.249,10.480977,1.621764556,1.614393143,1.684249921,1.586632941,1.670033141,1.77499187,1.568060818,2.029968886,2.0379527,2.020444336,2.151107204,1.842155757,2.23349746,1.898746516
344,C33 H64 Cl2 N6,C33 H64 Cl2 N6,614.4516,15.12402,1.013352404,1.105687744,0.694448741,0.950462536,0.908716543,0.825020749,0.976950139,-0.842276035,-1.044121158,-0.601478345,-0.789484036,-0.92026643,-0.805118541,-0.866232841
345,C11 H20 N2 O3,L-isoleucyl-L-proline Esi+1.7510048,228.147,1.7510048,1.059336965,1.378196274,0.420864694,0.91724857,1.204368718,1.101047551,0.939871087,0.590910095,0.931078328,0.185095361,0.506684053,0.715293314,0.662154212,0.544976388
346,C23 H38 O8,C23 H38 O8 Esi+10.65201,442.2563,10.65201,0.429107454,0.544689664,0.204893456,0.463376104,0.363895615,0.291954442,0.460769751,-0.503759827,-0.713250192,-0.253841496,-0.496058253,-0.529442816,-0.433206558,-0.549248118
347,C50 H95 O13 P,PI(22:1(11Z)/19:0),951.6691,12.264973,0.151830302,0.072221957,0.355598583,0.090899081,0.251097185,0.273249099,0.16219759,0.138710656,0.111328056,0.171377618,0.162831413,0.079381293,0.236832359,0.075447979
348,C47 H77 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",800.5284,14.458007,0.665837235,0.791389934,0.357475438,0.652989456,0.556134369,0.577885438,0.615952995,-0.731001072,-1.0181795,-0.388402247,-0.697691314,-0.799856395,-0.745799679,-0.721459865
349,C8 H Cl2 N2 O4 P S4,C8 H Cl2 N2 O4 P S4,417.7928,11.179999,0.169313133,0.14360345,0.243885494,0.150019237,0.177671707,0.34338672,0.121919425,0.126945777,0.139150151,0.112386173,0.166594992,0.040638082,0.252038455,0.046293919
350,C32 H54 N3 O5,C32 H54 N3 O5,560.4055,14.960988,1.559014204,1.728235613,1.351000562,1.618143168,1.521855943,1.630887883,1.512534412,-1.375660029,-1.70044214,-0.988200668,-1.357705191,-1.428017532,-1.423854262,-1.344587431
351,C19 H29 F O3,9a-Fluoro-B-hydroxyandrosterone,324.2145,5.6939807,0.250189711,0.027327819,0.575629328,0.229670734,0.283767963,0.037226101,0.360451786,-0.151375649,-0.015648989,-0.313295174,-0.086761696,-0.249852709,-0.006953523,-0.244489915
352,C33 H55 N2 O S,C33 H55 N2 O S,527.4028,11.887961,0.008999709,0.04703084,0.155217743,0.024185196,0.076521564,0.153236981,0.012030259,0.032896662,0.019638186,0.048713792,0.065318559,-0.037063681,0.129762382,-0.029556236
353,C9 H20 O3,2-Hexylglycerol,176.143,6.9549856,0.120924125,0.229920296,0.410233168,0.208419205,0.119306442,0.40074977,0.385023843,0.045897938,-0.059240877,0.171326701,0.042763937,0.059263056,-0.102549511,0.141607478
354,C22 H28 F2 O5,Diflorasone,410.1919,9.3299885,0.68737113,0.670314333,0.61071136,0.600403931,0.692417944,0.408554157,0.755759541,-0.849880415,-0.943859012,-0.737765599,-0.751052764,-0.997267949,-0.663271366,-0.970194145
355,C35 H61 N O8,Antibiotic TA,622.4233,12.310038,0.362077268,0.477129269,0.088467929,0.537906577,0.095392039,0.333886645,0.258983352,-0.102346536,-0.160487666,-0.032985187,-0.109940373,-0.10926688,-0.067506316,-0.124809309
356,C40 H48,Isorenieratene/ (Leprotene),528.3747,12.126972,0.923274188,0.77629953,1.048281683,0.914936106,0.779801277,0.922328774,0.921615913,0.500703745,0.450511441,0.560582284,0.499555559,0.483985105,0.531606429,0.480779646
357,C24 H51 N O7 P,PC(16:0/0:0)[rac] Esi+12.731993,513.3689,12.731993,0.373219811,0.485110175,0.125760282,0.531099802,0.140511929,0.340906357,0.258723969,-0.114394243,-0.155272331,-0.0656274,-0.113001715,-0.130274863,-0.070769499,-0.142520722
358,C27 H46 O8,C27 H46 O8 Esi+14.336971,498.3198,14.336971,0.110260618,0.129321448,0.413759594,0.065350688,0.143451392,0.073644575,0.172525375,0.127375304,-0.079933701,0.374691309,0.10163733,0.161102578,0.064468635,0.167933551
359,C28 H44 O5,Polyporusterone G,477.3402,11.657976,0.294954673,0.374030638,0.084639118,0.432995498,0.1029068,0.202158441,0.229935902,-0.092650946,-0.124867245,-0.054217467,-0.098049333,-0.107638341,-0.030666072,-0.132614878
360,C17 H46 N19 O3,C17 H46 N19 O3,564.4034,13.030025,0.411694683,0.536696527,0.097233798,0.567984837,0.158983039,0.386311686,0.287659015,-0.115819306,-0.166739197,-0.055072769,-0.113678127,-0.130813621,-0.080089339,-0.138855731
361,C14 H30 O7,C14 H30 O7,310.1987,5.177988,0.069433341,0.160436229,0.447035777,0.06109465,0.227292744,0.126846174,0.255516877,-0.076223906,0.055764605,-0.233683885,-0.020549135,-0.168191957,0.06740094,-0.168824136
362,C30 H48 N2 O4,Vicenistatin,499.3534,11.563982,0.365740675,0.510668707,0.080846027,0.532452768,0.214670255,0.559706156,0.259315193,-0.190919576,-0.303417355,-0.0567117,-0.200415774,-0.202830179,-0.272164255,-0.138538138
363,C20 H16 N2 O4,Camptothecin,370.0932,14.699967,1.945715114,2.020162166,1.988813067,2.06038228,1.925265548,2.010093773,1.972140248,1.468707093,1.399164746,1.551669892,1.549657559,1.386549779,1.359821942,1.538909361
364,C14 H23 N3 O6,Valclavam,329.1535,5.8990083,0.152312002,0.264238255,0.000683554,0.199104113,0.144374591,0.315855253,0.050214021,-0.194840543,-0.306553641,-0.061568777,-0.267611138,-0.104582782,-0.386427735,-0.071317222
365,C28 H57 N O7 P,PC(20:1(11Z)/0:0),550.3876,11.977032,0.522315353,0.453225905,0.649996306,0.513144194,0.462961291,0.586773167,0.527801464,0.262468772,0.267069404,0.256980299,0.296417496,0.195357447,0.333618381,0.216595999
366,C19 H28 N4 O3,LY255283 Esi+10.756011,360.2146,10.756011,2.159195927,1.985343575,2.406389709,2.04456693,2.356781981,2.014718805,2.276062004,3.110153492,2.758910866,3.529179782,2.954732903,3.33252489,2.916625918,3.234927849
367,C22 H49 N2 O14,C22 H49 N2 O14,565.318,12.029032,1.24774371,0.86183944,1.88250054,0.941805077,1.746891206,0.91789573,1.573306619,1.48638846,1.066207053,1.987657507,1.198560593,1.858517657,1.123168005,1.720570069
368,C33 H44 O2,Reticulataxanthin,472.3398,14.47405,0.454096243,0.13486804,0.786050506,0.292717197,0.549830836,0.327739869,0.5153908,0.428243137,0.200708235,0.699688283,0.354130216,0.533382493,0.339951981,0.485167698
369,C14 H24 O4,Monomenthyl succinate,256.1675,8.550021,0.017598816,0.214659003,0.19116802,0.175029418,0.153732642,0.171952151,0.093827917,-0.065573767,-0.236516714,0.138358169,-0.227290278,0.156703378,-0.255153864,0.056655505
370,C31 H59 N O4 P S,C31 H59 N O4 P S,572.3875,13.760009,0.993049811,1.125206931,0.565502111,0.898978903,0.98378823,0.883285009,0.908321499,-0.461820682,-0.591268873,-0.307391261,-0.380568323,-0.583265179,-0.470560081,-0.456186069
371,C5 H15 N4 O3 P,N4-Phosphoagmatine,210.0873,6.349985,1.579768375,1.472936699,1.560141623,1.50079148,1.570873761,1.352052425,1.626464047,-1.587185986,-1.575464623,-1.601169366,-1.412731242,-1.818656793,-1.460162036,-1.669083006
372,C41 H70 O12,Chikusetsusaponin Ia,776.468,15.877979,0.483818295,0.341872901,0.616392364,0.493606287,0.423176738,0.623763048,0.389901523,0.545050028,0.481609963,0.620732912,0.619062629,0.446694281,0.742071994,0.418022707
373,C28 H44 N2 O23,Hyaluronan,775.2234,14.806952,1.701917251,1.762036581,1.48995928,1.487287994,1.788032426,1.695674524,1.680511236,1.397758736,1.453831185,1.330865288,1.261231878,1.583011335,1.387452338,1.40440365
374,C15 H24 O6,C15 H24 O6 Esi+10.709979,300.1572,10.709979,1.051443708,1.201911969,0.732859563,1.14981292,0.84886235,1.076107436,0.868292196,-0.606095486,-0.761710414,-0.420449605,-0.607734626,-0.571501173,-0.649066213,-0.578390674
375,C25 H34 O3,Apo-12'-violaxanthal,382.2562,6.427986,0.195938586,0.044219936,0.555570697,0.201842379,0.229654755,0.059365152,0.330825476,-0.113025267,0.019518829,-0.271148047,-0.069195247,-0.194459893,0.038281322,-0.210578199
376,C33 H36 N4 O4,Canthiumine,552.2746,6.00599,0.565868346,0.390541545,0.67803368,0.695402824,0.443705826,0.769776632,0.325563778,0.408158011,0.329370389,0.502150262,0.418606576,0.380234799,0.478532079,0.362785257
377,C36 H61 O8 P,"PA(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)",651.4027,5.8310127,0.861438686,0.627505685,1.089775692,0.774068964,1.037921328,0.930031562,0.755843974,0.555465525,0.387869163,0.755405044,0.391386027,0.785811921,0.469178673,0.611097837
378,C36 H66 O6,C36 H66 O6,594.4854,16.365978,1.185049079,1.268143633,0.900571894,1.084633591,1.216118748,1.234941069,1.065123377,-1.125578281,-1.428915145,-0.763702725,-0.99356045,-1.308683057,-1.203134013,-1.075575244
379,C9 H14 N2 O,2-Methoxy-3-(1-methylpropyl)pyrazine,166.1106,1.6530057,0.247770533,0.343576921,0.15311499,0.121656931,0.862135586,0.268722447,0.249651246,0.032996154,0.048385328,0.01463714,-0.06220393,0.171114702,0.00946997,0.048164352
380,C39 H63 N5 O12,Onnamide A,810.4741,13.8100395,1.090396481,0.821994652,1.50029668,1.000006065,1.248852131,0.977267735,1.212119884,1.319340409,1.068319036,1.618804503,1.255032628,1.393717056,1.145870898,1.431182594
381,C47 H89 O12 P,PI(P-20:0/18:1(9Z)),893.6272,11.728022,0.213765214,0.135857186,0.392677619,0.143771929,0.294828213,0.319974186,0.214963394,0.159210653,0.139162788,0.183127404,0.174611522,0.107664741,0.254086279,0.098040842
382,C21 H34 O5 S,Allopregnanalone sulfate Esi+5.327015,398.214,5.327015,0.478803193,0.478011682,0.247397553,0.463255221,0.421743877,0.591838391,0.270825594,0.465819971,0.555871094,0.35839056,0.41323887,0.565300997,0.578054957,0.39345794
383,C36 H65 N O13,Erythromycin C,719.4471,13.060038,0.448974002,0.273038828,0.765075908,0.667138719,0.225207083,0.553782815,0.422620633,0.567049985,0.327741189,0.852541179,0.812218419,0.198869484,0.645795419,0.516279902
384,C21 H29 N5 O6,Trp Asp Lys,464.2388,13.138979,0.91221152,0.575637048,1.131972234,0.666174688,1.087402925,0.684713949,0.976235621,0.846842093,0.610061187,1.12931756,0.653154401,1.15402932,0.6081953,1.000706473
385,C12 H17 N O7,3-Hydroxy-N-methylpyridinium glucuronide,286.0929,4.4739995,0.317856148,0.296460778,0.199482222,0.127199873,0.465551711,0.199758178,0.299377354,0.278251732,0.490759772,0.024733368,0.302591464,0.275753573,0.385296142,0.209236257
386,C13 H11 N2,Methylphenazonium,171.0961,4.4329944,0.469188891,0.654058318,0.063215402,0.629951827,0.135889043,0.579596181,0.304427419,-0.638368533,-0.916996225,-0.305970585,-0.800379295,-0.391247285,-0.76108745,-0.559247126
387,C33 H67 N O9 P,Azelaoyl PAF,652.4556,12.715023,0.344922063,0.4730153,0.03725659,0.493304685,0.084770396,0.318576079,0.224917239,-0.100819893,-0.160224858,-0.029950813,-0.102572576,-0.11298992,-0.069771927,-0.120837661
388,C6 H8 N6 O2,C6 H8 N6 O2,196.0713,5.47999,0.408645657,0.544362581,0.218175719,0.549221678,0.102071566,0.693825,0.223291802,0.398504414,0.599965173,0.158165264,0.555560029,0.118719994,0.742057677,0.177002969
389,C12 H22 O5,Dibutyl malate Esi+7.1140113,246.147,7.1140113,0.380370299,0.152049439,0.678655131,0.1971959,0.552242436,0.243211006,0.474185081,0.341910448,0.199113152,0.512265117,0.261468374,0.432675586,0.253723581,0.398767771
390,C11 H12 N2,Noreleagnine,172.0993,4.4249916,0.29736567,0.469388126,0.029629385,0.317173293,0.112194255,0.168463188,0.339661788,-0.604864409,-0.823407311,-0.34414656,-0.592617139,-0.521897928,-0.193191973,-0.870284795
391,C9 H18 N2 O,3-Acrylamidopropyl trimethylammonium,170.1416,1.1510009,1.719215245,1.744191336,1.802071177,1.848386815,1.768904231,1.742853747,1.832111539,1.190623422,1.245610257,1.125025092,1.146000457,1.235749838,1.1033601,1.2468853
392,C52 H99 O13 P,PI(22:1(11Z)/21:0),979.7006,13.32103,0.024153456,0.072505989,0.285289284,0.040187249,0.157521277,0.145772204,0.067677028,0.09013478,0.039406391,0.150652858,0.116411182,0.032241533,0.17939994,0.032582243
393,C42 H74 O14,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid,824.4896,13.979003,0.867426931,0.583162436,1.333204971,0.871334441,0.936213687,0.827580305,0.940771125,0.896000192,0.671567403,1.163744571,0.874842774,0.915846734,0.783116544,0.968780438
394,C30 H52 N3 O5,C30 H52 N3 O5,534.3901,14.739991,1.113732866,1.257467243,0.81272558,1.12402819,1.018130864,1.084800551,1.033798909,-0.948000849,-1.147470259,-0.710037343,-0.870145366,-1.084563658,-0.828830796,-1.024834173
395,C12 H20 N6 O4,C12 H20 N6 O4,312.155,6.287994,1.732988119,1.547685428,1.766285021,1.486134406,1.860466106,1.555046652,1.762096655,1.618925557,1.572165195,1.674709849,1.501056338,1.763607922,1.641979861,1.604061599
396,C28 H52 O7,C28 H52 O7,500.3713,14.981983,0.314845834,0.494688797,0.022866779,0.379332736,0.198463899,0.213833676,0.276198471,-0.181123988,-0.34794837,0.017894573,-0.181367052,-0.179156843,-0.119073839,-0.221130005
397,C24 H51 N S,C24 H51 N S,385.3737,13.549016,1.325183296,1.309395933,1.112109179,1.207776838,1.502849315,0.920577025,1.51699147,0.552322678,0.640991991,0.446541743,0.476185715,0.698023885,0.414761123,0.64101368
398,C25 H42 O6,"3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol",455.3274,11.726008,0.376583987,0.452050418,0.139434983,0.479623408,0.177762069,0.266352871,0.310060765,-0.126697801,-0.165646501,-0.080232685,-0.118509318,-0.15810934,-0.063375585,-0.167523966
399,C19 H26 N4 O6,Tyr Pro Gln,428.1634,4.870985,0.524871852,0.46813554,0.412699789,0.515997795,0.45808653,0.645059473,0.339426547,0.557045799,0.685335286,0.403998692,0.606429251,0.481978003,0.666283674,0.486616117
400,C25 H34 O4,"4,5-epoxy-17R-HDHA",398.251,5.6240125,0.145081505,0.356730236,0.218721123,0.119937839,0.018906815,0.372073628,0.066534056,0.018309445,0.156146623,-0.146127891,0.051840224,-0.045384328,0.178438519,-0.084931669
401,C8 H14 O5 S,2-(3'-Methylthio)propylmalic acid,222.0557,14.070014,1.093128006,1.105703427,1.230837914,1.161999432,1.04157592,0.977261915,1.241642955,0.711435709,0.660527463,0.772168354,0.783026462,0.648191328,0.575793047,0.798889531
402,C16 H24 N7 O3,C16 H24 N7 O3,361.213,6.06898,1.081210447,0.927212251,1.202434046,0.968462128,1.239783359,1.150621015,0.984120441,0.737801438,0.530671773,0.984903494,0.544448331,1.014094098,0.627567706,0.808873186
403,C36 H60 O8,Ginsenoside Rh4,637.4505,13.219975,0.615680428,0.740340046,0.283967325,0.789747547,0.307498925,0.640770217,0.452782724,-0.213325011,-0.276937879,-0.137435976,-0.21776617,-0.216817622,-0.19586945,-0.224579254
404,C10 H18 O5,5-hydroxysebacate,218.1155,5.8110023,0.183565438,0.290293195,0.028326662,0.316506979,0.005286217,0.140317729,0.150152797,-0.153159252,-0.252611979,-0.034513894,-0.219173545,-0.066345122,-0.143064789,-0.159667525
405,C43 H65 N O4,Acidissiminin,681.4766,13.056961,0.555316886,0.664776645,0.300005467,0.730470886,0.276072684,0.587732404,0.408442471,-0.201450899,-0.243648362,-0.151110065,-0.208073255,-0.205164794,-0.185160381,-0.211953995
406,C40 H70 N O8 P,"PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))",722.4776,12.154034,1.0558498,1.04800071,1.106875664,1.086665928,0.929394207,1.201601156,1.002971936,0.594588307,0.63189862,0.550077758,0.645290963,0.494454762,0.725100046,0.51044258
407,C44 H83 O12 P,PI(P-20:0/15:1(9Z)),833.5502,14.15203,0.672031962,0.832622586,0.381987321,0.762669848,0.483768003,0.774739937,0.50961294,-0.497984023,-0.730195079,-0.220960307,-0.510295448,-0.480816846,-0.58636722,-0.44100012
408,C45 H79 O8 P,"PA(22:0/20:5(5Z,8Z,11Z,14Z,17Z))",388.7715,10.625,0.233587813,0.218846661,0.305611583,0.212106011,0.255998954,0.357378283,0.213917213,0.115196998,0.137662607,0.08839592,0.135734981,0.057637299,0.215188216,0.050728975
409,C19 H38 N3 O5,C19 H38 N3 O5,388.2807,11.988021,2.53453295,2.379577746,2.741064982,2.482810109,2.717059012,2.314290788,2.725560967,3.529739542,3.248094751,3.865736836,3.274700642,3.86363476,3.171720377,3.760567687
410,C13 H26,6-Tridecene,199.2295,9.78298,0.128989792,0.188658189,0.023709534,0.287533281,0.15292733,0.221234081,0.03331222,0.001104013,0.000861589,0.001393221,-0.025038711,0.035447559,0.000327777,0.001604481
411,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]",574.4593,16.065968,1.283464337,1.371471132,1.054393472,1.290328432,1.156423697,1.229333784,1.217827016,-1.166290476,-1.376812768,-0.915141076,-1.143847706,-1.204342621,-1.175310745,-1.160474777
412,C18 H44 Cl2 N9 O3,C18 H44 Cl2 N9 O3,504.298,7.0430045,1.195243501,0.997375014,1.429318269,1.252237029,1.192430874,0.83042314,1.365089927,2.730690806,1.989229604,3.615241012,2.582335784,3.004715519,1.659293071,3.421460398
413,C12 H17 N O7,3-Hydroxy-N-methylpyridinium glucuronide Esi+4.620985,286.0922,4.620985,0.348436534,0.318772466,0.301404967,0.30466347,0.366178871,0.341412865,0.297231565,0.305463229,0.443012081,0.141369862,0.441687249,0.129107936,0.476406756,0.195249639
414,C9 H14 N2 O,2-Methoxy-3-(1-methylpropyl)pyrazine Esi+1.9479982,166.1102,1.9479982,0.790492544,0.748383052,0.741086909,0.786950361,0.743688479,0.718267445,0.809330889,0.391515802,0.387179129,0.396689378,0.435528892,0.338184379,0.389979931,0.392506035
415,C19 H35 N4 O3,C19 H35 N4 O3,367.2717,10.055007,0.524851,0.530109974,0.540714116,0.604381811,0.551171535,0.683282052,0.498251716,0.44616537,0.479568446,0.406316086,0.440621785,0.450404699,0.479061,0.424956345
416,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid,542.3947,16.241959,0.617259815,0.773930187,0.235985361,0.604879773,0.553227629,0.421733577,0.627936047,-0.242095164,-0.406819555,-0.045581857,-0.172791004,-0.348302889,-0.160531569,-0.29468222
417,C28 H51 N O7 P,"LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+11.889992",543.3321,11.889992,1.612298392,1.698532588,1.450286145,1.785848575,1.323521291,1.599488072,1.505574958,-1.950948181,-2.056493431,-1.82503455,-2.193025896,-1.634589917,-2.048067664,-1.888331673
418,C40 H21 Cl N11 O,C40 H21 Cl N11 O,706.1616,16.69997,2.577137761,2.715565498,2.544456555,2.706781906,2.663684639,2.753664319,2.575234595,3.253970875,3.334960869,3.157351234,3.299357582,3.204320681,3.170256489,3.307944625
419,C31 H56 O10,C31 H56 O10 Esi+13.169984,588.3879,13.169984,1.619894095,1.434075559,1.712823078,1.448469576,1.719743688,1.345293538,1.768103824,2.324516264,2.171365876,2.507221991,2.217923379,2.45795399,2.074140067,2.485943023
420,C30 H50 O5,Cycloastragenol,490.3634,15.220963,0.930773443,1.096533105,0.54923194,0.917566048,0.887396062,0.946912904,0.830677247,-0.570036343,-0.722128919,-0.388592568,-0.442899142,-0.764523654,-0.48755721,-0.623213679
421,C42 H83 O8 P,PA(21:0/18:0) Esi+15.629947,746.5858,15.629947,1.951137161,2.115628884,1.923986696,1.993722096,2.084417865,2.293954982,1.798491518,-0.99934718,-1.027715735,-0.965503992,-0.933714177,-1.081730494,-1.071487825,-0.952835449
422,C36 H69 O8 P,PA(16:1(9Z)/17:0),659.4628,13.120041,0.691811942,0.810684735,0.356605341,0.817507079,0.409323244,0.689739017,0.540825332,-0.250853006,-0.31474631,-0.174629414,-0.240621891,-0.276991766,-0.230006783,-0.264293334
423,C34 H65 O7 P,PA(P-16:0/15:1(9Z)),615.4372,13.29597,0.576953888,0.672816971,0.263871069,0.714009784,0.301845205,0.546541001,0.458765637,-0.201937831,-0.254321388,-0.139445166,-0.196219752,-0.221452911,-0.152392851,-0.233881305
424,C45 H91 N8 O12,C45 H91 N8 O12,935.6746,13.431959,0.007483848,0.089600969,0.278941424,0.039348525,0.142482496,0.144387235,0.058058323,0.070957184,0.019635752,0.132182752,0.096326458,0.016101367,0.162483911,0.01194653
425,C19 H40 O7,C19 H40 O7,380.2765,9.444988,0.644363691,0.523070426,0.787056474,0.72507109,0.585754742,0.533908703,0.648037501,-0.378456258,-0.290525421,-0.483356204,-0.389795037,-0.388532398,-0.246552369,-0.463499555
426,C20 H30 N6 O6,Glu Phe Arg,450.2232,12.697999,1.736882477,1.428132051,2.118436647,1.662830134,1.876712926,1.691375851,1.803208268,1.563483326,1.303057858,1.874166339,1.472004567,1.694477535,1.426855124,1.651572561
427,C34 H50 O4,"1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol",521.3665,11.509017,0.28906436,0.351156609,0.053674776,0.444333915,0.042062945,0.216601278,0.214689805,-0.081692319,-0.117175241,-0.039361817,-0.090113165,-0.091243243,-0.028388288,-0.116059393
428,C33 H65 N O9 P,PC(16:0/9:0(CHO)),667.4604,12.176021,0.151637643,0.262921678,0.124704295,0.26361251,0.055407732,0.051045547,0.095521269,-0.012914864,-0.068504849,0.053403012,-0.010212511,-0.037753052,0.043430817,-0.049243001
429,C28 H55 N8 O4 P,C28 H55 N8 O4 P,598.4083,13.725028,0.067043698,0.296474197,0.330733237,0.072796551,0.009222196,0.107253215,0.027534443,0.072445875,-0.213771556,0.41389825,0.067624125,0.064865177,-0.029369316,0.13808988
430,C40 H77 O12 P,PI(P-18:0/13:0),780.5205,12.708986,1.196338788,1.181695817,1.274242176,1.209029525,1.105054538,1.313527676,1.17552558,0.702944973,0.731429863,0.668962999,0.745221488,0.617920382,0.820663348,0.6270476
431,C10 H22 O4,C10 H22 O4 Esi+5.8819923,206.1514,5.8819923,0.352841016,0.356182258,0.312507973,0.496398864,0.106967564,0.252771972,0.370319937,0.178636174,0.200834241,0.152154269,0.264555982,0.060290165,0.201806605,0.163697344
432,C27 H56 N3 O P S2,C27 H56 N3 O P S2,533.3612,11.968995,0.899653598,0.751581421,1.107570992,0.912297447,0.839714219,0.837155973,0.973932008,0.399683297,0.388797229,0.412670185,0.433356756,0.339662195,0.429783863,0.380276354
433,C45 H80 N O10 P,"PS(17:0/22:4(7Z,10Z,13Z,16Z))",824.5461,12.594975,0.979574001,0.953315216,1.061393454,0.976699759,0.892559491,1.110637629,0.946023342,0.572553584,0.604181736,0.534821754,0.621877749,0.474847017,0.704711013,0.487346821
434,<none>,<none> Esi+5.7650113,451.7293,5.7650113,1.609648317,1.732836796,1.479972695,1.533219476,1.81339767,1.796787888,1.585704042,1.966344722,2.237061941,1.64338383,1.823306237,2.174459192,2.085487629,1.889528901
435,C13 H24 O5,C13 H24 O5 Esi+8.009008,260.1622,8.009008,0.256663251,0.257623512,0.248893785,0.374497486,0.015294072,0.444495918,0.056089257,-0.593685197,-0.519769577,-0.681865234,-0.8165178,-0.289593219,-0.960991496,-0.356869293
436,C25 H44 O9,C25 H44 O9 Esi+11.520997,488.2992,11.520997,0.999158547,0.962419508,1.116034325,1.202135594,0.800835031,1.228354047,0.884541181,1.037119858,0.993860593,1.088727401,1.221243291,0.777555983,1.216242993,0.921632573
437,C32 H60 O19,Hypromellose,748.3745,5.3160005,1.031265887,1.15776516,0.710131002,0.972922771,1.040041842,0.773232047,1.065070912,1.126254784,1.237456425,0.993593177,1.145193899,1.160206621,0.946921386,1.241877632
438,C15 H24 O6,C15 H24 O6 Esi+10.583986,300.1573,10.583986,1.383123685,1.474228691,1.123634528,1.429511019,1.216487025,1.368890086,1.164110715,-0.865093955,-1.009056325,-0.693349373,-0.844728158,-0.849471257,-0.887790832,-0.850460442
439,C33 H60 O10,Nonoxynol-9 Esi+13.78497,638.4,13.78497,0.945869907,1.066157634,0.581439789,0.889351143,0.815126466,0.807111591,0.873627564,-0.91176625,-1.160855703,-0.614606902,-0.897874624,-0.930704899,-0.973082958,-0.872233109
440,C17 H27 N O4,Metipranolol Esi+7.0629907,309.1935,7.0629907,0.317151242,0.013994207,0.706442397,0.020181084,0.620544769,0.049330418,0.489258642,0.354924501,0.235592905,0.497285002,0.293485228,0.43806261,0.234946512,0.432278731
441,C10 H14 N2 O17 P S,C10 H14 N2 O17 P S,496.9733,4.633003,0.747068006,0.897117126,0.489602561,0.794656401,0.685932551,0.625063785,0.865076212,0.405190914,0.539827085,0.244572323,0.426405344,0.377197216,0.374900109,0.424720511
442,C50 H89 D5 O6,TG(15:0/17:1(9Z)/15:0),397.8711,5.8709826,0.401877562,0.752426181,0.226269065,0.656977039,0.05222205,0.692646258,0.156650113,0.176749472,0.415053208,-0.107542706,0.244186229,0.074082172,0.321848454,0.083198812
443,C19 H28 N4 O3,LY255283 Esi+10.756011 :1,382.1958,10.756011,2.172034891,1.971335325,2.429691515,2.042210314,2.367012533,2.034376327,2.268148574,3.266970117,2.891271793,3.715171627,3.099073356,3.506130127,3.064463648,3.397533499
444,C39 H62 O13,Melongoside F,738.4165,13.303971,0.595816845,0.499966108,0.750666352,0.741466285,0.432168761,0.830900612,0.461775387,0.730775182,0.601336927,0.885192749,0.89069001,0.481099531,0.85326547,0.65180118
445,C35 H64 N O8 P,"PE(18:3(9Z,12Z,15Z)/12:0) Esi+12.641035",674.4688,12.641035,0.310202132,0.421746029,0.021726165,0.431074457,0.055892252,0.270784608,0.196930437,-0.087267773,-0.140214137,-0.02410369,-0.080819514,-0.111700191,-0.050281708,-0.111114052
446,C34 H65 O10 P,PG(16:1(9Z)/12:0),664.4365,11.49503,1.104016619,1.100786985,1.106506445,1.128090524,0.94254487,1.192362763,1.046866309,0.606296137,0.64818802,0.556319855,0.65642956,0.5051114,0.713896465,0.536922241
447,C15 H25 N O4,C15 H25 N O4,283.1716,4.226008,0.418507077,0.465524278,0.2496835,0.391477633,0.38466615,0.482173059,0.348902418,0.525449695,0.853956593,0.133546728,0.533392996,0.557940929,0.790653095,0.354463292
448,C12 H20 O5,"Polyethylene, oxidized Esi+5.7459826",244.1311,5.7459826,0.668569218,0.557662048,0.777391167,0.594193045,0.558364847,0.673198809,0.631297376,0.386952719,0.330020146,0.454872281,0.415583998,0.320841787,0.453250216,0.344208281
449,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0)",593.4239,13.3669615,0.418437017,0.551916342,0.122262757,0.586905607,0.177519602,0.432802744,0.288595881,-0.119135822,-0.172382735,-0.055613188,-0.112625252,-0.13952479,-0.082634701,-0.142669439
450,C24 H34 O6 S,Rivenprost Esi+5.08801,450.207,5.08801,0.609420431,0.563035076,0.494191117,0.553493877,0.621571964,0.543233665,0.551040661,0.586414635,0.656685745,0.502582434,0.587213236,0.610902796,0.527964971,0.624099287
451,C46 H80 N2 O13,Tilmicosin,868.5723,12.470966,0.964311181,0.922954469,1.07224243,0.952223175,0.890787784,1.06498106,0.943947079,0.604795601,0.623958766,0.581934282,0.649255223,0.512876376,0.724555745,0.527581825
452,C38 H73 O9 P,PG(P-18:0/14:1(9Z)),703.4891,12.981991,0.4581552,0.555001986,0.162430711,0.573880471,0.194395977,0.412623991,0.323837953,-0.152482312,-0.208715954,-0.085396563,-0.140969455,-0.182078574,-0.114697465,-0.176843594
453,C27 H54 N6 O9,C27 H54 N6 O9,606.3949,10.831032,1.056621007,1.111552547,0.983822512,1.090117193,0.899602212,1.192303285,0.976418844,0.555845303,0.624714035,0.473686113,0.607432635,0.452281751,0.680400057,0.475540263
454,C3 H Cl P,C3 H Cl P,102.9482,1.2990015,0.034305723,0.267819723,0.378191377,0.01072763,0.006128408,0.09330812,0.113063408,-0.087434245,-0.363859288,0.242335982,-0.085364418,-0.067028902,-0.201081958,-0.014161376
455,C22 H23 Cl N2 O2,Loratadine,382.1452,8.858998,1.151137777,1.369444766,0.980539012,1.432606333,1.01020512,1.521175296,1.060021109,-0.464185845,-0.613781475,-0.285720883,-0.513255559,-0.404038523,-0.562783928,-0.400616028
456,C27 H55 N8 O6,C27 H55 N8 O6,587.4234,10.149001,0.049994449,0.070353515,0.008691716,0.072410258,0.037008623,0.072486341,0.079726519,0.034190644,0.084359385,-0.025659783,0.072042009,-0.036386275,0.075181129,0.007762569
457,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid Esi+13.114991,542.3902,13.114991,0.46548828,0.568743129,0.168569864,0.612101904,0.214111007,0.431109825,0.339833701,-0.146320938,-0.185290883,-0.099830479,-0.142976359,-0.162644535,-0.10407714,-0.173557072
458,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.1199956,228.1363,7.1199956,0.16188108,0.014400652,0.277168461,0.094307252,0.129939148,0.208904214,0.126680352,0.10631746,0.054532089,0.168096499,0.12671757,0.06063816,0.172521824,0.063633067
459,C37 H62 O5,"DG(12:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]",585.4446,12.597975,0.023774559,0.014347512,0.163199824,0.013014021,0.109093203,0.196333545,0.026403733,0.064376705,0.054851434,0.075740187,0.095127643,-0.000277411,0.165598935,-0.000884995
460,C28 H46 O5,Polyporusterone F,462.3355,12.355973,0.371853779,0.4740601,0.08469184,0.509748491,0.14190336,0.293220102,0.286032475,-0.111068382,-0.155815001,-0.057686451,-0.106594929,-0.131820571,-0.059144873,-0.144545381
461,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+10.420992,482.249,10.420992,1.847547375,1.751065622,1.994113973,1.837569882,1.893078248,1.962547597,1.823878171,2.472526661,2.377274369,2.586160975,2.549448745,2.334751555,2.621070456,2.376755004
462,C12 H26 O6,C12 H26 O6,266.1724,4.8979974,0.15596927,0.021308347,0.4313973,0.21071144,0.212505907,0.04753705,0.272475327,-0.089769256,0.000471128,-0.197424451,-0.07052745,-0.133553149,-0.006451592,-0.143487224
463,C28 H48 O8,C28 H48 O8,512.3358,14.535956,0.065093672,0.190211914,0.410756241,0.017917084,0.127931279,0.076317242,0.107853662,0.079722314,-0.133199217,0.333733964,0.040236002,0.134542474,0.044226246,0.102607936
464,C24 H30 O6,Clausarinol Esi+10.498024,414.2045,10.498024,0.372855375,0.428266975,0.025041294,0.153180957,0.425453115,0.400101908,0.173280629,-0.11560478,-0.168214726,-0.052842037,-0.082501685,-0.173245141,-0.20745339,-0.056386597
465,C8 H19 N,Octylamine Esi+4.291993,129.1518,4.291993,0.185679339,0.011568896,0.614276622,0.09188959,0.635576008,0.285738595,0.39806909,0.050359241,-0.072351655,0.196751186,-0.031133689,0.166297073,-0.039966747,0.108595733
466,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside",414.2253,12.166014,1.514971455,1.163271414,1.915292149,1.345866796,1.710795284,1.432026363,1.566573405,1.905878367,1.561546457,2.316660294,1.742432702,2.132151544,1.754430883,2.003522139
467,C30 H54 O9,C30 H54 O9,558.3731,13.449969,0.512594151,0.572684185,0.316506375,0.420740907,0.543592023,0.398936243,0.496499971,-0.417296557,-0.563734706,-0.242598413,-0.296313506,-0.596657229,-0.393126661,-0.432879779
468,C43 H75 O7 P,"PA(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))",733.5175,10.674001,0.04675584,0.047313162,0.029949145,0.113140441,0.065030977,0.101581726,0.049349682,-0.000495732,0.017059154,-0.021438403,0.019822338,-0.058977592,0.105761193,-0.069003486
469,C45 H83 N O14,C45 H83 N O14,861.5815,14.497015,1.208980257,1.254904546,1.041617016,1.263993969,1.02597264,1.197449216,1.127212298,-1.059679587,-1.246668642,-0.836604924,-1.031601066,-1.096844699,-1.047747156,-1.067372865
470,C35 H67 O10 P,PG(17:1(9Z)/12:0),678.4516,12.277023,1.235571026,1.248423612,1.282038574,1.278616929,1.102202764,1.356053627,1.209817716,0.715347125,0.759942886,0.662145165,0.775274563,0.603887753,0.834348367,0.63862264
471,C28 H48 N O7 P,C28 H48 N O7 P,541.3157,11.388993,1.318064331,1.27741556,1.095481901,1.300084144,1.145911169,1.242176171,1.177533839,-1.375615787,-1.507905351,-1.217796659,-1.353874881,-1.412099414,-1.421156048,-1.346254303
472,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.72703,311.1517,11.72703,0.269728143,0.309682599,0.065362905,0.331963322,0.150839935,0.289824521,0.145020867,-0.164762141,-0.283740783,-0.022822709,-0.092210216,-0.261045894,-0.172230727,-0.159946869
473,C26 H50 N O10 P,PS(10:0/10:0),566.3132,12.01296,1.791130411,1.561959351,2.076682026,1.684492287,1.963121607,1.611702923,1.927218323,2.548271641,2.22870412,2.929510088,2.32714671,2.829582166,2.266784273,2.729756918
474,C42 H74 N O9 P,"PS(P-16:0/20:4(5Z,8Z,11Z,14Z))",766.5039,11.98704,1.139804299,1.140724195,1.186544479,1.179096645,1.004771343,1.279988594,1.091054644,0.645478388,0.688694539,0.593922277,0.702656647,0.536454576,0.77434517,0.562393225
475,C19 H34 O7,Tsangane L 3-glucoside,374.2291,10.270014,0.354232925,0.28446366,0.421374574,0.102200767,0.605443007,0.14075326,0.548815283,-0.263620265,-0.240814182,-0.290827521,0.022992252,-0.693847162,0.273492421,-0.609916602
476,C33 H48 O3,"1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol",491.3562,12.835996,0.118121363,0.267545155,0.198804585,0.258003977,0.088758728,0.090447046,0.015072362,-0.008165447,-0.051145477,0.043108974,-0.008097588,-0.014364317,0.019166555,-0.025787396
477,C29 H35 N O5,1'-O-Acetylpaxilline,476.2388,13.43098,0.428299772,0.117635159,0.794430077,0.441796449,0.470831869,0.306199334,0.537840139,0.253181642,0.077549525,0.462707675,0.189949786,0.339587927,0.068499999,0.372252701
478,C30 H51 N5 O6,C-6 NBD-dihydro-Ceramide,577.387,11.837974,0.077128218,0.005153315,0.269989536,0.00663204,0.175023984,0.185463733,0.083603938,0.05513135,0.034022656,0.080313652,0.058448956,0.027141483,0.121077072,0.012613714
479,C9 H20 O4,C9 H20 O4,192.1358,4.8029895,0.783473215,0.91522466,0.63101167,1.08285355,0.321507794,1.04626098,0.53056369,-0.619128107,-0.761029285,-0.44984249,-0.913890877,-0.214369753,-0.816916976,-0.491606336
480,C33 H53 N O9,Malyngamide J Esi+5.6970124,607.3766,5.6970124,0.56003025,0.374876411,0.616692429,0.520014038,0.614457208,0.695035079,0.3633662,0.271444219,0.252241813,0.294352352,0.225915676,0.337476708,0.298590074,0.253942286
481,C17 H47 N14 O6,C17 H47 N14 O6,543.3792,11.465999,0.130901973,0.281269038,0.156010286,0.294071201,0.067405485,0.113047262,0.064993207,-0.006961861,-0.077061387,0.076665643,-0.021131441,-0.010608084,0.027800692,-0.02937456
482,C20 H31 F O3,"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one",338.2301,6.244011,0.491893467,0.263691535,0.797021675,0.461281967,0.495889688,0.257478656,0.571305239,-0.224879387,-0.104814249,-0.368114991,-0.173680233,-0.314949653,-0.090987107,-0.311204673
483,C16 H24 N4 O2,"1,3-Dipropyl-8-cyclopentylxanthine [DPCPX]",304.1877,7.9060054,1.717873393,1.643240456,1.828642413,1.575041269,2.069568253,1.378433959,2.00816277,1.721459412,1.563640877,1.909734156,1.45627047,2.059225566,1.328381332,1.974891332
484,C33 H58 O6,Cholestanyl glucoside,572.4029,11.94997,0.105386188,0.060935339,0.051748502,0.00579199,0.040621916,0.081883537,0.044123842,-0.00929623,0.001991885,-0.022762753,0.051239159,-0.113688352,0.06058517,-0.054351343
485,C13 H28 O6,C13 H28 O6,280.1881,5.4449916,0.146585454,0.135410321,0.549415237,0.129395908,0.315169998,0.006719975,0.284968474,-0.112917822,0.024250065,-0.276556705,-0.076310519,-0.197533285,-0.020861095,-0.172270186
486,C14 H18 N2 O2,C14 H18 N2 O2 Esi+4.2509904,245.1627,4.2509904,0.217660957,0.381799895,0.103788022,0.13839971,0.226928218,0.233478707,0.198131357,0.391153542,0.628257583,0.10829258,0.434820454,0.342789186,0.559599152,0.282550451
487,C32 H60 O11,Butyl 4'-O-hexadecanoyl-neohesperidoside,620.41,11.6310215,0.995131962,1.007220511,0.982152048,1.019090187,0.831758623,1.147058359,0.908953822,0.534538452,0.588316277,0.470382451,0.586894481,0.430586439,0.671382336,0.446310158
488,C33 H60 O10,Nonoxynol-9 Esi+13.584975,633.4438,13.584975,0.702286828,0.600744282,0.751071275,0.585049158,0.954249021,0.297954528,1.012198935,1.88383408,1.727462907,2.070382148,1.729722139,2.172955279,1.343778808,2.232027611
489,C30 H50 N O7 P,C30 H50 N O7 P,567.3337,12.035971,0.15024344,0.44766678,0.218715764,0.351949223,0.045802845,0.165033864,0.116414204,0.009359146,-0.182035967,0.237690157,-0.066502077,0.097481932,-0.016375742,0.025951376
490,C32 H28 N2 S3,C32 H28 N2 S3,536.1414,14.700979,1.271951405,1.24399328,1.258112954,1.383508002,1.112568451,1.252246056,1.219085332,1.087227866,0.980665769,1.214354579,1.110052729,1.071700167,0.952963113,1.1737933
491,C37 H26 N5 O7 P,C37 H26 N5 O7 P,683.157,9.970972,0.047417295,0.038617658,0.181555791,0.168654947,0.018577183,0.234761493,0.048527179,0.272945091,0.22566761,0.329346296,0.361246312,0.115809637,0.435887978,0.167889808
492,C37 H50 O5,3-Benzoyloxy-11-oxo-12-ursen-28-oic acid,574.371,12.818001,2.343172634,2.157383895,2.496796371,2.327738494,2.349800746,2.128940428,2.427343259,5.895871464,5.439377355,6.440460927,5.758220495,6.056222155,5.555884861,6.115073352
493,C47 H85 O12 P,"PI(P-20:0/18:3(9Z,12Z,15Z))",872.5857,14.892034,0.368408858,0.195479076,0.578744983,0.37953626,0.326137061,0.464936533,0.323539955,0.511767718,0.385074192,0.662910872,0.568787791,0.426727517,0.644809514,0.42599077
494,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)",734.4217,14.924018,0.815526721,0.598422793,1.056398198,0.809465814,0.757016844,0.833065324,0.790650859,0.791392036,0.67921513,0.925217117,0.825604942,0.744274514,0.850481547,0.753294852
495,C13 H16 N2 O4,Alpha-N-Phenylacetyl-L-glutamine,264.1097,4.622002,0.318168266,0.288293286,0.409231671,0.359263786,0.403637866,0.297970548,0.394141534,0.186876924,0.266603871,0.091764074,0.265850904,0.069618805,0.254732482,0.143127945
496,C10 H12,"p-Mentha-1,3,5,8-tetraene",132.0935,4.849988,1.917626142,1.950406626,1.822714774,1.931357318,1.919666131,1.969580148,1.849681638,-0.941869162,-0.995749229,-0.877591187,-0.922199037,-0.969560909,-0.961081782,-0.929482078
497,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.37899,311.1517,11.37899,0.123734099,0.140680813,0.03845171,0.179318905,0.042099453,0.136592088,0.019861339,-0.030902583,-0.123844775,0.079975822,0.008778285,-0.107467932,-0.042569769,-0.023380318
498,C9 H15 N O,"5-Butyl-2,4-dimethyloxazole",153.1152,4.2210035,0.599840163,0.515182905,0.591151774,0.315835701,0.747749922,0.35032572,0.608199262,-0.664497106,-0.614988395,-0.723560129,-0.466239584,-0.937317835,-0.553790637,-0.735873645
499,C35 H44 N2 O9,Dihydro Isorescinnamine,636.2982,14.36598,1.410841519,1.687691557,1.053473514,1.675022755,1.224896822,1.889809304,1.190350945,-0.920619884,-1.173532553,-0.618899507,-0.939632041,-0.880956508,-1.084436296,-0.815001408
500,C6 H14 O3,"Polypropylene glycol (m w 1,200-3,000) Esi+3.1829982",156.0758,3.1829982,0.272210215,0.000288658,0.628145713,0.111330108,0.528640518,0.226939849,0.32987094,-0.16585245,-0.03279854,-0.32458343,-0.080165153,-0.302982096,-0.09675757,-0.210400464
501,C17 H34 N O4,O-decanoyl-R-carnitine,315.245,8.863015,0.579632142,0.638355823,0.409512007,0.598465354,0.57194886,0.713121947,0.459614119,0.447855667,0.575396543,0.29570164,0.449974795,0.440383387,0.578348528,0.363722112
502,C34 H50 N4 O2,"endo-1,4-beta-Xylanase",545.391,13.629956,0.37264912,0.472216456,0.154948664,0.238332397,0.388846348,0.277076383,0.294682023,-0.102511928,-0.219641258,0.037221308,-0.045231868,-0.172555723,-0.110647074,-0.097266899
503,C48 H93 N O11 S,C24 Sulfatide,891.6482,13.538027,0.029294765,0.107419896,0.213204999,0.084222824,0.102662054,0.122713288,0.013359855,0.054438758,0.014045518,0.102627186,0.083815259,-0.006408225,0.156736767,-0.011516536
504,C23 H42 O6,C23 H42 O6,414.2981,14.180976,0.336120139,0.513781392,0.00862405,0.357214816,0.279957029,0.217602568,0.342107413,-0.301389958,-0.555742331,0.002047961,-0.288756483,-0.335896255,-0.25290481,-0.332650119
505,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.462978,311.1518,11.462978,0.072499276,0.110216427,0.079062167,0.113093963,0.023727086,0.086138529,0.017671032,0.006071919,-0.060469901,0.085455143,0.10322528,-0.137270259,0.034044802,-0.01196323
506,C26 H40 O4,Methandriol dipropionate,416.2876,11.811019,0.356733078,0.292056902,0.523295033,0.2953049,0.455591777,0.421330374,0.397082863,0.221035087,0.205812115,0.239195826,0.232289369,0.177971843,0.285423532,0.179521485
507,C36 H71 O9 P,PG(P-18:0/12:0),677.4675,13.552001,0.792091522,0.862102763,0.60139037,0.636713728,0.821320011,0.638972254,0.814443609,-0.419197908,-0.556959115,-0.254851205,-0.369217523,-0.466625181,-0.353801175,-0.461361591
508,C27 H43 F O3,"1,24-Dihydroxy-25-fluorovitamin D3",433.3142,11.800028,0.581623036,0.618378362,0.415537719,0.663672794,0.435627771,0.425883617,0.555348151,-0.23726686,-0.254272144,-0.216979854,-0.210220906,-0.294829725,-0.14119881,-0.29920547
509,C36 H66 O6,C36 H66 O6 Esi+15.739013,594.4857,15.739013,1.517347174,1.663415465,1.316354873,1.609124549,1.427988849,1.60105522,1.439778112,-1.422707278,-1.698443565,-1.093758724,-1.412097752,-1.454633632,-1.447711431,-1.406586179
510,C26 H36 O3,Estradiol Cypionate,396.2717,7.012975,0.335317301,0.096672009,0.685702602,0.373847462,0.329937562,0.124656804,0.426406698,-0.178035107,-0.028860345,-0.355997981,-0.144295822,-0.246984064,-0.036915013,-0.269020431
511,C32 H67 N O7 P,LysoPC(24:0),630.4426,12.759019,0.614428358,0.84038386,0.155717879,0.742660366,0.355541955,0.911468216,0.331589523,-0.273799762,-0.457391591,-0.054777931,-0.331018312,-0.168439388,-0.5195648,-0.115345988
512,C14 H39 Cl N11 O2 S,C14 H39 Cl N11 O2 S,460.2734,6.803985,0.704248311,0.623081635,0.691474,0.513747863,0.749040212,0.3224924,0.867442688,1.309848628,1.057983599,1.610319189,1.118364524,1.537990972,0.579913959,1.780464401
513,C31 H45 N3 O4 S,Pateamine,554.3072,11.463993,2.402855695,2.206077501,2.646791714,2.335405642,2.563886781,2.229906562,2.537151323,4.794065663,4.254379386,5.437901924,4.442673127,5.257863675,4.42832825,5.029870049
514,C36 H71 N2 O7 P,"PE-Cer(d16:2(4E,6E)/18:0(2OH)) Esi+12.591005",696.4812,12.591005,0.375118326,0.232165629,0.604663296,0.34470572,0.395166387,0.460068017,0.330904343,0.23609455,0.165358958,0.320480871,0.227598096,0.229117247,0.302668952,0.193171581
515,C49 H93 O12 P,PI(P-20:0/20:1(11Z)) Esi+12.936021,926.6093,12.936021,0.924278455,0.859095731,1.080509203,0.918752637,0.873125558,1.040268784,0.912020129,0.599875785,0.597630519,0.602554347,0.640661063,0.514966464,0.719646426,0.52265524
516,C22 H42 O4,Dioctyl hexanedioate,370.3074,16.402042,0.882821835,0.994303966,0.358576453,0.736995052,0.787149896,0.795929538,0.751425787,-0.301153126,-0.423640618,-0.155027696,-0.27012001,-0.354375154,-0.311738137,-0.294328579
517,C19 H43 N25,C19 H43 N25,621.4538,11.733971,0.208689811,0.07342205,0.468348021,0.083203144,0.399249615,0.268141914,0.248115133,0.126432224,0.086076977,0.174575327,0.10638413,0.134651058,0.165423621,0.101293034
518,C36 H66 N O8 P,"PE(18:3(9Z,12Z,15Z)/13:0)",688.4841,13.424016,0.529926474,0.647661388,0.230014758,0.693866054,0.277176676,0.538278719,0.39479746,-0.191625508,-0.261587848,-0.108161664,-0.199235821,-0.191955206,-0.16820195,-0.206727539
519,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.93701",414.2253,9.93701,0.148131762,0.290533221,0.063186972,0.261349432,0.095762313,0.153938179,0.172812254,-0.115418308,-0.27250777,0.071986664,-0.111090408,-0.136140864,-0.135981487,-0.102160469
520,C39 H68 N O8 P,"PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))",708.4623,11.396978,1.123867069,1.148597409,1.096783644,1.190877897,0.93139913,1.283841748,1.0307429,0.617870821,0.684110174,0.538848434,0.689952659,0.484613388,0.766157178,0.522265144
521,C26 H52 O P S2,C26 H52 O P S2,475.3184,11.075997,0.390428362,0.345673573,0.531578447,0.323020124,0.485967881,0.489760925,0.381334506,0.198180753,0.199342356,0.19679498,0.203209124,0.162954544,0.271834999,0.150693146
522,C15 H5 N2 O21 P,C15 H5 N2 O21 P,579.9102,12.458986,0.322840892,0.376100663,0.136375627,0.403206471,0.191419952,0.22093619,0.279582822,-0.084567824,-0.106404715,-0.058516796,-0.05459468,-0.142348339,-0.016522625,-0.128439071
523,C18 H22 O10,Picraquassioside A,398.1225,5.8719893,0.163196501,0.403149777,0.332579981,0.355289484,0.220214227,0.479128442,0.135434366,-0.008543085,0.249054628,-0.315852637,0.119351538,-0.199601325,0.253922704,-0.177764449
524,C32 H54 O5,Ganoderiol C,518.3946,16.254944,1.022401496,1.167426784,0.68021198,1.050065056,0.937760327,0.863995539,1.009687018,-0.527402168,-0.719653781,-0.298049367,-0.448690757,-0.652988026,-0.381426866,-0.621517823
525,C16 H24 O5,"3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide",296.1602,8.68002,0.361955298,0.186501072,0.450774065,0.183347595,0.479220458,0.230488331,0.411273675,0.348977069,0.273080383,0.439520483,0.241234548,0.476453246,0.269503049,0.400216897
526,C31 H35 N3,C31 H35 N3,448.2467,11.740987,1.222677317,1.381952138,0.966778102,1.294753984,1.033383621,1.300757213,1.123226561,1.51022518,1.651781806,1.341350609,1.560148055,1.401173601,1.549363577,1.484991214
527,C19 H4 N4 O21,C19 H4 N4 O21,623.9361,12.309016,0.340622645,0.451308954,0.046853091,0.469265484,0.100098336,0.275067495,0.244801176,-0.085959692,-0.14721925,-0.012878114,-0.081595038,-0.109655021,-0.04104922,-0.114915128
528,C22 H28 N2 O4,Isorhynchophylline,384.1995,4.7849946,0.021514407,0.18711608,0.311617839,0.359871771,0.186470097,0.135205019,0.039690161,0.123156507,-0.043943457,0.322503832,0.313300265,-0.11287152,0.188519707,0.081014444
529,C34 H68 N6 O11,C34 H68 N6 O11,736.494,12.839034,1.171716848,1.172731676,1.258448667,1.171413312,1.124024663,1.294695403,1.172719465,0.679483493,0.714190182,0.638079022,0.716939534,0.600599373,0.795278102,0.604826443
530,C34 H58 O6,Campesteryl glucoside Esi+15.583007,562.4209,15.583007,1.275100968,1.362714268,1.055502442,1.282556964,1.164494389,1.269657827,1.187087341,-1.215845836,-1.434462651,-0.955039812,-1.231288698,-1.214770391,-1.231609846,-1.205682199
531,C41 H64 O12,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside,748.4467,15.375,0.209511776,0.188641684,0.204720257,0.148226188,0.244132491,0.238697621,0.162564751,0.377041915,0.414873386,0.331909634,0.429540029,0.312432126,0.557756951,0.260528274
532,C6 H14 O3,"Polypropylene glycol (m w 1,200-3,000) Esi+0.91400117",156.0759,0.91400117,0.146362424,0.043709006,0.205538717,0.530584808,0.179223761,0.280816575,0.007558802,-0.065111879,-0.086586418,-0.039493131,-0.25830088,0.202560703,-0.180434877,0.009241106
533,C56 H82 O6 S,Sulfated Dihydromenaquinone-9,882.5866,13.047043,0.940871923,0.889328048,1.077150424,0.923085124,0.902919655,1.070394871,0.923995755,0.593230289,0.601743826,0.583073788,0.626941741,0.519572618,0.717126028,0.513350142
534,C44 H78 N O10 P,"PS(18:0/20:4(5Z,8Z,11Z,14Z))",810.5302,11.903011,1.071591235,1.038926107,1.180090155,1.085629255,0.989933766,1.190707055,1.045736695,0.60283339,0.626663504,0.574404483,0.643265191,0.516916373,0.718128522,0.528498371
535,C32 H50 N4 O S2,C32 H50 N4 O S2,567.3171,11.925027,1.558531961,1.282436416,1.942581379,1.55249889,1.651157281,1.598095593,1.506918289,2.597103706,1.999258925,3.310322042,2.408747082,2.821112904,2.692940494,2.535314199
536,C11 H9 N O2,3-Amino-2-naphthoic acid Esi+0.89399815,187.0631,0.89399815,0.760590142,0.779314062,0.593416064,0.432080071,1.004343516,0.558079838,0.803929518,1.752384481,1.844759389,1.642182836,1.099524321,2.636466245,1.292554558,2.048853773
537,C48 H91 O12 P,PI(P-20:0/19:1(9Z)),912.5982,12.370037,0.93009264,0.861073716,1.072265038,0.901520274,0.882719984,1.03334684,0.90783479,0.592037006,0.597639189,0.5853537,0.627053671,0.511500497,0.718948825,0.51021228
538,C28 H44 N O2,Methylbenzethonium,408.3089,11.308022,0.2203225,0.095054305,0.283926761,0.097774603,0.281945195,0.007822537,0.266770934,-0.111918285,-0.032358341,-0.206831904,-0.045761258,-0.234334611,0.014760705,-0.193592898
539,C28 H41 N3 O2,Teleocidin B-1,473.2991,13.489012,0.875228234,0.530376691,1.476688611,0.873738468,1.042984446,0.873063584,0.971567637,1.055291188,0.673437667,1.51083574,0.967887648,1.179639992,0.883563163,1.166010573
540,C21 H50 N26,C21 H50 N26,666.4712,13.514965,0.561143,0.696339238,0.224093187,0.732042081,0.279158427,0.554049946,0.42408728,-0.200973038,-0.264107188,-0.125655105,-0.198848618,-0.21616049,-0.162817902,-0.22557306
541,C40 H48 O4,"7,8,7',8'-Tetradehydroastaxanthin",591.3455,6.157992,0.254842144,0.042395866,0.498816043,0.301406808,0.246853155,0.364250542,0.063190559,0.189784856,0.033727149,0.375958963,0.166206176,0.254214157,0.193785233,0.187205666
542,C16 H2 N2 O19 S,C16 H2 N2 O19 S,557.8971,12.54802,0.153580715,0.030351326,0.4007189,0.081583212,0.23467023,0.188710979,0.216624733,0.108235817,0.070063328,0.153774928,0.108156307,0.09282102,0.139492988,0.088083168
543,C27 H30 O16,Luteolin 6-C-glucoside 8-C-arabinoside,610.1609,15.496034,2.515244783,2.64636452,2.48325821,2.630283846,2.580339468,2.648278327,2.520219506,2.848633199,2.908975764,2.776645577,2.895487539,2.802377024,2.717590866,2.933121018
544,C36 H66 O6,C36 H66 O6 Esi+15.815969,594.4854,15.815969,1.296593995,1.361168766,1.106507734,1.355224728,1.129265674,1.312569122,1.17936158,-1.229565062,-1.430293422,-0.99009965,-1.280921301,-1.17744064,-1.332829393,-1.162986743
545,C28 H42 O9,"14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid",522.2803,11.586987,2.319479581,2.169429638,2.557239831,2.320274365,2.43094763,2.214204994,2.440866618,3.419753314,3.141848967,3.751288325,3.344849952,3.508432388,3.275333434,3.512866131
546,C52 H91 N O13,FMC-5(d18:1/18:0),937.6534,11.629969,0.277961757,0.176520035,0.477200425,0.175449917,0.39927393,0.376378679,0.285392638,0.200052848,0.176869541,0.227710126,0.206069547,0.160916501,0.297268188,0.137374537
547,C20 H40 O5,C20 H40 O5,360.2868,12.773986,1.083877859,1.026542737,1.331807955,0.974443517,1.339449836,0.88256094,1.298724935,1.11623394,0.993506344,1.262645809,0.992511727,1.27374283,0.735466764,1.361728566
548,C27 H42 N O2,Benzethonium Esi+10.278002,394.2916,10.278002,0.134466447,0.092388701,0.085258577,0.155439429,0.101699475,0.00241379,0.157177663,-0.064200712,-0.047333418,-0.084323099,-0.05539726,-0.101285581,-0.016283204,-0.095094895
549,C27 H55 N O6 P,PC(P-19:1(12Z)/0:0),520.3773,13.227033,0.519291651,0.626737732,0.236655313,0.675267811,0.277553035,0.501736275,0.39692745,-0.167673183,-0.212699563,-0.113957503,-0.16341928,-0.184249218,-0.124558735,-0.195470657
550,C30 H57 O8 P,PA(15:1(9Z)/12:0),576.3839,11.749019,1.00288069,1.004969382,1.023761713,1.052275461,0.840821368,1.163580718,0.931228889,0.540387228,0.590232039,0.480923244,0.600064259,0.426958152,0.676845511,0.452407546
551,C19 H43 N25,C19 H43 N25 Esi+11.733971,621.4373,11.733971,0.120952154,0.009606798,0.376455168,0.042874493,0.305433966,0.198878487,0.179145001,0.094020799,0.043797579,0.153936221,0.088826432,0.080873252,0.141614296,0.063335519
552,C21 H33 F O5,9a-Fluorotetrahydrocortisol,384.2345,5.4129996,0.700964934,0.650369089,0.751319951,0.836465493,0.607910007,0.881161081,0.586712714,0.291168581,0.285126077,0.298377183,0.319295741,0.243194094,0.368950299,0.241019842
553,C37 H73 N2 O7 P,"PE-Cer(d15:2(4E,6E)/20:0(2OH))",710.4968,13.35797,0.564188501,0.713755188,0.240096852,0.758903303,0.265833816,0.592649835,0.422189719,-0.205850692,-0.280805287,-0.116431176,-0.208739562,-0.213307133,-0.175590488,-0.225360561
554,C14 H22 O5,C14 H22 O5,270.1467,7.4919763,0.116907003,0.202005204,0.032901926,0.271022911,0.031686413,0.021922795,0.19878937,-0.056012196,-0.086855201,-0.019217033,-0.094387821,-0.022845689,0.031699688,-0.11256328
555,C41 H75 O8 P,"PA(18:0/20:3(8Z,11Z,14Z))",725.5027,12.916993,0.464669677,0.584188304,0.148554369,0.609978091,0.187279839,0.43500849,0.336949642,-0.153377901,-0.219312087,-0.074719575,-0.148485873,-0.173514164,-0.116395039,-0.177222115
556,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol",184.0737,3.8040032,0.090709578,0.244388701,0.062886249,0.222482452,0.009998744,0.080064636,0.222690964,-0.096171074,-0.229814446,0.063263123,-0.152473769,-0.05225618,0.10125692,-0.223460176
557,C37 H66 O7,Gigantetronenin,644.458,13.59698,0.37415001,0.507325913,0.041602716,0.529819429,0.117149621,0.355110978,0.237268152,-0.107465072,-0.167840087,-0.035438738,-0.107036082,-0.122804047,-0.078102307,-0.126396328
558,C8 H18 O5,C8 H18 O5,194.115,3.2990074,1.278279126,1.169217824,1.402559277,1.513730184,1.08941448,1.513534264,1.05895666,0.390981266,0.388101562,0.394416702,0.421986723,0.341570279,0.503081698,0.318705987
559,C21 H34 O8,"methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate",436.2049,12.272969,2.222870953,1.950293354,2.540161597,2.106933251,2.452115332,2.107155024,2.331963101,3.681943394,3.258022654,4.1876734,3.42777529,4.032361241,3.409651395,3.857500078
560,C51 H97 O13 P,PI(22:0/20:1(11Z)),970.6399,12.836978,0.922384689,0.858638865,1.064722277,0.928897816,0.855716416,1.032967079,0.907213022,0.624465941,0.625701575,0.622991853,0.674312338,0.52585141,0.750110906,0.543458004
561,C42 H73 O9 P,"PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))",752.4889,11.302001,1.105267131,1.07698116,1.156239172,1.126202375,0.972623508,1.220268699,1.04747414,0.615579863,0.640627701,0.58569823,0.660242693,0.519951662,0.730675723,0.541373321
562,C25 H52 N2,C25 H52 N2,380.4131,13.608959,1.038350675,1.332947074,0.557413864,1.125557877,1.002594617,1.303181068,0.882529719,-0.415905429,-0.579254216,-0.221033192,-0.372601756,-0.47006702,-0.509876599,-0.355318753
563,C16 H28 O7,"2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid",332.1838,9.593995,1.98083935,1.777790672,2.146036981,1.82829936,2.114705206,1.845746878,2.019182735,2.638580179,2.404093518,2.918318652,2.538814584,2.784678632,2.487951029,2.735696342
564,C41 H70 O12,Chikusetsusaponin Ia Esi+15.87402,771.5123,15.87402,0.456417239,0.510187917,0.30494145,0.497105484,0.284602894,0.317553457,0.421416671,-0.409144082,-0.591940397,-0.191071285,-0.39681099,-0.42805578,-0.28729455,-0.487704964
565,C36 H62 O9,Ginsenoside F1,621.4131,11.731998,0.015811971,0.170276749,0.29227447,0.134392727,0.197511345,0.077548041,0.045021357,0.037198149,-0.024958396,0.111349816,0.016680885,0.042910691,0.081627553,0.008552875
566,C40 H75 N O8 P,"PC(14:1(9Z)/18:2(9Z,12Z))",745.5531,13.413026,0.114738415,0.16897363,0.102495112,0.179457264,0.044197435,0.020868984,0.050482557,0.003301025,-0.028143335,0.040813594,0.025107018,-0.045509665,0.09127899,-0.053421611
567,C19 H26 N13 O2,C19 H26 N13 O2,468.2331,10.004984,1.115465472,0.912764334,1.378813973,1.056605307,1.160461618,1.039645332,1.166347473,1.516375619,1.30940648,1.763286172,1.488606656,1.554037577,1.439312847,1.566060828
568,C10 H14 O4,Guaifenesin,198.0898,4.7429996,0.579499698,0.850775024,0.09412784,0.700333177,0.440260605,0.548386919,0.535147357,-0.383979069,-0.599127952,-0.127310225,-0.408338116,-0.343376522,-0.380427076,-0.386269169
569,C15 H29 N17 O6 P,C15 H29 N17 O6 P,574.2255,5.5560174,0.035889673,0.200482235,0.279582821,0.015823573,0.086375758,0.124378215,0.030720712,0.075307926,0.180644502,-0.05035676,0.034930008,0.139669003,0.095622002,0.062210694
570,C41 H72 N O7 P,"PE(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",721.4959,13.521977,0.984694161,1.022511815,0.803109339,0.759453134,1.085734653,0.864220541,0.955115261,-0.377288605,-0.480155626,-0.254570055,-0.252411553,-0.536078341,-0.362398963,-0.386888506
571,C27 H46 O3,"7alpha,25-dihydroxycholesterol",440.3223,12.452961,0.481100596,0.536599465,0.278031799,0.570208,0.329967108,0.351165563,0.437701722,-0.144806035,-0.179949471,-0.102880533,-0.124561817,-0.186956947,-0.079945695,-0.186623886
572,C5 H4 N4 O,Allopurinol Esi+0.84199876,136.0384,0.84199876,0.947445746,1.056503664,0.544017846,0.900419169,0.817710759,0.886695704,0.828040001,-0.616213642,-0.913349327,-0.261735982,-0.643772009,-0.578045623,-0.786501796,-0.506422595
573,C34 H58 O6,Campesteryl glucoside Esi+15.336967,562.4211,15.336967,1.114671093,1.262350077,0.705968643,1.013538853,1.165653446,1.042227983,1.046005703,-0.723813119,-0.918305635,-0.491786958,-0.567918744,-0.936796187,-0.643148205,-0.77582076
574,C31 H45 N5 P,C31 H45 N5 P,518.3429,10.993983,0.918187548,0.96570697,0.81535019,0.980617044,0.7165766,1.017010284,0.831381013,0.484268687,0.570700052,0.381157586,0.563236382,0.342288332,0.602389675,0.408111734
575,C20 H22 O6,"(7'x,8'x)-4,7'-Epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol",358.1416,11.64202,0.116186799,0.219230658,0.220861471,0.026677084,0.11033749,0.072907006,0.046654244,-0.046635603,-0.253924255,0.200656122,-0.015481626,-0.121170555,-0.045252292,-0.047527474
576,C27 H51 N O7,C27 H51 N O7,501.3626,13.653017,0.871709418,0.863325839,0.606370876,0.695803811,0.837370598,0.831203479,0.737677669,-0.305187173,-0.407386188,-0.18326554,-0.250560863,-0.36979234,-0.350992132,-0.275655028
577,C23 H38 O8,C23 H38 O8 Esi+13.023984,442.2567,13.023984,1.522890841,1.218301644,1.815178529,1.399736881,1.638327965,1.411151799,1.577964082,1.689992022,1.432105841,1.997645711,1.573163783,1.859002504,1.502004591,1.811194444
578,C6 H14 O3,"Polypropylene glycol (m w 1,200-3,000) Esi+3.7210052",134.094,3.7210052,0.018898412,0.121944716,0.099500803,0.066321229,0.03542583,0.152633102,0.05472034,-0.083565747,0.003556557,-0.187501127,-0.029468983,-0.151591442,0.037225376,-0.161444234
579,C13 H22 N6 O4,C13 H22 N6 O4 Esi+7.9040213,326.1704,7.9040213,1.969323345,1.810149346,2.144524665,1.778998638,2.330345501,1.628545212,2.23992817,2.669000168,2.373258011,3.021815373,2.276043298,3.184147346,2.094945791,3.039114174
580,C20 H34 O8,Acetyl tributyl citrate Esi+9.878008 :1,402.2254,9.878008,0.686624906,0.742016117,0.489603973,0.794404197,0.449232641,0.642707476,0.597642302,-0.872758615,-1.077230517,-0.628827223,-0.914214747,-0.813050616,-0.900208919,-0.855060392
581,C13 H14 N4 O,Diphenylcarbazide,242.1156,9.672016,0.779586272,0.924024828,0.432043564,0.837183419,0.628506535,0.843699903,0.671545776,-0.42875729,-0.555096122,-0.27803728,-0.454449048,-0.392611458,-0.423382439,-0.432222655
582,C16 H13 N3 O21 P S,C16 H13 N3 O21 P S,645.949,12.2460165,0.234020783,0.332632587,0.027617042,0.353130239,0.010203535,0.1597385,0.150704922,-0.057655441,-0.105297633,-0.000819143,-0.058589176,-0.074907056,-0.006774784,-0.090460076
583,C22 H38 O9,C22 H38 O9,446.2512,9.180019,1.05702962,0.987770966,1.330119023,0.894924166,1.211107285,0.94659587,1.253204771,-2.492023927,-2.184281306,-2.859155474,-2.470138996,-2.431223539,-2.326475572,-2.598759051
584,C45 H70 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi+14.634021",690.5227,14.634021,1.420095771,1.426629206,1.362526698,1.51385189,1.31109845,1.521355495,1.296375154,-0.701766677,-0.632925193,-0.78389336,-0.671770714,-0.735418922,-0.67829479,-0.716899868
585,C26 H41 N O4,Malyngamide H,431.3021,9.885988,0.549108357,0.662859336,0.433304767,0.804252831,0.220222598,1.00407736,0.252096226,-1.01180691,-1.356829786,-0.600200673,-1.472179559,-0.354313976,-1.761532522,-0.528431187
586,C23 H44 N O4,trans-Hexadec-2-enoyl carnitine,397.3186,11.751974,0.060151846,0.071100118,0.306252807,0.086118579,0.166242521,0.158478314,0.12466936,0.143191526,0.071472428,0.228751151,0.147379764,0.126944244,0.157227446,0.134142051
587,C8 H12 N2 O6,Kifunensine,232.0689,6.35099,1.296103143,1.238772649,1.177625338,1.218146634,1.175512557,1.090854127,1.279348509,-1.318307843,-1.412868793,-1.205498289,-1.240241663,-1.422455687,-1.290723807,-1.336092288
588,C9 H15 N O,C9 H15 N O,153.1212,6.8170085,0.044551384,0.100948106,0.081164191,0.008972089,0.01728769,0.034067153,0.008311269,0.016299571,0.100845458,-0.084562189,0.080022729,-0.029373661,0.093630561,-0.033558568
589,C29 H42 O5,"(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione",487.335,6.7209826,0.530568764,0.325448639,0.821274474,0.593711328,0.466064869,0.265752619,0.646680385,-0.269197409,-0.142854858,-0.419921856,-0.246022897,-0.320255701,-0.10635636,-0.374187033
590,C46 H82 N O10 P,"PS(18:2(9Z,12Z)/22:2(13Z,16Z))",838.562,13.160964,0.915825978,0.884400609,1.030958229,0.900081462,0.875514516,1.0595092,0.895252594,0.56062183,0.577467039,0.540525792,0.595122497,0.485861248,0.688713221,0.478036591
591,C28 H53 N O10 P S,C28 H53 N O10 P S,626.3108,5.7760005,1.095030819,0.971069374,1.199028358,1.011914922,1.259958135,1.228472982,0.982168556,0.934452541,0.928879238,0.941101395,0.801462332,1.125849823,0.938424549,0.931891641
592,C6 H12 O6,D-Fructose,180.0639,0.96699834,0.271211344,0.080733025,0.591758203,0.212639297,0.450523728,0.073932556,0.501485627,0.327936028,0.251469296,0.419159497,0.30399501,0.352945588,0.236085238,0.387155616
593,C26 H42 N2 O6 S,Leukotriene D4 methyl ester,510.2806,11.350013,1.097858772,0.919051077,1.359911751,1.036011351,1.143871654,1.052856992,1.143694795,1.687111576,1.474743329,1.94046317,1.673423417,1.674499665,1.636468652,1.719762935
594,C39 H71 O10 P,"PG(20:3(8Z,11Z,14Z)/13:0) Esi+15.052982",729.4664,15.052982,0.778252063,0.831526427,0.599694844,0.787827296,0.594333972,0.585387013,0.744598801,-0.588129392,-0.730509765,-0.418272106,-0.555475775,-0.624521159,-0.453615495,-0.674855458
595,C19 H40 O4,C19 H40 O4,332.2924,14.5049515,0.881732158,1.022714782,0.239241915,0.801047694,0.683609176,0.896452356,0.62052059,-0.445073237,-0.637308802,-0.215739581,-0.458264543,-0.431469806,-0.550952663,-0.376808871
596,C43 H73 O7 P,"PA(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",732.5105,13.291993,0.596642925,0.701879663,0.289170491,0.723060205,0.337950804,0.615866827,0.442120122,-0.226256545,-0.279882704,-0.162281479,-0.208996764,-0.261748206,-0.201515776,-0.242207831
597,C30 H46 N4 O6,C30 H46 N4 O6,558.3481,13.440979,0.6689422,0.710466235,0.455029522,0.517741572,0.737968923,0.502673792,0.719363321,-0.497199848,-0.631655613,-0.33679648,-0.329898398,-0.70915717,-0.425076916,-0.54370016
598,C27 H46 O9,C27 H46 O9,514.3202,12.18898,2.285687251,2.232865269,2.362096991,2.341873843,2.294973338,2.254975292,2.342338296,1.902743555,1.831903447,1.987254561,1.886026478,1.914230907,1.918058714,1.892869308
599,C16 H24 O7,Cymorcin monoglucoside,328.1519,13.862043,1.350971576,1.72214253,0.931610938,1.547323588,1.267972036,1.66624891,1.271217037,-0.834849509,-1.066736065,-0.558212915,-0.800829611,-0.859623718,-0.860493152,-0.818316107
600,C23 H32 N4 O4,Nummularine F Esi+12.875,428.2411,12.875,1.780044164,1.448008899,2.104883387,1.612458666,1.964137003,1.628200255,1.848489837,2.415173512,2.110477407,2.778670619,2.208258792,2.711965375,2.213922555,2.544927418
601,C36 H50 O5,"11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrocholecalciferol",562.3685,10.892997,0.837398373,0.892823352,0.724402591,0.89489368,0.638831035,0.969429906,0.723151552,0.44832897,0.52512334,0.356714634,0.518162964,0.320193744,0.582375192,0.361904432
602,C27 H49 N O8,C27 H49 N O8,515.3464,14.3459635,0.224157492,0.238329869,0.302499401,0.391796458,0.072315428,0.576728214,0.134702663,0.345888929,0.342732132,0.349654932,0.478450659,0.152575953,0.617022703,0.171078995
603,C26 H46 O6,27-Norcholestanehexol,454.327,15.18097,1.072795929,1.26669202,0.783369273,1.173590523,1.03942419,1.25628186,0.964947813,-0.544182601,-0.621469459,-0.451980735,-0.573206919,-0.522215068,-0.633085299,-0.486863756
604,C6 H13 N O2,Aminocaproic acid Esi+0.88000137,131.0946,0.88000137,0.240443395,0.259815203,0.263842826,0.19360321,0.205995388,0.260505992,0.044669578,-0.018086206,-0.094008237,0.072487446,-0.003984846,-0.040868577,-0.072516881,0.017007256
605,C42 H68 O14,Jujubasaponin VI,796.4584,13.614012,1.851356673,1.632809494,2.141084397,1.860746887,1.904428271,1.774368669,1.939817336,1.961828439,1.74937779,2.215278336,1.908723873,2.020666954,1.798811161,2.066931684
606,C12 H24 N O4,pivaloylcarnitine,245.1623,4.474989,0.560081312,0.831434281,0.133816166,0.799511591,0.336044831,0.76998101,0.3981488,0.353005537,0.650043858,-0.001355968,0.535025975,0.106114238,0.571845664,0.211911245
607,C19 H30 N6 O7,C19 H30 N6 O7,454.2179,9.447016,1.297412099,1.184562839,1.320604798,1.246685868,1.264501792,1.302835936,1.242470695,2.108301902,2.003765277,2.233012263,2.122267518,2.048633337,2.150522896,2.081080473
608,C7 H16 O3,C7 H16 O3,148.11,4.555,0.793831184,0.739584503,0.672795023,0.838261525,0.767876042,0.806754801,0.726533726,-0.266345827,-0.319174062,-0.20332267,-0.250708836,-0.296644215,-0.277682614,-0.259036582
609,C32 H48 O6,"(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid",545.3766,7.3399916,0.57906693,0.40466428,0.834186108,0.685261378,0.452347405,0.365845189,0.645937519,-0.286982477,-0.174584587,-0.421071189,-0.274830698,-0.325233399,-0.145745685,-0.378043041
610,C13 H2 N O15 P S2,C13 H2 N O15 P S2,506.863,12.176021,0.127647557,0.225884285,0.130076845,0.233990969,0.060104909,0.048988458,0.051200325,-0.010936056,-0.052900736,0.039127071,-0.006757368,-0.034832485,0.043707787,-0.046166955
611,C30 H36 O4,Sophoranone Esi+9.547007,460.2666,9.547007,0.667930628,0.686687808,0.51085859,0.68489379,0.521602613,0.855673404,0.438255772,0.758648453,0.799462469,0.709958047,0.905963519,0.536952632,1.003885905,0.600534832
612,C10 H18 O21 S4,Pentosan Polysulfate,601.923,12.395016,0.331619339,0.453857208,0.012535488,0.465206418,0.081298031,0.278429588,0.227497167,-0.087260326,-0.146386359,-0.016724007,-0.081760499,-0.110843193,-0.04528056,-0.114326228
613,C36 H62 O9,Ginsenoside F1 Esi+11.731998,621.4254,11.731998,0.076484458,0.059214654,0.371167435,0.031596456,0.288638203,0.171911368,0.144124793,0.069089973,0.018865461,0.129006935,0.049720539,0.073240537,0.127040419,0.031727186
614,C10 H18 O5,5-hydroxysebacate Esi+5.548994,218.1153,5.548994,0.107240985,0.181515184,0.04286159,0.227747599,0.015480057,0.076432467,0.069832099,-0.103777986,-0.201096925,0.012321802,-0.159388193,-0.039401286,-0.106056491,-0.102308949
615,C24 H42 O8,C24 H42 O8,458.2894,11.86697,0.025037859,0.165761305,0.240758318,0.025090021,0.070346255,0.05507232,0.029838219,-0.014557247,0.197100637,-0.267061388,0.085986123,-0.162097897,-0.001680826,-0.02285915
616,C27 H29 N O,JWH213,383.226,6.1800137,0.635860544,0.224696258,0.986592473,0.324908229,0.91695484,0.331550878,0.734021659,0.606143261,0.2508796,1.029966576,0.378453549,0.928384458,0.338206517,0.778891952
617,C12 H20 O5,"Polyethylene, oxidized Esi+5.8790174",244.1312,5.8790174,1.168104076,1.009033835,1.489454663,1.134739055,1.214305725,1.201550296,1.189284233,0.784878864,0.677259841,0.913266469,0.794060168,0.752133061,0.829888699,0.755859364
618,C15 H8 N5 O18 P S,C15 H8 N5 O18 P S,608.9305,12.883038,0.370766727,0.503362054,0.051350699,0.534667118,0.106178956,0.379432117,0.234373118,-0.09389445,-0.150565118,-0.026287337,-0.091998129,-0.109054233,-0.068514849,-0.110257614
619,C16 H24 N2 O3,Decanoyl m-Nitroaniline,287.2198,6.9270015,0.844428011,0.955698717,0.513389783,0.679257952,0.969122143,0.630922401,0.956622138,0.726593648,0.917669686,0.498643287,0.677120579,0.794903655,0.666594732,0.76527716
620,C16 H O21 P,C16 H O21 P,559.8733,12.56201,1.896832765,1.904313155,1.855177098,1.91756904,1.857185815,1.95319772,1.871856397,1.258577759,1.317816307,1.18790721,1.272870672,1.217738212,1.334132038,1.209865131
621,C16 H28 N4 O4,Pro Pro Lys,340.2085,5.1839986,0.105352405,0.043558232,0.202875572,0.251898735,0.014865125,0.203371657,0.033381453,0.047568009,-0.01319807,0.120060875,0.128275261,-0.037109504,0.126694939,-0.003448038
622,C34 H72 N O6 P,PE-NMe(O-14:0/O-14:0),643.4864,13.127988,0.109272105,0.158901276,0.090553851,0.155499013,0.022797213,0.024513215,0.055669127,0.000667301,-0.022292899,0.028058416,0.027794919,-0.054985134,0.087598995,-0.055380766
623,C12 N O16 P S2,C12 N O16 P S2,508.8392,12.178971,1.767744015,1.792112462,1.845585768,1.795641857,1.806081217,1.831409956,1.829424834,0.929797837,0.972707033,0.878607919,0.956916961,0.870592524,0.989659404,0.89120288
624,C33 H65 N O6 P S,C33 H65 N O6 P S,634.4256,12.428972,1.285529577,1.294890646,1.27798831,1.320596556,1.112293777,1.416961526,1.209717827,0.692661202,0.751266712,0.622745857,0.75176406,0.584130747,0.825708181,0.606880913
625,C28 H53 O12 P,PI(19:1(9Z)/0:0) Esi+5.696009,612.332,5.696009,0.990270561,0.904825716,1.015580643,1.036093569,1.04622556,1.180321126,0.794731453,0.58187041,0.531035314,0.642515787,0.493602479,0.704689293,0.633083315,0.548851564
626,C7 H13 N O,1-(1-Pyrrolidinyl)-2-propanone,127.0997,5.012001,1.379005836,1.599241928,1.080936908,1.63573696,1.267337147,1.664386656,1.25882455,-0.804828682,-1.059063863,-0.501530572,-0.8554261,-0.727494319,-0.880901279,-0.755781877
627,C18 H30 O3,"3,4-Dimethyl-5-pentyl-2-furanheptanoic acid",294.2187,13.039005,0.040664382,0.075349096,0.038999838,0.049866994,0.039732636,0.153344842,0.008205162,0.049256746,0.04896849,0.049600632,0.053249667,0.006314977,-0.011956547,0.088723212
628,C13 H N2 O20 P,C13 H N2 O20 P,535.8842,12.639971,0.270024704,0.377961581,6.21E-05,0.412378205,0.040011267,0.229390431,0.163925203,-0.062015773,-0.107645684,-0.007580089,-0.060662318,-0.07852954,-0.022996915,-0.087172668
629,C15 H29 N O5,C15 H29 N O5,303.204,5.7309923,1.43810883,1.569208023,1.024185046,1.199518226,1.548063154,1.385446828,1.37378609,1.200909629,1.480207926,0.867711662,1.051925934,1.413782226,1.243552484,1.17341621
630,C17 H28 O2 S,S-Farnesyl Thioacetic Acid,296.183,4.706002,0.100053388,0.352784399,0.169155798,0.156700046,0.04221777,0.322303371,0.084925997,0.007678452,0.143123672,-0.153905319,0.062909155,-0.093205144,0.172863644,-0.098822527
631,C17 H31 N O4,C17 H31 N O4 Esi+8.511986,313.225,8.511986,0.371024158,0.459302044,0.26249663,0.327965338,0.539627953,0.362338512,0.426508857,0.235825627,0.371324153,0.074178261,0.192333902,0.290731911,0.254219436,0.22396646
632,C16 H28 N4 O4,Pro Pro Lys Esi+4.9739995,340.2093,4.9739995,0.042128281,0.166069992,0.137943096,0.069925731,0.028372352,0.09796678,0.036693012,-0.013001389,0.053760638,-0.092647315,0.031836394,-0.0566145,0.067094381,-0.064642083
633,C26 H44 O8,Goshonoside F2 Esi+14.055976,484.3039,14.055976,0.746953267,0.441470136,1.059045986,0.620372183,0.835463596,0.636054001,0.805812117,0.769040829,0.521610477,1.064220898,0.671393952,0.903199382,0.639380927,0.852637345
634,C19 H2 O20 S,C19 H2 O20 S,581.8861,12.456036,1.68986711,1.744994063,1.729965071,1.76307751,1.681598439,1.767690384,1.735151721,0.866809053,0.917197572,0.806696434,0.905511425,0.793604834,0.925954163,0.828676021
635,C33 H60 O10,Nonoxynol-9 Esi+13.791993,633.4451,13.791993,0.483482723,0.581137785,0.318776518,0.653525318,0.343941512,0.472780391,0.434500634,-0.269807149,-0.363213164,-0.158375412,-0.220402014,-0.332413496,-0.225745283,-0.298215457
636,C14 H10 O8,2-Protocatechoylphloroglucinolcarboxylate,306.0361,1.6459984,0.711014949,0.76452251,0.632563499,0.561219447,0.805116125,0.782977928,0.6465934,1.200475839,1.129099409,1.285626668,1.222413374,1.166631104,1.253289267,1.166425077
637,C31 H59 N O8,C31 H59 N O8,573.4127,9.538983,0.495725855,0.504881211,0.449439865,0.713367852,0.220192406,0.505116375,0.431433955,-0.46858922,-0.475613163,-0.460209781,-0.61429405,-0.273172491,-0.399143925,-0.513363161
638,C20 H40,1-Eicosene,297.3388,12.114012,0.301443281,0.342863362,0.188893273,0.28644333,0.311724365,0.304061688,0.256213065,-0.02772624,-0.095057742,0.052599061,0.022275533,-0.093120949,-0.023774435,-0.030274114
639,C21 H22 Cl F N4 O2,Halopemide,416.1422,4.836994,0.640232376,0.642574585,0.716289628,0.404201461,0.826927844,0.825914469,0.541388368,1.035887381,0.973298777,1.110554488,0.947032337,1.105978526,1.416317607,0.790609999
640,C20 H50 N14 O2 P,C20 H50 N14 O2 P,549.3978,13.555978,0.297741,0.41209952,0.01178604,0.431261881,0.076444765,0.264868335,0.177207062,-0.081293355,-0.125149576,-0.028973654,-0.072943691,-0.10531104,-0.038558387,-0.108846164
641,C14 H22 O6,C14 H22 O6,286.1415,8.68399,0.566991038,0.788862853,0.158099994,0.567341666,0.449581685,0.480027405,0.580539268,-0.609006789,-0.888448009,-0.275638315,-0.64573568,-0.529757702,-0.662238523,-0.574686328
642,C56 H99 N O13,FMC-5(d18:1/22:0),993.7154,13.770997,0.07103159,0.158893709,0.20687593,0.137454224,0.092455384,0.075730065,0.020305839,0.037467549,-0.013949486,0.09880717,0.064905039,-0.020327517,0.137114801,-0.026778705
643,C43 H72 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",391.7404,6.180014,1.18896949,1.032350309,1.384242982,1.028244161,1.453100225,1.167689951,1.179774268,0.977558857,0.684590896,1.327064493,0.710960331,1.345111076,0.741598041,1.129691488
644,C46 H90 N O10 P,PS(18:0/22:0),847.6215,13.655025,0.090054136,0.160960685,0.158530699,0.142274478,0.058479432,0.066252801,0.037730311,0.02217796,-0.018205902,0.070355198,0.054417374,-0.041388382,0.124469727,-0.043773312
645,C14 H21 N3 O9 S,S-Succinylglutathione,424.1281,10.029028,1.467936776,1.271773505,1.685850475,1.335597607,1.800923242,1.009263199,1.806807699,0.969566998,0.808513308,1.161701225,0.826006547,1.242947109,0.645747741,1.178345203
646,C20 H41 N O3,Dihydroceramide C2,343.3086,12.291993,1.006474971,1.296305784,0.470524701,1.21643457,0.764346796,1.347226925,0.769167621,-0.364886089,-0.502124764,-0.201162758,-0.388807485,-0.322891609,-0.483909754,-0.288147147
647,C32 H54 N3 O9,C32 H54 N3 O9 Esi+13.5,624.3858,13.5,0.845357804,0.640013884,1.148062189,0.780229365,0.910173974,0.719744914,0.962601647,0.727401001,0.583431425,0.899154179,0.705170098,0.748628801,0.620307067,0.796448406
648,C21 H44 O5,C21 H44 O5,376.3187,14.502982,0.562590822,0.807319325,0.025495825,0.516267561,0.451525261,0.657590167,0.361847903,-0.230528274,-0.424645909,0.001050659,-0.225259028,-0.247824306,-0.316366491,-0.175185213
649,C18 H4 N2 O13 P S2,C18 H4 N2 O13 P S2,550.8891,11.977032,0.289328004,0.146956561,0.544583909,0.251408721,0.293484918,0.3859936,0.283752696,0.161066699,0.12143006,0.208352514,0.170529605,0.127322695,0.22598795,0.119209577
650,C28 H55 N O7 P,"PC(20:2(11Z,14Z)/0:0)",565.3927,11.396978,0.063312984,0.025722018,0.261102689,0.03622387,0.176672249,0.13254945,0.070130133,0.072065974,0.037127261,0.113747247,0.078898944,0.038488172,0.145282629,0.0248605
651,C31 H45 N3 O4 S,Pateamine Esi+11.474984,554.3075,11.474984,2.428197351,2.249231267,2.647157943,2.359016264,2.57952854,2.264822828,2.542840364,4.872306278,4.465345793,5.357802996,4.589181905,5.239642635,4.59237342,5.052789304
652,C17 H19 N O3,(-)-Morphine Esi+10.543969 :1,285.1366,10.543969,0.258092955,0.360541691,0.028742738,0.417371807,0.043654893,0.241647398,0.150919347,-0.050296191,-0.24245875,0.178950371,-0.034841967,-0.073551168,-0.016057226,-0.072371312
653,C12 H2 O22 P,C12 H2 O22 P,528.8761,12.1289835,0.734411995,0.578978986,0.872951691,0.647705659,0.714401307,0.712147518,0.737607601,0.40463541,0.368694561,0.447512212,0.40673351,0.382347573,0.439306554,0.382281646
654,C25 H43 N O6,10-Deoxymethymycin,461.8186,11.06299,0.265518092,0.191584813,0.420602951,0.211135759,0.329082659,0.38821428,0.248435748,0.162958945,0.152701942,0.17519537,0.182122099,0.107232339,0.262876014,0.09853873
655,C21 H40 O4,3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate,373.3188,11.275967,0.639794173,0.643500465,0.507053691,0.531866319,0.71491705,0.475481174,0.684556179,-0.595712391,-0.740501901,-0.422981046,-0.560875,-0.684361148,-0.556061672,-0.621276671
656,C27 H46 N7,C27 H46 N7,468.381,15.150945,1.698216585,1.856039,1.471775445,1.795566969,1.593387656,1.777836187,1.656055581,-1.307245534,-1.556749662,-1.009591486,-1.261495537,-1.38753767,-1.2313972,-1.356147749
657,C19 O13 P S2,C19 O13 P S2,530.8521,12.13796,2.017616892,1.980685617,1.986385337,2.036341048,1.878381221,2.045633491,1.960103552,1.347428503,1.384862072,1.302770912,1.375643267,1.284369655,1.418051805,1.301895058
658,C50 H84 O7 P2,Decaprenyl diphosphate,880.5517,14.677982,0.529626679,0.417074083,0.593956412,0.517152986,0.500918065,0.577928534,0.502543134,0.469110048,0.43951098,0.504421217,0.50813234,0.411538418,0.568066176,0.405309387
659,C17 H37 N O2,C17 Sphinganine Esi+9.654027,287.2824,9.654027,1.706370304,1.847677272,1.825135229,1.825788192,1.958477914,1.949937294,1.806153559,-0.781278843,-0.741110093,-0.829199457,-0.720703062,-0.875846764,-0.742704039,-0.80614944
660,C34 H61 N O2,"1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone]",514.4598,4.6320024,0.862361868,0.942914645,0.588992778,0.90210999,0.784322932,0.792498021,0.905906838,0.451510165,0.616628413,0.254526992,0.475616316,0.423710097,0.453310425,0.450349471
661,C16 H33 N O3,Lauroyl diethanolamide,287.2459,11.12899,0.644715739,0.874996282,0.01050647,0.711984706,0.426191241,0.714636013,0.490388736,-0.180541529,-0.333124807,0.001487645,-0.194724441,-0.166111135,-0.233980527,-0.146087438
662,C12 H20 O5,"Polyethylene, oxidized Esi+6.338991",244.1311,6.338991,0.476005379,0.419814702,0.631635708,0.499432674,0.432482733,0.539260732,0.495206436,0.310148247,0.232964226,0.40222743,0.347029125,0.248657046,0.339429321,0.29126966
663,C20 H32 O8,Cincassiol B,400.2101,11.730975,1.106264457,0.825925039,1.527054721,1.162333585,1.098593144,1.111883633,1.159513939,1.073076104,0.782120424,1.420181126,1.076528148,1.087156279,0.994225824,1.123913785
664,C15 H26 O5,C15 H26 O5,286.1778,8.021981,0.870393483,0.629759653,0.98447855,0.587097818,1.093043425,0.530941767,1.007872528,1.051974591,0.859256501,1.281883891,0.78407619,1.417466689,0.706161464,1.274933054
665,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.577963",550.3112,12.577963,1.013313255,0.827037268,1.171395109,0.957190572,1.075859426,0.876216794,1.089908002,1.270790115,1.02469209,1.564380742,1.103965317,1.518820976,1.065795538,1.402957671
666,C13 H29 N2 O6,C13 H29 N2 O6,309.2018,6.926017,0.786479706,0.931476078,0.447905894,0.607232504,0.90949621,0.525343767,0.938551234,0.731019922,0.943123998,0.477983482,0.659555096,0.828722648,0.61973555,0.802769057
667,C17 H15 N3 O21 P S,C17 H15 N3 O21 P S,659.9645,13.120041,0.605227194,0.736882531,0.272303697,0.774838363,0.312778676,0.623964017,0.448463051,-0.214644974,-0.284341626,-0.13149809,-0.220171147,-0.217726913,-0.197164225,-0.225915456
668,C15 H8 O23 P,C15 H8 O23 P,586.9175,12.943038,0.390852417,0.519180141,0.070440251,0.550903836,0.126355337,0.381550765,0.252332561,-0.111589469,-0.166298272,-0.046322827,-0.113095758,-0.122293849,-0.082626672,-0.130262851
669,C19 H35 N O4,CAY10580,341.2564,9.489012,0.666667324,0.653709977,0.619463833,0.675827418,0.633483576,0.826650668,0.596743101,0.53226436,0.561342324,0.49757486,0.503758595,0.564412902,0.588843804,0.495785508
670,C13 H25 N O3,C13 H25 N O3,243.1835,8.258026,1.019129451,1.128871152,0.571285649,1.057660786,0.770008463,1.25792315,0.811886976,-0.476782522,-0.605475544,-0.323254005,-0.568676493,-0.350235426,-0.625426677,-0.380946159
671,C32 H56 O5,C32 H56 O5 Esi+16.158983,520.4129,16.158983,1.192026066,1.318908452,0.832079011,1.184352689,1.056201508,1.077680277,1.171442948,-0.918271859,-1.17856725,-0.607744025,-0.894072649,-0.964928207,-0.878865634,-0.943678504
672,C48 H91 O12 P,PI(P-20:0/19:1(9Z)) Esi+14.891046,889.6117,14.891046,0.735715914,0.809219907,0.533549999,0.757022073,0.553648238,0.612727955,0.678390276,-0.680741318,-0.901150358,-0.4177972,-0.630429313,-0.754438544,-0.589052293,-0.73985661
673,C12 H26 O5,C12 H26 O5,250.1774,6.900016,0.06457763,0.06875211,0.041181629,0.000230756,0.045278401,0.098124268,0.043030235,-0.023156693,-0.067074306,0.02923625,-0.026491158,-0.043925354,-0.036016997,-0.014865181
674,C20 H38 N6 O4,Leupeptin,426.2957,14.272965,1.619899128,1.7743041,1.491499161,1.583433809,1.620208084,1.799484289,1.523801692,-1.027006301,-1.10314525,-0.936173872,-1.069247813,-0.97402544,-1.130535983,-0.960256902
675,C16 H28 N6 O4,Pro Arg Pro,368.2171,9.816993,2.305896672,2.156104318,2.567202955,2.200526762,2.582342127,2.147445641,2.484068037,2.863168808,2.518607151,3.274224819,2.555494181,3.275821653,2.55886804,3.059362724
676,C33 H58 O11,Kurilensoside F,630.4014,13.929987,1.148220357,0.877478362,1.570068893,1.246279236,1.089964764,1.208219881,1.139231499,1.178899093,0.968453424,1.429957084,1.28746151,1.047550101,1.209007829,1.159486882
677,C16 H16 N O23 P S,C16 H16 N O23 P S,652.9569,12.715023,0.405445197,0.574356121,0.054311895,0.58143296,0.130732459,0.420229783,0.286731547,-0.127241158,-0.202505206,-0.037452468,-0.137360147,-0.128450489,-0.106219861,-0.140794362
678,C11 H20 N2 O3,L-isoleucyl-L-proline Esi+0.86500186,228.1474,0.86500186,0.55503162,0.661277301,0.364250952,0.053489358,1.107683074,0.303728487,0.714626345,0.243771716,0.32279998,0.149492383,0.147615462,0.369593049,0.198629015,0.272876878
679,C28 H52 O5,C28 H52 O5 Esi+14.871031,468.381,14.871031,1.594232617,1.772290114,1.353180446,1.692228569,1.476026413,1.711304077,1.501676808,-1.357062477,-1.621041281,-1.042140395,-1.367146787,-1.359445951,-1.418088519,-1.317716739
680,C12 H18 N4 O,Benzoylagmatine,234.1462,8.279023,0.805795404,1.059378782,0.372509139,0.897037319,0.673458509,1.166874842,0.571786123,-0.776742267,-1.032603924,-0.471503801,-0.895755439,-0.593065805,-0.973741531,-0.649729584
681,C30 H50 O6,Theasapogenol A,506.3578,16.61897,1.127068618,1.112611376,0.877721206,1.03254349,1.005738339,0.93718509,1.069286069,-1.40282234,-1.531184606,-1.249688408,-1.327762371,-1.496502079,-1.359274412,-1.430899293
682,C27 H45 N8 O3,C27 H45 N8 O3,529.3616,14.613024,1.40442652,1.546270463,1.030873718,1.445973507,1.261921644,1.345112161,1.335605008,-1.067234504,-1.290578279,-0.800789299,-1.032890865,-1.103306877,-1.049068031,-1.078947099
683,C25 H51 N8 O5,C25 H51 N8 O5,543.3979,10.17,0.099027887,0.067911905,0.093089423,0.145937699,0.03171566,0.030545073,0.086929999,-0.038531752,-0.00353294,-0.08028472,-0.021379508,-0.086193195,0.067332417,-0.106786281
684,C20 N2 O21,C20 N2 O21,603.8993,12.394027,1.343076462,1.199451901,1.518581629,1.204519477,1.35346193,1.101234586,1.468950163,0.847977873,0.841599726,0.85558689,0.848467079,0.825227754,0.814297617,0.869692775
685,C17 H31 N O4,C17 H31 N O4 Esi+8.280022,313.2298,8.280022,0.436767175,0.372817168,0.411888756,0.289164677,0.656680614,0.252018651,0.500584902,0.355662678,0.404393809,0.297527294,0.250346589,0.513562813,0.275661875,0.407242143
686,C16 H30 O5,"10-hydroxy-hexadecan-1,16-dioic acid Esi+10.017989",302.2094,10.017989,0.106050175,0.064787334,0.278336195,0.053622996,0.113519668,0.057602214,0.142743122,0.122722604,-0.037780518,0.314200013,0.117485804,0.145346,0.054565997,0.16666568
687,C9 H11 N O2,Benzocaine Esi+0.87899864,165.0789,0.87899864,0.104562175,0.079603573,0.081927506,0.37380303,0.282349355,0.296003639,0.091426228,-0.054824437,-0.141923874,0.049083664,-0.159959657,0.093638081,-0.181641175,0.026938987
688,C17 H35 N5 O4 S,Lys Met Lys,413.7535,6.28199,1.303355835,1.208049758,1.455450094,1.143686845,1.560754333,1.243191999,1.323630232,1.105386114,0.807743704,1.460468288,0.829716039,1.484155092,0.824639451,1.286393832
689,C37 H63 N5 O7,Microcolin C,689.4736,12.138983,0.50972512,0.367361142,0.694122503,0.467292189,0.49149233,0.550564543,0.516375633,0.329732871,0.282424218,0.386171264,0.333278419,0.302404126,0.394346298,0.288074213
690,C12 H16 N2 O4,3'-Hydroxyhexobarbital,252.1124,6.4980106,0.6591023,0.589588501,0.668121214,0.649504143,0.700449069,0.356935837,0.800845543,-0.589374231,-0.600300739,-0.576339097,-0.504535231,-0.728294964,-0.327079734,-0.758485156
691,C20 H52 N19 O4,C20 H52 N19 O4,622.4448,13.677001,0.038195803,0.046781735,0.281502979,0.021282821,0.055621282,0.13071668,0.08006133,0.044953475,0.034480298,0.057447791,0.090086779,-0.033266542,0.10775401,0.004463656
692,C21 H42 N O4,(?)-Myristoylcarnitine,371.3032,11.360021,0.799822832,0.931590869,0.424408383,0.845125712,0.608259649,0.805825761,0.699255952,-0.560046262,-0.74264186,-0.342212917,-0.561560493,-0.56017606,-0.604203178,-0.531576671
693,C25 H38 N14 P,C25 H38 N14 P,565.3144,12.105975,1.648299472,1.696651525,1.602353415,1.684696639,1.551328762,1.490225334,1.704114026,-1.925067822,-2.025815581,-1.804877513,-2.071100687,-1.740570164,-1.970282926,-1.895915979
694,C12 H26 O7,C12 H26 O7 Esi+4.2290034,282.1673,4.2290034,1.075078431,0.809724444,1.140051587,1.0188795,0.926351777,1.017119452,0.922341195,1.492390696,1.380478042,1.625900528,1.53228162,1.426226939,1.669480195,1.378214571
695,C29 H46 N2 O3,N-stearoyl tryptophan,469.3429,12.92999,0.432710427,0.539031174,0.147996976,0.575827641,0.206214465,0.391431991,0.317317348,-0.130102676,-0.173444671,-0.078396436,-0.122106064,-0.153101565,-0.085629822,-0.158775963
696,C27 H42 N O2,Benzethonium Esi+10.350007,394.2934,10.350007,0.185434406,0.157105717,0.16203216,0.236599677,0.098177762,0.059701504,0.196168177,-0.126089746,-0.085730637,-0.174237456,-0.115641627,-0.158484074,-0.05512277,-0.17184477
697,C37 H61 N O11,Mycinamicin IV,347.7144,5.9539876,1.116723035,0.954963323,1.288704787,1.04908788,1.308618818,1.192959134,1.032345601,0.824774214,0.614180797,1.076008465,0.62513152,1.104185992,0.70026099,0.905052476
698,C20 H32 O8,Cincassiol B Esi+10.729985,422.192,10.729985,0.671114323,0.749992343,0.484212537,0.768283403,0.495659284,0.534445097,0.583804095,-0.439244474,-0.513789973,-0.350313001,-0.471447134,-0.422933037,-0.36987609,-0.483968827
699,C13 H24 N2 O11,Macrozamin,384.137,4.6099887,0.438652499,0.351740411,0.394473224,0.505995653,0.350506058,0.626918591,0.210602065,0.361453852,0.380719027,0.338470836,0.370224029,0.355061919,0.422847094,0.321871367
700,C36 H59 N5 O8,C36 H59 N5 O8,689.4373,13.273985,0.241147667,0.324203843,0.006750516,0.017056622,0.35812061,0.209240801,0.136943679,-0.063857508,-0.223872688,0.127037796,0.102108567,-0.298713183,-0.075650667,-0.056254023
701,C45 H71 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",770.4877,14.111024,1.257546328,1.305825575,0.98009538,1.24498313,1.112268311,1.166429505,1.202698788,-1.125544961,-1.331044021,-0.880388187,-1.078750541,-1.199940094,-1.101374514,-1.141128538
702,C26 H42 N3 O8,C26 H42 N3 O8 Esi+12.0,524.2936,12,0.725109703,0.567609131,0.971939415,0.830520125,0.633625596,0.697747199,0.749316004,0.681158891,0.55893217,0.826973224,0.77194939,0.548913436,0.656229305,0.697231913
703,C12 H20 N4 O2,Hexazinone,252.1567,4.3770065,0.464448006,0.628980265,0.192180322,0.434299775,0.422203825,0.557244024,0.359753259,0.140449144,0.240448057,0.021152196,0.133666854,0.14103596,0.237206809,0.078065913
704,<none>,<none> Esi+12.263982,486.8259,12.263982,1.718734994,1.754499679,1.780576534,1.755207282,1.741478593,1.799718243,1.765096131,0.888887721,0.934960129,0.833924147,0.918942311,0.82661212,0.950534847,0.849141548
705,C13 H N O19 P S,C13 H N O19 P S,537.8601,12.641035,1.753691716,1.745699688,1.908547949,1.752358938,1.863422253,1.843915729,1.815194469,0.865756034,0.885404187,0.842316131,0.872678824,0.838012986,0.906192114,0.839685403
706,C17 H35 N5 O4 S,Lys Met Lys Esi+6.281005,422.267,6.281005,0.338641094,0.141824034,0.774276572,0.096313591,0.747439945,0.197300331,0.575519971,0.365655258,-0.009159497,0.812802684,0.099038464,0.732870715,-0.002605861,0.603086768
707,C23 H32 N4 O4,Nummularine F Esi+10.498024,428.2404,10.498024,0.031545219,0.183236696,0.146469408,0.10229483,0.041778247,0.104675263,0.114941273,0.025371026,-0.144362411,0.227860038,0.077045537,-0.068902824,0.15995329,-0.061399118
708,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+15.290027",574.4589,15.290027,1.69477681,1.859389675,1.375376326,1.728900803,1.543321646,1.741952044,1.609818814,-1.691713849,-2.04523123,-1.269973816,-1.72039678,-1.642314432,-1.77282308,-1.63941974
709,C44 H74 N3 O13,C44 H74 N3 O13,852.5206,14.32103,0.322079742,0.105561663,0.605262886,0.308500279,0.311947823,0.303014195,0.369300299,0.41675978,0.25030343,0.615339284,0.438037245,0.376026308,0.404388927,0.424735724
710,C51 H84 N3 O16,C51 H84 N3 O16,994.5837,14.395016,0.052003357,0.17198744,0.184333649,0.022192832,0.041799215,0.003591584,0.030452672,0.039901167,-0.093596913,0.199162034,0.10441862,-0.078678417,0.055493737,0.029848062
711,C33 H52 O7,Vitamin D3 glucosiduronate,560.371,12.529034,0.084065073,0.126258118,0.00032256,0.177603654,0.158115268,0.016233169,0.106665885,-0.001081158,0.028111329,-0.035907282,0.008137234,-0.048863965,0.087018328,-0.057882142
712,C16 H28 O6,Perilloside C,316.1886,10.33103,0.277363947,0.162400531,0.365199497,0.253670306,0.234320059,0.324021686,0.256516142,0.263355614,0.231665394,0.301161491,0.32566429,0.170061502,0.342733594,0.212177706
713,C23 H38 O8,C23 H38 O8 Esi+13.350026,442.2568,13.350026,1.335535928,1.017708142,1.648902398,1.237945047,1.418438912,1.189264042,1.417322101,1.291846241,1.049255352,1.581252916,1.205047392,1.423014091,1.115802376,1.405348206
714,C26 H47 N O10 P S,C26 H47 N O10 P S,596.2664,5.755993,1.158401942,1.065165371,1.112125315,0.982136485,1.268080159,1.271702199,1.003585188,1.016800115,1.032884269,0.997612002,0.877643772,1.201695922,1.114880296,0.953564209
715,C50 H95 O13 P,PI(22:1(11Z)/19:0) Esi+12.267024,956.6244,12.267024,0.903556832,0.830767714,1.039119482,0.902125301,0.829567164,0.995162071,0.87815205,0.602267079,0.611096108,0.591734202,0.655960977,0.493660536,0.727451557,0.521556033
716,C14 H20 O5,Kamahine C Esi+7.368015,268.1287,7.368015,0.393527173,0.523194302,0.117653609,0.49353851,0.211865894,0.497152874,0.232014126,-0.595830778,-0.928346961,-0.199144805,-0.719638214,-0.41488462,-0.657026611,-0.55637557
717,C16 H35 N O2,C16 Sphinganine,273.2668,9.456028,1.959915465,1.978502753,1.928076757,1.87641028,2.214312236,1.869145568,2.068200908,0.731489339,0.732180188,0.730665168,0.648531221,0.858013992,0.653642691,0.78167994
718,C18 H40 N2 O7 P,Methylcarbamyl PAF C-8,444.2794,6.3800044,0.703298981,0.418670337,0.93847023,0.397694658,0.998600307,0.370862832,0.830603668,0.667945066,0.346639738,1.051256687,0.398307999,1.040766811,0.330050308,0.885798266
719,C9 H16 N2 O2,C9 H16 N2 O2 Esi+0.8860013,184.1206,0.8860013,0.498110771,0.35887052,0.723326191,0.339783494,0.709162913,0.086576414,0.873118979,0.369498988,0.37247743,0.365945758,0.399491292,0.325660755,0.242591161,0.451321139
720,C18 H20 N O24 P S,C18 H20 N O24 P S,696.983,12.583986,0.201282819,0.131303895,0.405248145,0.076482002,0.340837164,0.08594618,0.335137839,0.131392088,0.09980381,0.169076351,0.089570451,0.170970431,0.094539852,0.155152083
721,C10 H20 O7,"2,3-Butanediol glucoside",252.12,0.88499814,0.383589474,0.726120385,0.115354563,0.439903937,0.279419141,0.337799953,0.383340454,-0.188506935,-0.373533196,0.032226149,-0.230202199,-0.130268854,-0.164652757,-0.203886602
722,C13 H4 N5 O17 P S,C13 H4 N5 O17 P S,564.9046,13.031005,0.390690992,0.516012112,0.088295833,0.563765303,0.122680921,0.410680459,0.249911781,-0.112904412,-0.154728098,-0.063009489,-0.116324217,-0.120200986,-0.091591781,-0.126645451
723,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+15.053969",734.4215,15.053969,0.333311384,0.142883733,0.559608022,0.343032586,0.283524535,0.446860895,0.278165632,0.352349305,0.228005591,0.500689174,0.399077381,0.291103212,0.474363611,0.273682187
724,C28 H40 O4,Bolegrevilol,457.3245,7.1359887,0.672375783,0.492291685,0.921309764,0.7625613,0.553404096,0.458991322,0.723477426,-0.341425047,-0.224685351,-0.480693456,-0.320735602,-0.39016691,-0.190917298,-0.438462937
725,C17 H14 N3 O24 P,C17 H14 N3 O24 P,674.97,12.642025,0.346122611,0.466151294,0.048671585,0.486703812,0.100758001,0.296417656,0.251072537,-0.090486739,-0.152465598,-0.016547047,-0.088297085,-0.10889416,-0.0513192,-0.115739494
726,C16 H26 N7,C16 H26 N7,316.2244,10.746999,0.157271292,0.080308172,0.221185742,0.180895307,0.050198083,0.24634245,0.13411476,0.221937391,0.170031819,0.283859827,0.317666257,0.073144025,0.327166008,0.154092625
727,C17 H11 N5 O22 P,C17 H11 N5 O22 P,667.9621,12.177001,0.144706338,0.230406338,0.091473903,0.253151361,0.057370099,0.054858376,0.085214514,-0.01939784,-0.061753806,0.031132084,-0.01972089,-0.039091122,0.034111973,-0.053897588
728,C25 H48 N6 O8,Deferoxamine Esi+12.580012,582.3387,12.580012,2.213948063,2.054025555,2.380662985,2.148970638,2.34790768,2.113218052,2.292559205,3.47833397,3.273111669,3.723160575,3.248897041,3.775797799,3.1687525,3.67793255
729,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",854.557,11.818031,1.042252839,0.97719969,1.135477951,1.046794864,0.941047521,1.159877387,0.986929166,0.612751931,0.628448485,0.594026217,0.654524666,0.52121995,0.744697441,0.527681799
730,C42 H67 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:2(9Z,12Z))",730.4508,13.541993,0.227215683,0.017239787,0.540874718,0.311938853,0.170339006,0.264486303,0.238391077,0.333854479,0.110737107,0.600029589,0.417651381,0.19439465,0.32415126,0.340110502
731,C31 H63 N8 O P,C31 H63 N8 O P,592.4701,16.056948,0.823213288,0.900141939,0.570888571,0.741465423,0.742937172,0.725700665,0.750383013,-0.745376706,-0.954851996,-0.495476361,-0.713539171,-0.798648644,-0.753388566,-0.740211165
732,C35 H64 O7 S,2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+10.770015,650.4208,10.770015,1.047551121,1.105601151,0.980758217,1.09510982,0.869024988,1.168632985,0.98403328,0.553385906,0.623282249,0.470000796,0.60713134,0.445409353,0.665849851,0.480876258
733,C11 H2 O16 P S2,C11 H2 O16 P S2,484.8499,12.263982,0.294249864,0.389916842,0.036249796,0.418730307,0.081162685,0.215185243,0.208348957,-0.077350024,-0.118955102,-0.027715897,-0.070356701,-0.103987766,-0.022663854,-0.112608213
734,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.134014,468.2338,10.134014,1.262316326,1.189213639,1.443101317,1.332603694,1.276170287,1.492985618,1.224338539,1.832264407,1.719704922,1.966545897,1.796622738,1.835701232,1.907323295,1.783871176
735,C18 H38 O6,C18 H38 O6,350.2649,10.417987,0.491510241,0.419321576,0.507318916,0.312495122,0.66357554,0.479225557,0.470280366,-0.463770562,-0.38444297,-0.558406988,-0.344002074,-0.65038538,-0.424124432,-0.489331883
736,C15 H11 N3 O20 P S,C15 H11 N3 O20 P S,615.9387,13.291993,0.500720261,0.634630708,0.16909943,0.663869833,0.230163241,0.50940518,0.356612527,-0.164626694,-0.222646426,-0.095410172,-0.162370149,-0.179202202,-0.133114377,-0.184943846
737,C30 H55 N O7 P,"PC(22:4(7Z,10Z,13Z,16Z)/0:0)",589.403,7.4300203,0.633197649,0.448155919,0.907375456,0.799029688,0.477167355,0.487018736,0.662740243,-0.302764289,-0.178266209,-0.451288315,-0.315322154,-0.307340519,-0.193961374,-0.372913538
738,C41 H72 N O8 P,"PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)",754.5228,13.221981,0.618863149,0.734056774,0.280824489,0.757599862,0.321440136,0.607162315,0.471378939,-0.233774734,-0.30617159,-0.147406555,-0.232003194,-0.247777616,-0.211066387,-0.248415642
739,C17 H30 N6 O4,Val His Lys,382.2324,10.746002,2.528661092,2.404623513,2.703585285,2.495172005,2.704484061,2.367820509,2.699477592,3.966185548,3.625224303,4.372946332,3.705675546,4.30571068,3.604364052,4.199465196
740,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z)) Esi+11.8500185 :1",519.3392,11.8500185,0.542015745,0.6844497,0.204960276,0.676654956,0.35446784,0.530296251,0.448936089,-0.29312413,-0.507304284,-0.037610964,-0.308038147,-0.289851519,-0.293302576,-0.293009079
741,C18 H38 O5,C18 H38 O5,334.2717,12.872011,0.744231974,1.096319782,0.28443596,1.006395609,0.489447805,1.006667321,0.569497411,-0.42737931,-0.677137317,-0.129422389,-0.488274909,-0.298327978,-0.560840601,-0.341331898
742,C13 N O22 P,C13 N O22 P,552.8651,11.974038,1.988055526,2.041109749,2.04946562,2.014904124,2.047216945,2.007478251,2.077332461,1.202145195,1.255970225,1.137932878,1.232726302,1.134214195,1.213898769,1.194567232
743,C18 H32 O3,12(13)-EpOME,296.2346,16.042973,1.318217385,1.424366811,1.051601676,1.310564397,1.207591435,1.331497777,1.173280621,-1.419434097,-1.649781149,-1.144634104,-1.400107662,-1.457711166,-1.494213557,-1.371221024
744,C11 H12 O4,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone",208.0714,5.144003,0.006341459,0.212366947,0.248728425,0.217263964,0.167346988,0.138741599,0.08624151,-0.027092181,-0.22980009,0.214734799,-0.13717898,0.100673062,-0.153733992,0.054558461
745,C18 H13 N5 O22 P,C18 H13 N5 O22 P,681.9769,13.05902,0.559537052,0.693125546,0.224096272,0.729521448,0.263588992,0.570815095,0.407594806,-0.194625833,-0.261423904,-0.114936907,-0.19610851,-0.204936439,-0.173122847,-0.2084896
746,C20 H15 N7 O18 P S,C20 H15 N7 O18 P S,703.9882,12.983963,0.487774956,0.618178094,0.153359905,0.648192757,0.193176279,0.485588767,0.34158777,-0.162497953,-0.228005475,-0.084348628,-0.164290957,-0.173590817,-0.138226199,-0.178146847
747,C15 H30 O,3-Ethyltridecan-2-one,243.2563,10.145015,0.517666774,0.84676673,0.143421389,0.698688302,0.202865519,0.820072871,0.175792133,-0.117982365,-0.240083101,0.027681672,-0.164042257,-0.041671662,-0.23047704,-0.045452902
748,C16 H9 N5 O21 P,C16 H9 N5 O21 P,637.9516,13.221981,0.618183954,0.742116477,0.29622622,0.789650708,0.327596612,0.639987316,0.46706734,-0.222051589,-0.284311488,-0.147776621,-0.223707343,-0.230100235,-0.200697923,-0.235819084
749,C19 H30 N6 O7,C19 H30 N6 O7 Esi+9.514004,454.2178,9.514004,1.190314684,1.115421223,1.273493561,1.145949525,1.211175097,1.274200629,1.153159067,1.614509823,1.580846303,1.654669812,1.66720031,1.510305199,1.740884095,1.533031674
750,C29 H59 N8 O7,C29 H59 N8 O7,631.4485,10.121995,0.120840284,0.142121687,0.099233715,0.383067997,0.141569367,0.201980992,0.019251974,-0.087535543,-0.072412734,-0.10557679,-0.165683744,-0.005981955,-0.100904556,-0.078916048
751,C26 H39 N O3,N-docosahexaenoyl GABA,413.2911,9.885988,0.60089333,0.704876916,0.462654318,0.941218862,0.186266732,1.1448121,0.239789738,-0.833523718,-1.074951164,-0.545505012,-1.228638173,-0.26583686,-1.4854943,-0.413174265
752,C22 H42 O6,Sorbitan palmitate,402.2979,14.573979,0.512833187,0.928238024,0.058116168,0.434862083,0.606247194,0.708471488,0.438145526,-0.274429134,-0.467895692,-0.043626925,-0.264880674,-0.287871343,-0.396756572,-0.195560128
753,C23 H48 O6,C23 H48 O6,420.3448,14.497018,0.5715107,0.782263858,0.070374092,0.572442103,0.419420443,0.687460873,0.365358297,-0.218671601,-0.385527445,-0.019615506,-0.225072578,-0.220054733,-0.302291264,-0.164758924
754,C40 H70 N O8 P,"PE(20:4(5Z,8Z,11Z,14Z)/15:1(9Z))",740.5071,12.441971,0.048521801,0.033482469,0.27755771,0.003454084,0.171249565,0.098233146,0.111089047,0.095090273,0.058277862,0.139006833,0.118208323,0.04316826,0.143432846,0.063922035
755,C25 H30 O7,Lonchocarpol B,442.1996,12.144027,0.816042773,0.651177025,1.115145334,1.043515981,0.589355544,0.90388727,0.837799992,0.64717383,0.521475564,0.797129655,0.772699752,0.482954812,0.648885998,0.646069932
756,C30 H52 O4,Panaxatriol,498.364,13.320012,0.380281127,0.486302875,0.10423495,0.505519618,0.174865041,0.339715024,0.276223952,-0.105314241,-0.146538008,-0.05613501,-0.090066877,-0.136274778,-0.051844001,-0.139788474
757,C30 H44 O5,21-Hydroxyisoglabrolide,501.3506,7.2540197,0.618996843,0.42936978,0.89359709,0.712915782,0.478557549,0.395429077,0.690681984,-0.304080327,-0.187240315,-0.443468413,-0.284606955,-0.352441135,-0.15268009,-0.401693638
758,C50 H89 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/22:1(11Z))",439.806,11.115984,0.223169309,0.174562844,0.32978309,0.167137335,0.267582807,0.363952257,0.187590987,0.144897522,0.145149246,0.144597221,0.166142652,0.087032238,0.247411824,0.078802775
759,C23 H3 N2 O18 P,C23 H3 N2 O18 P,625.9122,12.310038,1.496416915,1.510882593,1.528168665,1.517290808,1.476696348,1.550941401,1.527934691,0.796392064,0.829137965,0.757326779,0.825583942,0.735560834,0.853907541,0.759309717
760,C10 H11 F3 O2,Trifluoromethylphenylpropanediol,220.0711,4.739993,0.177360781,0.384450577,0.162878619,0.305560788,0.01749688,0.159525806,0.127472524,-0.209100334,-0.449982431,0.078267782,-0.27957066,-0.108823388,-0.249346995,-0.183151829
761,C29 H52 O9,C29 H52 O9,544.3607,13.144028,0.121671589,0.068582203,0.045579713,0.042844462,0.145845872,0.021775622,0.083933034,0.022197171,0.003728353,0.044230146,0.092397546,-0.08343243,0.06699873,-0.006688045
762,C31 H48 O4,"Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate",484.3523,14.839043,0.045007294,0.155515293,0.439757486,0.077425818,0.16062104,0.144363483,0.063357609,0.040645851,-0.10286627,0.211853293,-0.002558794,0.098616543,0.004830951,0.063737036
763,C38 H69 N O13,Clarithromycin,747.4792,13.628976,0.828391923,0.697009941,1.035429956,0.822383081,0.910838528,0.789148216,0.83795918,0.577760542,0.49905632,0.671653299,0.56079232,0.622738729,0.624683298,0.547507713
764,C42 H66 O13,Momordin Ia,778.4474,13.851016,0.494485022,0.279322392,0.810988725,0.507548652,0.482100593,0.415862136,0.48872333,0.394281233,0.268807017,0.543969771,0.418395434,0.354507655,0.337218904,0.431071419
765,C14 H26 O5,3-hydroxy-tetradecanedioic acid Esi+8.68002,274.178,8.68002,0.332545844,0.141761809,0.440600321,0.181219957,0.412164708,0.23727075,0.35358111,0.317482314,0.232564631,0.41878762,0.232284115,0.41413905,0.264702745,0.351511246
766,C30 H47 N5 O2,UNC0638,531.3611,6.849984,0.56784665,0.3764415,0.845978776,0.645942337,0.493307896,0.329579496,0.663812794,-0.277306281,-0.156860036,-0.420996539,-0.261177967,-0.319041335,-0.129488141,-0.372610083
767,C31 H45 N3 O4 S,Pateamine Esi+11.687009,554.3069,11.687009,2.461441696,2.344458199,2.720036159,2.485120332,2.642319542,2.402893618,2.606245026,4.76849847,4.275836265,5.356235838,4.458960748,5.170908507,4.380662319,5.018550725
768,C12 H17 N O7,3-Hydroxy-N-methylpyridinium glucuronide Esi+4.557006,286.0929,4.557006,0.600864472,0.690142094,0.421112268,0.845604954,0.392400427,0.613955403,0.527252261,0.493458572,0.678323954,0.272917414,0.674794206,0.241939271,0.523064996,0.474370219
769,C19 H30 N6 O6,Arg Tyr Thr,438.222,13.068025,1.388792428,1.220015418,1.676108768,1.291210871,1.647195843,1.481438743,1.4268095,1.654833047,1.334423077,2.03707652,1.501090398,1.932258728,1.456391725,1.782775478
770,C10 H20 N O4,Propionyl-L-carnitine,217.1311,0.87300086,0.151439155,0.102935905,0.216020053,0.258811112,0.069060289,0.659677554,0.146221916,-0.100923517,-0.109788685,-0.090347529,-0.118525482,-0.076242461,-0.312751447,0.035649753
771,C12 H27 O4 P,Tributyl phosphate,266.1645,12.481996,0.628028705,0.697700043,0.457447436,0.493672753,0.756740842,0.624833649,0.570206222,-0.205972152,-0.214480714,-0.195821586,-0.093419249,-0.347320785,-0.176233745,-0.225145598
772,C40 H73 O10 P,"PG(16:0/18:3(6Z,9Z,12Z))",743.482,15.25397,1.449121177,1.554224751,1.146547564,1.478372193,1.280842547,1.372700885,1.435891503,-1.407365495,-1.617563118,-1.156603418,-1.390370883,-1.410880734,-1.324250475,-1.46095281
773,C10 H9 N O,N-Hydroxy-1-aminonaphthalene,159.0681,2.049995,1.007318598,1.225621377,0.557480862,0.858678993,0.93651488,0.953747038,0.908492883,0.713222537,0.888912131,0.503627934,0.649479729,0.814229149,0.744320301,0.693172664
774,C9 H14 O4,C9 H14 O4,186.0893,5.144003,0.193161374,0.449420993,0.229812268,0.374178593,0.03874038,0.364175784,0.029094225,-0.173897528,-0.437432892,0.140495537,-0.297908423,-0.027412893,-0.373990184,-0.044890422
775,C14 H6 N5 O18 P S,C14 H6 N5 O18 P S,594.9152,11.863021,0.105950146,0.219012788,0.214945005,0.150434282,0.079477818,0.021739767,0.03642963,-0.0367375,-0.094951052,0.032710246,-0.029811411,-0.066800251,0.013550425,-0.069159978
776,C22 H38 O9,C22 H38 O9 Esi+10.166014,446.2494,10.166014,1.283936702,1.296618623,1.295722905,1.286777511,1.304939817,1.524814917,1.200477266,2.118011038,2.079235885,2.164269116,2.049493936,2.174407957,2.31075385,1.993742646
777,C33 H67 N O3,Cer(d18:0/15:0),525.5112,14.218995,2.154115627,2.342931881,2.03856158,2.213770969,2.29741167,2.247466871,2.235532745,3.966233812,4.119144608,3.783813914,3.826350655,4.144010713,3.760432431,4.098921544
778,C30 H44 O3,"3-Oxo-12,18-ursadien-28-oic acid",452.3339,11.134016,1.147882051,1.197289353,1.05009092,1.200515746,0.969883624,1.305453068,1.034554566,0.622434118,0.703581545,0.525626662,0.688454716,0.500089207,0.762809705,0.531928806
779,C12 H3 O19 P S,C12 H3 O19 P S,513.8708,12.731993,0.439611075,0.614361508,0.083842868,0.647034725,0.176190423,0.416690408,0.353538148,-0.148624203,-0.217165695,-0.066855405,-0.165502577,-0.140519396,-0.113374549,-0.171350953
780,C39 H70 N O7 P,"PE(P-16:0/18:4(6Z,9Z,12Z,15Z))",695.4915,13.821031,0.049430577,0.033223282,0.086336451,0.011360585,0.017261409,0.113250511,0.02625108,0.113539352,0.129914315,0.094004308,0.175129267,0.010222847,0.202372278,0.056265492
781,C36 H69 O10 P,PG(12:0/18:1(9Z)),692.4678,12.968014,1.089735856,1.131331371,1.12089183,1.124888104,1.01168115,1.258796105,1.060440406,0.648378715,0.693492661,0.59455857,0.693580466,0.562705545,0.774505159,0.56706035
782,C41 H64 O17,"Digitoxigenin 3-[glucosyl-(1-6)-glucosyl-(1-4)-2,6-dideoxyribohexoside]",850.3895,11.087979,0.03451098,0.045869046,0.224923917,0.360437706,0.179713602,0.226201048,0.001546697,0.100948346,0.132208696,0.063655297,0.245340159,-0.126235968,0.214368126,0.027822435
783,C28 H43 O3 P,C28 H43 O3 P,458.2946,16.601027,0.866751778,1.033713097,0.600035468,0.757808303,0.976528934,1.062293757,0.721166862,-0.16166384,-0.193447358,-0.12374666,-0.147547998,-0.180677816,-0.183021382,-0.147893845
784,C14 H18 N2 O2,C14 H18 N2 O2 Esi+4.25,246.1375,4.25,0.083884687,0.113021364,0.306946243,0.2706864,0.144709239,0.197723673,0.042295423,0.04521163,0.361228647,-0.331791127,-0.026048187,0.207193042,0.055271893,0.038725408
785,C36 H64 O10,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid,673.4784,13.885009,0.050533475,0.122358439,0.236373749,0.159586864,0.203864959,0.015989618,0.109915486,0.019934073,0.00161688,0.041786163,0.001496155,0.023670706,0.064960178,-0.009095915
786,C12 H27 N O,C12 H27 N O,201.2087,8.753016,0.149205105,0.418544273,0.236882805,0.069936536,0.195912436,0.098554261,0.203989501,-0.024203245,-0.18056961,0.162339084,0.002337076,-0.073769946,0.048884848,-0.071325832
787,C30 H61 N O8 P,PC(9:0/13:0)[U],594.4137,11.863021,0.041296475,0.143448683,0.273364265,0.073007079,0.154088758,0.077225744,0.07440942,-0.025434354,-0.075513675,0.034309398,-0.028751062,-0.039101639,0.021721045,-0.055837177
788,C24 N O16 P,C24 N O16 P,588.8936,12.94501,1.66221058,1.686409833,1.772972673,1.673632875,1.755320426,1.728086363,1.74667898,0.815295997,0.843565724,0.781570709,0.826265389,0.784281837,0.847708976,0.794398155
789,C23 H44 N O7 P,"PE(18:2(9Z,12Z)/0:0)",477.2853,12.010988,0.519259826,0.393290023,0.369785611,0.492516439,0.292050359,0.607347716,0.322458372,-0.248844618,-0.326814582,-0.155827819,-0.264953731,-0.209983266,-0.391054503,-0.157156666
790,C31 H54 O8,C31 H54 O8,554.3819,15.589045,0.159696159,0.242490569,0.016917353,0.115057149,0.144543359,0.022277475,0.188302695,-0.070489531,-0.153780187,0.028874762,-0.007760706,-0.155011263,0.076181477,-0.165053733
791,C32 H67 N O7 P,LysoPC(24:0) Esi+12.81299,630.4422,12.81299,0.0618373,0.261284831,0.229324301,0.153891565,0.05853142,0.051423749,0.019521166,0.075271057,-0.024570528,0.194380317,0.068478449,0.080900321,0.083787756,0.069780028
792,C25 H40 N2 O6 S,"14,15-LTD4 Esi+10.867995",496.2648,10.867995,1.591629713,1.471648982,1.814520699,1.546565115,1.680569772,1.607019417,1.663313295,2.048543259,1.899204293,2.226702025,2.067138645,1.994522489,2.03312735,2.058482463
793,C11 H22 N O4,O-butanoyl-carnitine Esi+3.4550035,231.1468,3.4550035,1.104926978,1.129269686,0.933571519,1.14197623,1.073026476,1.027515005,1.083119293,0.559300675,0.640811562,0.462059616,0.522771505,0.632079653,0.49660268,0.599724382
794,C18 H30 O8,6-Epi-7-isocucurbic acid glucoside,374.1942,9.188988,0.76149758,0.699750758,0.698097118,0.690447883,0.697770568,0.440789576,0.831886104,-0.732127836,-0.746786183,-0.714640684,-0.642640445,-0.873249094,-0.532477913,-0.860849497
795,C31 H63 N O3,Cer(d18:0/13:0) Esi+4.6320024,496.4716,4.6320024,0.982000893,1.048532516,0.893981155,1.112545788,0.9140851,1.055347429,1.005284485,0.532616542,0.670353654,0.368298584,0.558019088,0.503219795,0.56478667,0.511875276
796,C25 H34 F2 O5,Tafluprost,452.2377,4.546006,2.319515924,2.415607126,2.169462857,2.376746567,2.388537314,2.292468138,2.408618954,2.924403996,3.148936088,2.65654115,2.852694554,3.009034278,2.76780399,3.02536979
797,C12 H16 O5,"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate",240.0972,5.665003,1.192031459,1.112371192,1.267864366,1.135286,1.213253468,1.259851402,1.081427889,0.962620557,0.953436289,0.973577226,0.976486637,0.930281671,1.08892245,0.881189073
798,C40 H73 O8 P,"PA(17:0/20:3(8Z,11Z,14Z))",712.5046,14.665026,0.783331709,0.870303103,0.659990596,0.726208559,0.790417804,0.650958622,0.867588021,0.471208693,0.554785272,0.371503301,0.480256763,0.468560134,0.432883901,0.495918098
799,C14 H6 O23 P,C14 H6 O23 P,572.9023,11.950993,0.035019338,0.111850225,0.188543509,0.165475626,0.1978789,0.07041036,0.111621003,0.009847314,-0.018759888,0.043975205,-0.019104932,0.028752233,-0.014641247,0.025635992
800,C30 H50 O5,Cycloastragenol Esi+15.149965,490.3633,15.149965,1.51040782,1.731605519,1.205865995,1.654958131,1.392141851,1.63429169,1.422194483,-1.104717024,-1.337092107,-0.827497628,-1.028301074,-1.2317601,-1.098259768,-1.108880255
801,C44 H78 N O9 P,"PS(P-18:0/20:4(5Z,8Z,11Z,14Z))",794.5351,13.287035,0.952877347,0.935674728,1.054906264,0.961410032,0.890875161,1.095643779,0.938472888,0.578135001,0.596262387,0.556509348,0.619147531,0.496315617,0.697324742,0.501288984
802,C22 H38 O6,C22 H38 O6,398.267,13.985036,0.821466804,0.482532709,1.204444869,0.687100798,0.942029167,0.708627644,0.888694859,0.811138086,0.575312275,1.092474141,0.735980619,0.917818287,0.698179119,0.883966893
803,C16 H10 O24 P,C16 H10 O24 P,616.9282,11.791014,0.057620915,0.162971391,0.219064515,0.147497737,0.115670347,0.0405056,0.009691755,0.026852311,-0.027590766,0.091801947,0.020875368,0.014700384,0.077992345,-0.006119553
804,C20 H20 N8 O20 P S,C20 H20 N8 O20 P S,755.0253,13.225026,0.15594456,0.271078312,0.168361349,0.250116735,0.097185511,0.134895924,0.017521423,-0.003452514,-0.053240571,0.055943764,0.002446377,-0.025133032,0.021349432,-0.019443242
805,C23 H32 N4 O4,Nummularine F Esi+12.581035,428.2418,12.581035,1.714873125,1.439917223,1.914651592,1.64361304,1.742905705,1.630534337,1.702982562,1.686661559,1.441995416,1.978543974,1.620117398,1.786088614,1.51238595,1.799023464
806,C46 H93 N8 O14,C46 H93 N8 O14,981.6796,11.596991,0.302127924,0.21201848,0.481691872,0.26083078,0.340609263,0.430124289,0.281604337,0.203749919,0.185605489,0.225395906,0.235412084,0.129397131,0.313261903,0.133143508
807,C9 H12 O3,4-Ipomeanol,168.0784,4.836996,0.500356478,0.380147325,0.636362952,0.241644824,0.674813552,0.5020018,0.447115557,0.497117972,0.368897465,0.650082788,0.410881576,0.597777856,0.587657082,0.438744072
808,C51 H97 O12 P,PI(P-20:0/22:1(11Z)),949.6891,13.875981,0.019909575,0.089809114,0.241556586,0.026787585,0.112039202,0.22911129,0.037837859,0.042425781,-0.002833005,0.096418718,0.070263595,-0.014401361,0.167589964,-0.038272179
809,C16 H30 O8,"(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside",350.1906,5.9539876,1.433848536,1.377361799,1.516371112,1.450983113,1.560719811,1.582460851,1.3264755,1.234968467,1.062464643,1.440762502,1.051602143,1.489538853,1.15106196,1.289066083
810,C40 H77 O10 P,PG(16:0/18:1(9Z))[U],747.5155,12.846983,0.276237595,0.404487245,0.005803901,0.461288683,0.023388463,0.362677379,0.09861404,-0.057831623,-0.14226369,0.042894352,-0.06946451,-0.058085499,-0.060438187,-0.056151075
811,C15 H22 N2 O3,Phenylalanyl-Isoleucine,278.1633,5.2910066,0.012811952,0.267204703,0.368170562,0.138460214,0.139765504,0.003942249,0.060929724,-0.062624361,0.068677343,-0.21926499,-0.028885875,-0.105012054,-0.216727595,0.036731672
812,C33 H53 N O6,gamma-Chaconine,559.3923,7.8659906,0.735581158,0.711172077,0.844647269,0.873613801,0.541802419,0.907695016,0.627741574,-0.647753103,-0.566499631,-0.74468707,-0.776916632,-0.493709625,-0.711030007,-0.606956152
813,C42 H75 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/17:0)",738.5224,14.201997,1.332034442,1.581052522,0.693002213,1.233853598,1.263832212,1.489791549,1.179581978,-2.210769034,-2.966943606,-1.308666036,-2.081882675,-2.337464942,-2.634970442,-1.937270758
814,<none>,<none> Esi+12.355973,464.8129,12.355973,1.704884379,1.802503851,1.71323202,1.783324219,1.719657883,1.839575363,1.739216543,0.865958056,0.929947249,0.789620071,0.907982781,0.786924784,0.940141474,0.818129273
815,C12 H35 N9 O4 P,C12 H35 N9 O4 P,399.2451,6.178988,0.465307185,0.07933166,0.843502757,0.08031908,0.889714762,0.177140172,0.612605425,0.359885944,0.043434477,0.737406992,0.069605024,0.755572638,0.062225492,0.551798603
816,C12 H20 O6,Glycerol tripropanoate,260.1259,7.9219975,0.764847073,0.916964411,0.470131376,0.864012338,0.491951953,0.871099418,0.610444142,-1.085293069,-1.311464842,-0.815474112,-1.354926553,-0.705380837,-1.485310866,-0.827386858
817,C41 H66 O13,Soyasaponin IV,766.4477,13.75702,0.232730252,0.422526142,0.160222143,0.16508895,0.231783167,0.143300349,0.225199249,-0.118940219,-0.333198553,0.136666215,-0.052082113,-0.227918675,-0.114049562,-0.122093405
818,C18 H30 O8,6-Epi-7-isocucurbic acid glucoside Esi+8.897978,374.1941,8.897978,0.303839635,0.257722854,0.360057677,0.314002757,0.301912818,0.033184222,0.421794618,-0.274826217,-0.237866269,-0.318918788,-0.197407477,-0.413277314,0.017847981,-0.463524055
819,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+10.350999,482.2491,10.350999,1.475539246,1.333675686,1.657374667,1.392243719,1.552797716,1.464605708,1.508369561,2.075720365,1.965034873,2.207766215,2.074670363,2.04053346,2.095919724,2.062697094
820,C9 H8 O3,cis-p-Coumaric acid,164.0471,1.2400002,0.887934562,0.835819377,0.882392244,0.725413692,1.095536095,0.708499402,0.966381702,0.355144245,0.367952489,0.339864233,0.277397131,0.474219167,0.308282162,0.385357956
821,C12 H22 O5,Dibutyl malate Esi+7.552985,246.1472,7.552985,0.427287955,0.576191247,0.059474138,0.563095502,0.103980728,0.583351137,0.174975036,-0.66866772,-1.033914532,-0.232934682,-0.889759087,-0.353198743,-0.818628353,-0.571982575
822,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z)) Esi+12.070005",519.3329,12.070005,1.705497221,1.754883174,1.540490109,1.828047385,1.514128747,1.715485951,1.598594876,-2.018109112,-2.20185851,-1.798899303,-2.205303117,-1.759886219,-2.193461004,-1.905053286
823,C15 H33 N,n-Pentadecylamine,227.2606,11.082014,0.366909196,0.454485808,0.129441231,0.490411355,0.106407762,0.341439738,0.315026213,-0.093643573,-0.133200651,-0.046452672,-0.100157451,-0.08121828,-0.054694188,-0.118755676
824,C18 H49 N14 O6,C18 H49 N14 O6,557.3952,12.56102,0.473644424,0.352178562,0.59903664,0.361448263,0.504683836,0.394255703,0.536162419,0.297739243,0.261124109,0.341420456,0.274743022,0.312717769,0.280034035,0.309154443
825,<none>,<none> Esi+11.656987,477.8421,11.656987,0.298077234,0.375177032,0.073670692,0.402974589,0.102924243,0.196338986,0.240798421,-0.092356039,-0.127328101,-0.050634983,-0.084679848,-0.124133295,-0.026535471,-0.134792985
826,C21 H44 O4,C21 H44 O4,360.3235,15.551022,0.596235376,0.72419854,0.109177959,0.571138884,0.401701991,0.646235732,0.363241755,-0.290400386,-0.43806758,-0.114236015,-0.307892961,-0.281413681,-0.369510533,-0.239395161
827,C18 H16 N3 O24 P,C18 H16 N3 O24 P,688.9856,13.423026,0.570912452,0.708384283,0.230209099,0.73099471,0.292328501,0.575214947,0.425921306,-0.206699704,-0.274299517,-0.126054312,-0.204542363,-0.22140592,-0.177152615,-0.2257498
828,C8 H10 N4 O4,5-Acetylamino-6-formylamino-3-methyluracil,226.0724,3.7919953,0.424009719,0.525847889,0.289248516,0.319350905,0.484200356,0.511953521,0.356673133,0.178894228,0.220352381,0.129435379,0.129222509,0.2583664,0.227481381,0.147568301
829,C47 H89 O12 P,PI(P-20:0/18:1(9Z)) Esi+11.736015,898.5829,11.736015,0.947574236,0.872130906,1.056781453,0.93106414,0.852975892,1.005051972,0.924550352,0.562626969,0.571284042,0.552299232,0.60480208,0.469738858,0.668049492,0.494657184
830,C18 H2 N4 O20,C18 H2 N4 O20,593.9256,13.368968,0.451519231,0.58598737,0.143270609,0.622689337,0.200101151,0.453665368,0.323409294,-0.13794832,-0.19334553,-0.071860419,-0.135887132,-0.152856886,-0.100719982,-0.1619508
831,C17 H34 O,3-Ethylpentadecan-2-one,271.2875,11.3820095,0.33784218,0.620817844,0.188266724,0.390697861,0.175613474,0.577576798,0.077472338,-0.082852115,-0.18690848,0.041285304,-0.093800057,-0.05522478,-0.176108695,-0.022726161
832,C19 H42 N,Cetrimonium,283.3235,12.570009,0.280977353,0.569362915,0.264547414,0.081535528,0.391541257,0.42823721,0.093885359,-0.046853585,-0.168070646,0.097756241,0.062447904,-0.182062314,-0.118887688,-0.000410546
833,C11 H O19 P S,C11 H O19 P S,499.8551,11.56201,0.256296785,0.34198894,0.054188264,0.409734165,0.054129389,0.26567479,0.174482829,-0.083651034,-0.118787082,-0.041734345,-0.094737601,-0.090769145,-0.06730214,-0.094191768
834,C40 H48,Isorenieratene/ (Leprotene) Esi+12.104003,528.3739,12.104003,0.40110663,0.283697285,0.528010543,0.324226859,0.431671916,0.481981412,0.367747373,0.254404925,0.205973429,0.31218285,0.250875972,0.245357326,0.347250039,0.194544259
835,C26 H44 O8,Goshonoside F2 Esi+11.918966,484.3041,11.918966,1.174204976,1.050636491,1.345476326,1.221013417,1.106796689,1.248403846,1.160194237,1.410927584,1.280527334,1.566492793,1.47988074,1.293498655,1.470388516,1.37259093
836,C27 H36 F2 O6,Flumethasone pivalate,494.2487,10.772974,1.995173448,1.915157559,2.13049079,2.036264439,2.017993406,1.96869391,2.051880468,2.031696563,1.854530147,2.243052989,2.018395138,2.033384011,2.00669109,2.047818512
837,C36 H64 O6,C36 H64 O6,592.4694,15.292981,0.067802486,0.038252539,0.249506245,0.14079396,0.021582013,0.120869456,0.054920433,0.188527966,0.031148529,0.376278873,0.24116336,0.105421848,0.162313987,0.205429084
838,C23 H38 O7,Prostaglandin D2-1-glyceryl ester,426.2616,11.326991,0.849092494,0.778307848,0.770985997,0.781252939,0.773870047,0.586711226,0.866449286,-0.845778504,-0.893206078,-0.78919824,-0.752460466,-0.982228248,-0.685874694,-0.948874381
839,C15 H22 O5,Bisbynin,282.1442,8.009008,0.357889338,0.434566079,0.249839587,0.496666688,0.080194108,0.50795308,0.187835505,-0.682683806,-0.762376375,-0.58761197,-0.946346779,-0.324829867,-1.022389016,-0.463663342
840,C35 H71 N O3,Cer(d18:0/17:0),553.5432,14.482023,2.479395426,2.693054665,2.419949258,2.62860888,2.633337119,2.714838878,2.538765626,5.526737301,5.878904737,5.10660773,5.4325964,5.630242311,5.336194699,5.649587137
841,C14 H2 N O22 P,C14 H2 N O22 P,566.8808,13.037034,1.713082235,1.765091314,1.749424461,1.685989411,1.824458451,1.685364959,1.821679674,0.89303738,0.95648166,0.817349468,0.890315484,0.880742809,0.888463123,0.895986573
842,C5 H14 N O,Choline,103.0998,12.104984,1.156571146,1.038948751,1.249402195,1.145253005,1.035194068,0.987730127,1.171809424,-1.230830528,-1.210551438,-1.255023127,-1.405075286,-1.01110481,-1.299719007,-1.186415588
843,<none>,<none> Esi+11.559012,501.8312,11.559012,1.442318854,1.409132397,1.466384589,1.453023595,1.337182322,1.46380654,1.421497387,0.763042125,0.798493628,0.720749105,0.802936081,0.678467197,0.816103934,0.728831222
844,C34 H44 O9,Salannin,596.301,6.1569905,0.694782006,0.433007602,0.920491105,0.791695799,0.650789381,0.798220642,0.540025585,0.469086621,0.321933912,0.644637222,0.456182709,0.513459322,0.47913882,0.462605599
845,C19 H35 N O4,CAY10580 Esi+9.487034,341.2562,9.487034,0.507677207,0.482662883,0.489489939,0.506746218,0.487403297,0.705848072,0.421770884,0.384484933,0.404818334,0.360227541,0.368764449,0.39597505,0.475132718,0.326040965
846,C18 H32 O2,"9Z,12E-Octadecadienoic acid",280.2395,16.883041,0.830280014,0.873568011,0.670258083,0.789772255,0.713092662,0.818482451,0.739379531,-0.801302973,-0.984962499,-0.582200381,-0.851974649,-0.734084303,-0.85488022,-0.766759749
847,C14 H26 O5,3-hydroxy-tetradecanedioic acid Esi+8.769019,274.1777,8.769019,0.652612245,0.45197545,0.760777027,0.491731097,0.712319756,0.557459123,0.62577867,0.600186625,0.495169791,0.725469866,0.505748986,0.706796636,0.545949666,0.635155191
848,C22 H4 N2 O22,C22 H4 N2 O22,647.9254,12.248028,1.537084999,1.493031905,1.649524335,1.519913879,1.550442259,1.538523326,1.598799066,0.832782768,0.855408933,0.805790151,0.856078115,0.777785297,0.879224355,0.802840167
849,<none>,<none> Esi+11.729003,457.8051,11.729003,1.648790258,1.680367112,1.705434605,1.691072909,1.610378426,1.74533277,1.668691464,0.84925151,0.900124145,0.788561348,0.885111826,0.774261974,0.926685251,0.799327124
850,C18 H16 N8 O19 P S,C18 H16 N8 O19 P S,710.9986,13.355972,0.551518594,0.700220619,0.217405469,0.731983438,0.261733822,0.577534648,0.408126186,-0.189412507,-0.265679028,-0.098427885,-0.193375554,-0.196200595,-0.167405271,-0.203601383
851,<none>,<none> Esi+6.180014,402.7321,6.180014,1.405915701,1.403734085,1.46112768,1.366235976,1.574521648,1.436908416,1.379905047,1.157579667,0.916651592,1.445002633,0.93354723,1.466517013,0.917988673,1.312052808
852,C14 H2 O18 S2,C14 H2 O18 S2,521.8682,11.510988,0.170706326,0.258158916,0.058397692,0.278899935,0.009155463,0.0823301,0.12034608,-0.030802685,-0.069852836,0.01578346,-0.031743817,-0.051711838,0.024680343,-0.066574638
853,C10 H12 N4 O5,Arabinosylhypoxanthine Esi+0.880998,268.0808,0.880998,0.55360191,0.546856702,0.497740179,0.347711658,0.707546684,0.40206337,0.614198624,1.423022013,1.159926966,1.736889789,1.28409438,1.594029805,1.110502147,1.624515086
854,C13 H4 O22 P,C13 H4 O22 P,542.8917,13.115981,0.533348608,0.637712751,0.263543766,0.689552205,0.294439559,0.540109367,0.40904568,-0.17517474,-0.221671384,-0.11970506,-0.169376472,-0.194248573,-0.143998902,-0.195274952
855,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside,603.4184,7.9229817,0.662066726,0.745045263,0.672440092,0.817217128,0.45317354,0.969568197,0.485309974,-0.98614108,-0.931303904,-1.051560869,-1.294015383,-0.58535957,-1.294551716,-0.787297381
856,C21 H47 N25 O,C21 H47 N25 O,665.4393,11.633035,0.386743877,0.275755651,0.552048089,0.264177169,0.524823202,0.326825252,0.474996907,0.240369564,0.225506791,0.25810059,0.232526799,0.227691871,0.259976071,0.227728526
857,C18 H8 N4 O20 P,C18 H8 N4 O20 P,630.9435,12.811021,0.169513258,0.362319562,0.334133538,0.127417185,0.043765604,0.400874554,0.174081308,-0.054292197,-0.171562627,0.085609368,-0.040571131,-0.064186072,-0.205852807,0.043424512
858,C19 H O10 P S3,C19 H O10 P S3,515.847,12.729984,1.658975912,1.65778006,1.825050022,1.578607601,1.864978021,1.681176142,1.760965023,0.7798769,0.807332038,0.747123403,0.748065859,0.803277748,0.783078764,0.777812541
859,C22 H38 O9,C22 H38 O9 Esi+9.875,446.2508,9.875,1.358781704,1.23054113,1.517491195,1.193070628,1.480198058,1.320582624,1.372954545,1.632126738,1.531739278,1.751887218,1.575220576,1.692028076,1.623576639,1.637639303
860,<none>,<none> Esi+12.354984,462.837,12.354984,0.452685408,0.550391451,0.187393497,0.598495555,0.221448529,0.404542249,0.348947064,-0.140411203,-0.186030105,-0.085988652,-0.135803374,-0.162527303,-0.097392546,-0.168146915
861,C11 H22 N2 O,Cycluron,198.1728,8.609993,0.561997721,0.660111742,0.298809003,0.59778846,0.471981884,0.72480368,0.383226587,-0.462362437,-0.638376857,-0.252380322,-0.551760203,-0.366013678,-0.557069741,-0.401301149
862,C27 H40 N2 O4,N-docosahexaenoyl glutamine,473.3193,6.245981,0.557317999,0.397758012,0.813165009,0.580709992,0.551320356,0.33534229,0.678155736,-0.264745686,-0.160140138,-0.38953827,-0.231483827,-0.326343851,-0.128259788,-0.352743173
863,C29 H56 N8 P S,C29 H56 N8 P S,577.3853,12.459977,0.20353545,0.291415056,0.049270596,0.300419304,0.020766606,0.138212153,0.123857232,-0.034063645,-0.07571081,0.015620693,-0.021122326,-0.067531335,0.010839054,-0.063014069
864,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+5.86901",298.1392,5.86901,0.899896024,0.915868605,0.628826789,0.74715703,0.877343277,1.001807386,0.733836746,0.692939909,0.788394733,0.579063978,0.659032926,0.735607402,0.905070172,0.556171713
865,C23 H16 O3,Diphenadione,340.1112,4.301011,0.456020455,0.426918607,0.427985802,0.6120255,0.268991563,0.601931628,0.307445752,0.338910793,0.353460865,0.321552811,0.391403054,0.270821656,0.378214479,0.313570258
866,C24 H32 O10,1-alpha-Acevaltrate,480.1947,5.814986,0.926454265,0.978115376,0.632398069,0.795502647,0.940469972,0.693050917,0.950593759,-1.070754144,-1.231628377,-0.878834006,-0.925108347,-1.298546708,-0.967884488,-1.137078001
867,C22 H19 N2 O24 P,C22 H19 N2 O24 P,726.0007,12.918964,0.399011794,0.526586986,0.070354784,0.540152105,0.121298318,0.365338543,0.277509692,-0.115119135,-0.183921253,-0.033039415,-0.115283303,-0.129879206,-0.081916642,-0.136526006
868,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.6319895",414.225,9.6319895,0.135568161,0.186611227,0.071452123,0.043889865,0.399560429,0.342340425,0.413700999,-0.083119207,-0.107789924,-0.053687474,0.139578888,-0.416291949,0.289054262,-0.323073154
869,C11 H22 N O4,O-butanoyl-carnitine Esi+0.8780018,231.1465,0.8780018,0.120196934,0.175145724,0.054475087,0.43238729,0.395207539,0.725507999,0.298662901,0.007944188,0.036486311,-0.026106063,-0.057590081,0.100926701,-0.188923878,0.134872283
870,C22 H46 N O7 P,PE(17:0/0:0) Esi+6.46701,466.2932,6.46701,1.017685568,0.816039669,1.215387335,0.756688458,1.29993604,0.762710305,1.115264406,0.831019433,0.516102616,1.206709671,0.585456434,1.165542417,0.506174453,1.040458959
871,C35 H66 O13,methyl 13-sophorosyloxydocosanoate,694.4471,10.717023,1.057900311,1.078532887,1.029735119,1.062158858,0.919113721,1.161946678,0.999277979,0.545529807,0.604494863,0.475185529,0.589179566,0.451799035,0.661544327,0.470730971
872,C36 H60 N2 O3 S,C36 H60 N2 O3 S,600.4319,13.760988,0.27371022,0.367623556,0.011715002,0.364092912,0.077126667,0.185319994,0.18618072,-0.059705165,-0.102757629,-0.008344331,-0.039582154,-0.100674365,0.004056371,-0.100814576
873,C22 H42 O7,Palmitoyl glucuronide,418.2938,11.177984,0.160770403,0.131819154,0.124865589,0.051282757,0.220576569,0.040010768,0.225589097,0.059479991,0.097119529,0.014576683,0.014095802,0.083596291,0.003765154,0.0954014
874,C19 H28 N4 O3,LY255283 Esi+10.875,360.2149,10.875,2.174544079,2.007496972,2.46275866,2.073051434,2.401971334,2.064583707,2.308262229,2.8475473,2.488747057,3.275589694,2.657222426,3.120538323,2.622766288,2.9924719
875,C22 H32 O9,3'-Hydroxy-HT2 toxin,440.2024,9.0899935,1.394889862,1.339859726,1.415317137,1.348726933,1.43058879,1.498147861,1.355045609,2.037365556,1.956872756,2.133392053,1.976036814,2.0814683,2.106203834,1.992982981
876,C36 H71 N O8 P,PC(16:1(9Z)/12:0),675.4749,10.09099,0.397365263,0.536792416,0.12884953,0.460854198,0.23133355,0.517967411,0.288895261,0.16822744,0.304650588,0.005477019,0.189297284,0.128517848,0.2396198,0.122198156
877,C28 H50 O10,C28 H50 O10 Esi+12.031005 :1,546.3482,12.031005,1.245887238,0.865606727,1.957784617,0.987919722,1.765600667,1.02983244,1.496006063,1.66726854,1.140276675,2.295960589,1.302905634,2.143839948,1.36254473,1.863735207
878,C17 H36 N2 O,C17 H36 N2 O,284.2818,9.433997,0.421660828,0.49159005,0.17320658,0.424262581,0.212671106,0.667351172,0.165033901,-0.14316269,-0.205519015,-0.068772688,-0.17407303,-0.090657289,-0.294803357,-0.045394365
879,C5 H11 N O2,Isoamyl nitrite,117.0789,0.91299784,0.439178894,0.199060247,0.489295232,0.281816466,0.415358359,0.590306581,0.190908852,0.624696049,0.408245331,0.882917957,0.42128963,0.887134719,1.122408216,0.303802678
880,C31 H46 O3,"(17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3 / (17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol",483.3767,12.132014,0.163284086,0.117601506,0.233277668,0.184442309,0.088520642,0.318597545,0.098661857,0.130527602,0.137701079,0.12196977,0.174818105,0.046296269,0.2442496,0.05720684
881,C39 H71 N O8 P,"PC(13:0/18:4(6Z,9Z,12Z,15Z))",711.4866,12.030024,0.451109048,0.621120095,0.299654675,0.593631249,0.273033481,0.614560087,0.400783262,0.317839805,0.397336928,0.223001132,0.402528999,0.175629665,0.419626741,0.252214018
882,C10 H22 O4,C10 H22 O4 Esi+5.958007,206.151,5.958007,0.00727711,0.038663285,0.05746859,0.111015748,0.17178022,0.102160827,0.060135249,-0.00438516,-0.018753079,0.012755514,0.068273874,-0.100169275,-0.028938214,0.011445098
883,C6 H8 N2 O12 P,C6 H8 N2 O12 P,330.9816,4.629015,0.788701424,0.88610357,0.521508698,0.788280383,0.782544741,0.7621171,0.814482741,0.349101472,0.464443593,0.211500346,0.345076493,0.361441087,0.359626907,0.342315337
884,C16 H34 O4,C16 H34 O4,290.2453,12.851015,0.851619411,1.146101282,0.463922297,1.068074563,0.589722431,1.08693371,0.658543493,-0.471369691,-0.683825256,-0.217913929,-0.538030718,-0.33405017,-0.597668839,-0.389939977
885,C23 H36 N6 O5 S,Argatroban Esi+5.8409853,508.2485,5.8409853,0.486524958,0.280145282,0.587144929,0.716224397,0.229450317,0.668535305,0.217579518,0.36182268,0.315526878,0.41705276,0.45379625,0.255535078,0.423176819,0.322265407
886,<none>,<none> Esi+11.660973,479.8181,11.660973,1.590437424,1.628521957,1.626244488,1.61940029,1.562232081,1.662028873,1.61973696,0.830784104,0.881832579,0.769884169,0.855689987,0.76984986,0.89249985,0.790993689
887,C20 O19 P,C20 O19 P,574.8783,11.956034,1.599288276,1.670823399,1.419574358,1.413567843,1.687649044,1.319641827,1.764001872,1.054514608,1.140391504,0.952064978,1.033120199,1.061916931,0.996036681,1.092217482
888,C46 H81 O13 P,"GPIns(17:0/20:4(5Z,8Z,11Z,14Z))",435.7664,6.3790183,1.186360023,1.068819013,1.353655774,0.978666722,1.461485365,1.085854604,1.223814206,1.005756081,0.703588814,1.366236329,0.735026087,1.375133268,0.723026181,1.188042464
889,C19 H24 N2 O,Hydrocinchonine,296.1899,4.5700006,0.375695628,0.34194961,0.294608532,0.422884382,0.288131022,0.03235349,0.539610633,-0.246276294,-0.262877753,-0.226471044,-0.292636915,-0.220083341,-0.044859442,-0.376137159
890,C9 H8 I2 O4,"3-(3,5-Diiodo-4-hydroxyphenyl)lactate",455.8291,11.725018,0.372952955,0.462303365,0.107030183,0.508534471,0.142049283,0.299237666,0.280716298,-0.129648354,-0.175488188,-0.074962235,-0.128778208,-0.151742754,-0.074736879,-0.165051804
891,C22 H41 N O2,"Anandamide (20:2, n-6)",351.3134,14.117976,1.198605459,1.221977731,0.967363094,0.959653088,1.35304652,1.237751733,1.129798596,-0.878255938,-0.971131653,-0.76745684,-0.802896396,-0.992286703,-0.963141164,-0.823527306
892,C11 H18 O4,C11 H18 O4,214.118,4.7679963,0.133173759,0.052182621,0.162174962,0.310585462,0.111737692,0.280906119,0.036979211,-0.138452639,-0.145327872,-0.130250606,-0.313549719,0.092867414,-0.304146049,-0.031623993
893,C15 H32 N2 O8,C15 H32 N2 O8,368.2167,10.004989,2.421080006,2.275169579,2.508486604,2.362846101,2.518014901,2.173052604,2.549682588,3.630154048,3.296043251,4.028742368,3.465467936,3.875858185,3.276362456,3.858256522
894,C19 H48 Cl N16 O2,C19 H48 Cl N16 O2,567.3888,13.019028,1.362823251,1.231953958,1.286177433,1.263339473,1.287860931,1.173007826,1.356995765,0.943053261,1.006522818,0.867335192,0.931655226,0.945684543,0.915245633,0.960981863
895,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid",214.1201,6.39901,0.081447026,0.006314818,0.122236795,0.027340771,0.061501941,0.117890461,0.060082554,0.055732611,0.039671016,0.074893812,0.07748526,0.008822391,0.117770778,0.015734319
896,C18 H48 N9 O4 P,C18 H48 N9 O4 P,485.3539,9.568994,0.109654789,0.172576755,0.13836066,0.163141598,0.175162374,0.4159604,0.013556035,0.0614056,0.171108508,-0.069468043,0.047379512,0.067440308,0.333052446,-0.113735129
897,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid",342.2041,9.420009,0.114279327,0.17259781,0.013033172,0.103538455,0.143640555,0.133665041,0.227326015,-0.04276805,-0.075732201,-0.003442396,0.02054017,-0.147384005,0.124725817,-0.150757517
898,C17 H18 N O23 P S,C17 H18 N O23 P S,666.9725,13.513975,0.509249667,0.651065889,0.15336053,0.668918004,0.229708935,0.513790425,0.361023512,-0.180664523,-0.246014263,-0.102703431,-0.177312608,-0.197289318,-0.14955878,-0.200719542
899,C20 H34 O5,ent-5-F2c-IsoP,354.2406,13.335995,0.159216683,0.206748409,0.044222447,0.087157412,0.16661955,0.172830978,0.085609013,-0.099492924,-0.267408236,0.100827098,-0.112281815,-0.115085599,-0.155514962,-0.063373452
900,C23 H42 N O7 P,"PE(18:3(9Z,12Z,15Z)/0:0)",492.2903,6.71998,0.347415321,0.649858793,0.145167062,0.359591581,0.121303082,0.612655604,0.08175754,0.11216871,0.285189338,-0.094241863,0.164080053,0.018121555,0.289289122,-0.002027345
901,C26 H44 O9,Mupirocin,522.2802,11.281005,1.836865011,1.688779514,2.042655496,1.801123259,1.914565903,1.805388755,1.905756815,1.792978953,1.682103792,1.925251074,1.775334075,1.808593743,1.789139313,1.79545451
902,C24 H55 N4 O6 P,C24 H55 N4 O6 P,526.3835,14.733961,0.704394038,0.362875099,1.106760623,0.513577291,0.750442294,0.342897369,0.863721307,0.900517978,0.53922089,1.331539065,0.778157242,1.013886228,0.456860675,1.186560187
903,C41 H75 N O8 P,"PC(15:0/18:4(6Z,9Z,12Z,15Z))",739.518,13.624019,0.380455555,0.509572195,0.047691888,0.513546574,0.123555927,0.347087258,0.252157725,-0.12676142,-0.191388263,-0.049662729,-0.128013147,-0.140722198,-0.08839684,-0.151496478
904,C32 H63 O7 P,PA(P-16:0/13:0),589.4133,13.603023,0.651091241,0.706265934,0.302196059,0.470626944,0.60928652,0.551506995,0.48991913,-0.328375073,-0.447607456,-0.186132932,-0.271235713,-0.396966336,-0.37076943,-0.301041869
905,C30 H38 O4,Helilupolone,462.28,7.1390114,0.380182872,0.685358278,0.097388484,0.400622818,0.157881625,0.638659805,0.157350521,0.139537527,0.307102406,-0.060364433,0.192791038,0.042715491,0.308707452,0.030467445
906,C14 H30 O6,C14 H30 O6,294.2041,6.0400057,0.381160435,0.146063869,0.727413229,0.239015998,0.605775139,0.279392865,0.475879736,-0.222635119,-0.088947368,-0.382122262,-0.145783549,-0.346330349,-0.126384967,-0.284691138
907,C37 H62 O12,Cyclopassifloside X,715.4506,14.74803,0.667146732,0.8444398,0.312335244,0.67781842,0.524728481,0.537811263,0.632734975,-0.523033564,-0.771928191,-0.226106641,-0.519997519,-0.51739307,-0.471831882,-0.556045176
908,C16 H28 O5,Tetranor-PGF1alpha,300.1936,8.762968,0.680020019,0.507359614,0.896284073,0.571959423,0.771916327,0.650286689,0.715147339,0.517298013,0.403755278,0.652752505,0.457769396,0.593381362,0.513657833,0.519644971
909,C25 H53 N O7 P,PC(16:0/O-1:0),527.3841,13.665025,0.43005319,0.529404198,0.131324808,0.510672035,0.264751939,0.299345984,0.363795837,-0.135886,-0.178705481,-0.084803111,-0.100698843,-0.19729815,-0.050086565,-0.191204057
910,C26 H44 O8,Goshonoside F2 Esi+11.855975,484.3044,11.855975,1.101600218,0.910363093,1.32663001,1.034690585,1.153996715,0.993179901,1.189501619,1.54632234,1.311636568,1.826298348,1.508863741,1.574095554,1.427763642,1.6227615
911,C46 H89 N O11 S,C22 Sulfatide Esi+12.472976,431.8086,12.472976,0.039026069,0.033364487,0.284266875,0.006111507,0.15332919,0.218812959,0.044131212,0.078157652,0.033485541,0.131450697,0.108725079,0.01040804,0.195170511,0.002715152
912,C5 H9 N O,"2,5-Dihydro-2,4-dimethyloxazole Esi+0.90100086",99.0681,0.90100086,0.179262113,0.388651177,0.166621091,0.156102885,0.117574871,0.340858922,0.01844394,-0.495030607,-0.8171576,-0.110738755,-0.505048078,-0.460004602,-0.647311638,-0.396849415
913,C7 H5 N O2,2-Benzoxazolol,135.0317,1.6000037,1.191239241,1.036307416,1.14070902,0.97871848,1.189664613,1.020048433,1.104279351,0.838713679,0.872215361,0.798746761,0.754895991,0.96616554,0.785805345,0.872825631
914,C18 H32 N6 O4,Leu His Lys,396.249,11.256017,2.472301522,2.3745419,2.679932513,2.445812691,2.674627639,2.3634415,2.63046369,3.452403086,3.11558964,3.854215618,3.194030213,3.788233625,3.135481659,3.656734006
915,C21 H47 N O6 P,PC(O-12:0/O-1:0)[U],457.3375,13.666014,0.936363347,0.901139884,0.580482312,0.750255235,0.819767606,0.865473295,0.731359826,-0.342500318,-0.410723012,-0.26111184,-0.31355092,-0.364269479,-0.391680267,-0.310792192
916,C18 H34 O5,"9S,10S,11R-trihydroxy-12Z-octadecenoic acid",330.2408,11.4719925,1.14370493,1.1707662,0.952003187,1.125908787,1.029786497,0.955424268,1.094032194,-0.951813809,-1.021942512,-0.868151496,-0.888324996,-1.052198975,-0.799685437,-1.049896575
917,C15 H25 N5 O20 P4,N1-(5-Phospho-D-ribosyl)-ATP,718.9962,12.509018,0.230499374,0.261897644,0.04526288,0.239759425,0.10899882,0.065300666,0.212956517,-0.045472556,-0.080727468,-0.003414065,-0.020166569,-0.098770707,0.037400972,-0.098904172
918,C16 H26 N O2,C16 H26 N O2,264.1956,8,0.156210798,0.020200695,0.231114292,0.126853429,0.397632544,0.050898965,0.274614042,0.162815021,0.054009496,0.292618104,0.01979568,0.336646734,0.009543193,0.261635016
919,C17 H30 N6 O4,Val His Lys Esi+10.684005,382.2318,10.684005,1.760681189,1.440206226,1.994885481,1.567320815,1.851120092,1.437899136,1.869597812,2.455999017,2.040853194,2.9512607,2.177094289,2.849512942,2.172759345,2.638614068
920,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.202992,314.2089,9.202992,1.488288116,1.29522331,1.743321559,1.312991449,1.676337777,1.378260127,1.587607029,1.530628376,1.309217815,1.79476729,1.310955797,1.823469999,1.439056317,1.589668255
921,C32 H52 O5,22-Acetylpriverogenin B,515.3662,7.795018,0.749809344,0.676751902,0.886296135,0.897805735,0.556886725,0.762174858,0.7060377,-0.448686262,-0.369140985,-0.543582383,-0.482898742,-0.424520548,-0.37865015,-0.493841124
922,C11 H18 N4 O2,Pirimicarb Esi+0.88499814,238.1414,0.88499814,0.139313104,0.082916697,0.324294678,0.239878248,0.075016966,0.123092445,0.198360743,0.060915192,-0.021544643,0.159288328,0.077951985,0.022939608,0.056286336,0.063899586
923,C41 H79 N O14,C41 H79 N O14,809.5444,13.469975,0.114490481,0.295002715,0.073198188,0.185443754,0.067878234,0.299542955,0.001970491,0.018196479,-0.084921238,0.141214108,0.00260564,0.037632127,-0.08093403,0.082109571
924,C15 H27 N O4,C15 H27 N O4 Esi+6.682006,285.1934,6.682006,0.051218162,0.174618814,0.131450782,0.016376288,0.140752341,0.056145047,0.047033587,0.12869159,0.264685566,-0.033546838,0.193354722,0.034569552,0.191098932,0.088455277
925,C32 H58 O10,C32 H58 O10 Esi+13.500981,602.4028,13.500981,0.802792173,0.61412043,1.06841478,0.723508155,0.868615315,0.684801356,0.913871463,0.727710375,0.584611986,0.898424242,0.702506353,0.751779402,0.618632802,0.798036705
926,C16 H N2 O11 P S3,C16 H N2 O11 P S3,523.8442,11.511979,1.576631248,1.593360434,1.603375268,1.5900894,1.543205312,1.637488881,1.594009894,0.845292835,0.892096601,0.789456763,0.874257113,0.777650881,0.912291643,0.802096235
927,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside,284.1234,5.1120095,1.795745656,1.788830614,1.654225522,1.744221153,1.750909574,1.725751495,1.797054392,1.892602491,1.986174387,1.78097286,1.898186646,1.844076066,1.965606299,1.845534246
928,C31 H65 N8 O P,C31 H65 N8 O P,594.4835,16.367981,0.32822486,0.250702253,0.306433467,0.291832562,0.260745929,0.175405875,0.298619448,-0.342579674,-0.320185983,-0.369294954,-0.288543671,-0.423557444,-0.290107001,-0.376410739
929,<none>,<none> Esi+12.766036,770.0303,12.766036,0.300286933,0.151962265,0.564801579,0.210819783,0.438369535,0.22446889,0.444003742,0.173767807,0.125412549,0.231454782,0.169637173,0.158557918,0.15551504,0.185536039
930,C18 H20 N2 O3,Phe Phe Esi+5.574993,312.1483,5.574993,0.027915148,0.020838277,0.007714438,0.032627699,0.083920754,0.35631675,0.257251953,0.024888181,-0.072769783,0.14139242,-0.058599213,0.154736978,-0.305645481,0.237995411
931,C36 H62 O12,C36 H62 O12,686.4281,13.5,0.173345293,0.219362668,0.084902362,0.267307217,0.004807694,0.334041215,0.059285761,0.380101702,0.404750624,0.35069597,0.596172998,0.049171505,0.60234509,0.236813202
932,C18 H45 N21 O,C18 H45 N21 O,571.4107,13.470964,0.380495779,0.515920923,0.032339081,0.518929703,0.134117714,0.382328108,0.230177403,-0.114061785,-0.169251375,-0.048221573,-0.110493925,-0.130778511,-0.080876489,-0.135457568
933,C23 H44 N O4,trans-Hexadec-2-enoyl carnitine Esi+10.614012,420.3092,10.614012,2.477131793,2.394239394,2.355503444,2.431316685,2.446577361,2.383368766,2.428786642,2.810054013,2.811879225,2.807876566,2.71670082,2.946058039,2.73560715,2.858052648
934,C30 H36 O4,Sophoranone Esi+9.415016,460.2668,9.415016,0.499223285,0.520172981,0.376658935,0.532426475,0.364707511,0.832713729,0.281489835,0.615413949,0.648077402,0.576447024,0.747500471,0.412614971,0.980001644,0.38035083
935,C10 H28 N8 O3 P,C10 H28 N8 O3 P,339.1999,5.9549904,0.72758209,0.551886501,0.818026314,0.674065483,0.770395141,0.8368243,0.606241105,0.442476253,0.301467455,0.610697275,0.317995511,0.609342713,0.408812805,0.464180317
936,C28 H49 N O7 P,"1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-sn-glycero-3-phosphocholine",541.3149,12.072017,1.371876267,1.331137388,1.376968895,1.427658916,1.192771697,1.281667967,1.365346422,-1.896090164,-2.008277365,-1.762252801,-2.213311629,-1.473503429,-2.11092516,-1.757578127
937,C30 H50 O3 S,"26,27-diethyl-1?,25-dihydroxy-22-thia-20-epivitamin D3 / 26,27-diethyl-1?,25-dihydroxy-22-thia-20-epicholecalciferol",512.3351,12.78802,0.402464873,0.540602096,0.113758519,0.344278251,0.373313408,0.327667822,0.37398137,-0.283242302,-0.508798153,-0.01415813,-0.213502882,-0.387905819,-0.280640609,-0.28491971
938,C26 H6 N4 O17 P,C26 H6 N4 O17 P,676.9465,12.642025,1.607887301,1.601283629,1.682375288,1.626855381,1.621096145,1.652285407,1.659792655,0.86212421,0.876745088,0.844681759,0.883244916,0.814145264,0.902519667,0.836079771
939,C26 H37 N O6,Militarinone A,459.2626,11.023995,1.465771225,1.398114723,1.717514336,1.435940155,1.717722538,1.176580922,1.834262063,0.411402095,0.39409317,0.432051338,0.382944533,0.451426977,0.325663487,0.466680934
940,C20 H32 O8,Cincassiol B Esi+11.729003,422.1914,11.729003,1.288610835,0.979388478,1.704756852,1.147356103,1.475102027,1.214961158,1.375910765,1.380563855,1.099771614,1.715544072,1.278314706,1.516618498,1.235969658,1.473789061
941,C36 H56 O8,phorbol 13-acetate 12-myristate,633.4291,7.522981,0.605324152,0.457872566,0.832421131,0.73490395,0.444959804,0.405690874,0.655056139,-0.298557583,-0.194868826,-0.422256451,-0.301578048,-0.31500779,-0.164981091,-0.384679268
942,C20 H20 N3 O25 P,C20 H20 N3 O25 P,733.0116,13.289006,0.541281953,0.676737434,0.198712004,0.694830847,0.246617287,0.546412823,0.392797719,-0.191804121,-0.264557129,-0.105011059,-0.191883723,-0.204252969,-0.169839387,-0.205965595
943,C28 H42 O9,"14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid Esi+11.517999",522.2801,11.517999,1.560020941,1.326816083,1.811786249,1.397036714,1.685388075,1.467715317,1.599300691,1.791687439,1.543822412,2.087386067,1.710398986,1.891178804,1.74826816,1.819681448
944,C12 H18 N3 O5,C12 H18 N3 O5,284.1254,5.439987,0.874575098,0.914322531,0.948881383,0.940243429,1.015856236,1.389245509,0.642618959,0.449645036,0.390174887,0.520591881,0.41591223,0.502562266,0.603952232,0.350157502
945,C33 H67 N O9 P,Azelaoyl PAF Esi+12.717026,652.4558,12.717026,0.249478857,0.390425198,0.045179152,0.361291508,0.043523733,0.266811185,0.132318617,-0.089635003,-0.158983482,-0.006903484,-0.094293128,-0.098712064,-0.090870042,-0.088838728
946,C45 H77 O8 P,"PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",776.5363,13.134019,0.624369489,0.712826145,0.321370653,0.759455207,0.333980392,0.580687108,0.502438696,-0.232666031,-0.295829263,-0.157313404,-0.225251705,-0.258019753,-0.197818964,-0.255133219
947,C15 H14 N O23 P S,C15 H14 N O23 P S,638.9413,11.736015,0.172840816,0.263041886,0.077859116,0.293681633,0.046218747,0.091666638,0.106418713,-0.033547477,-0.076747977,0.017989961,-0.039466012,-0.047716209,0.020655689,-0.068494255
948,C23 H48 N O7 P,LysoPE(0:0/18:0) Esi+13.648987,481.3166,13.648987,0.77781842,0.918123237,0.546746881,0.795450689,0.588397109,0.785302697,0.673695095,-0.544179347,-0.695713933,-0.363401244,-0.642883928,-0.399410767,-0.733439938,-0.42215607
949,C39 H56 O4,Caffeoylcycloartenol,587.4054,11.366965,0.548847684,0.418157726,0.656612432,0.426034254,0.561467668,0.520061006,0.551439935,0.343312415,0.321569008,0.369251919,0.335937429,0.326802401,0.3854798,0.316125549
950,C30 H40 N2 O2,Eicosapentaenoyl Serotonin,459.3035,5.8160057,0.092483515,0.050779275,0.308642348,0.113790435,0.160480299,0.11179228,0.24347225,-0.078066487,0.020807603,-0.196021541,-0.043877308,-0.142492792,0.064338642,-0.16988032
951,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.2110195,511.3268,9.2110195,0.762847063,0.772901987,0.60472733,0.907409345,0.346618157,0.706091935,0.6810044,-0.577406642,-0.74664853,-0.375504039,-0.798565497,-0.274944813,-0.76911388,-0.453805922
952,C28 H52 O6,C28 H52 O6,484.3757,16.27594,1.412206819,1.450001752,1.130825304,1.432910946,1.209528141,1.193405214,1.372656492,-0.984477688,-1.157737278,-0.777782038,-0.938799608,-1.054762738,-0.880062581,-1.051797955
953,C23 H46,9-Tricosene,339.3853,13.639965,0.134764484,0.126099512,0.011176351,0.043521528,0.0840922,0.058759695,0.171571576,0.126799343,0.146867969,0.102857823,0.143422802,0.116848555,0.047272162,0.178073446
954,C21 H33 N3 O3,C21 H33 N3 O3,375.2577,10.613019,2.35054633,2.263181463,2.148369952,2.30189082,2.270203018,2.23274377,2.287952232,4.127422095,4.118961019,4.137516012,4.050688742,4.243690403,4.080781564,4.157492964
955,C15 H41 N9 O3 P,C15 H41 N9 O3 P,425.2978,11.177001,0.431393385,0.442353858,0.366493174,0.586950942,0.240587035,0.315414424,0.415395189,-0.155767734,-0.1456014,-0.167895993,-0.147586176,-0.190816117,-0.064487847,-0.214619241
956,C34 H49 N2 O P,C34 H49 N2 O P,531.3493,11.912027,1.243508674,1.256961193,1.347099541,1.328425464,1.147052831,1.443530515,1.212962014,0.648480025,0.682440543,0.607965723,0.692354142,0.5608072,0.764089147,0.573942565
957,C21 H39 O13 P,"PtdIns-(1,2-dihexanoyl)",530.213,10.193016,0.439709426,0.45993966,0.256703876,0.164773292,0.554321272,0.594371004,0.32358085,0.510906364,0.634818608,0.36308123,0.4195555,0.582509381,0.68945053,0.395792362
958,C38 H74 N O9 P,PS(P-20:0/12:0),718.496,12.504962,0.063306263,0.174286916,0.113661622,0.124857891,0.013572852,0.02277179,0.076505522,0.013059942,-0.046052149,0.083579628,0.015443479,-0.00843012,0.067486073,-0.02203059
959,C16 H12 N3 O23 P,C16 H12 N3 O23 P,644.9595,13.595964,0.472275635,0.603325873,0.127807492,0.631115409,0.198059336,0.45850887,0.332812343,-0.162655578,-0.223476089,-0.090097775,-0.15974602,-0.179567496,-0.126853308,-0.18573862
960,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose",360.1783,8.368016,0.817992858,0.658674421,0.940175743,0.67674377,0.868275251,0.413313057,0.965771728,-0.817391685,-0.702764076,-0.954140411,-0.706312665,-0.965349028,-0.545329136,-0.992800433
961,C17 H31 N O4,C17 H31 N O4 Esi+8.280022 :1,313.239,8.280022,0.443358867,0.386692413,0.418520537,0.304718683,0.656247772,0.26940517,0.504426956,0.353418425,0.400109534,0.297716752,0.254149865,0.50427758,0.270880789,0.406633481
962,C34 H56 N5 O10,C34 H56 N5 O10,694.3911,14.43996,0.216076418,0.41934827,0.040857434,0.096207265,0.470259324,0.070431398,0.321710294,-0.192281696,-0.323055592,-0.036270732,0.017735727,-0.453255955,-0.02987192,-0.296993262
963,C13 H7 N3 O19 P S,C13 H7 N3 O19 P S,571.9125,13.472971,0.403600311,0.528321124,0.077475735,0.559368893,0.149013021,0.384815247,0.273034704,-0.127230906,-0.176598595,-0.068336119,-0.124303967,-0.14234173,-0.08629387,-0.153624521
964,C44 H86 N O9 P,PS(P-20:0/18:0),803.5954,13.780025,0.18588459,0.252565379,0.080712011,0.242915484,0.011529553,0.004319467,0.142405827,-0.030669903,-0.073651681,0.020606604,-0.005264823,-0.084937106,0.077128067,-0.100171226
965,C22 H45 N O3,C22 H45 N O3,371.3403,13.068039,1.307153655,1.48320816,1.019368574,1.467053935,1.159898295,1.604372794,1.123487886,-0.557350241,-0.650164792,-0.44662411,-0.573512441,-0.525175484,-0.688479647,-0.472806282
966,<none>,<none> Esi+6.2989917,697.7781,6.2989917,2.02218727,1.924650698,1.959319488,1.920971167,2.08409999,1.889508587,2.043196656,2.490061771,2.642323029,2.308416761,2.338712855,2.69901227,2.482602287,2.494871175
967,<none>,<none> Esi+13.556958,762.0329,13.556958,0.163392995,0.294477707,0.178949066,0.273668832,0.078614311,0.132445065,0.040047159,-0.004280486,-0.062415829,0.06507396,-0.001993824,-0.021742986,0.022924713,-0.02182068
968,C8 H12 N6 O3,C8 H12 N6 O3,240.0973,5.812009,0.25169021,0.34841924,0.087404406,0.359354572,0.059967497,0.185465152,0.212003796,-0.238708001,-0.355314575,-0.099598404,-0.30590391,-0.152908391,-0.2187355,-0.251585008
969,C37 H67 N O13,Erythromycin,750.4891,16.043962,0.860864764,0.740258062,0.919467842,0.803815344,0.847948813,1.03586419,0.706350967,0.913018824,0.886899604,0.944178595,0.959446321,0.848424552,1.194710622,0.731401743
970,C36 H62 N3 O S2,C36 H62 N3 O S2,616.4318,11.785972,0.172702277,0.300541476,0.104425014,0.28342736,0.046823389,0.113734791,0.067239241,-0.037188035,-0.100417319,0.038243392,-0.037647179,-0.037681453,0.004452138,-0.064034988
971,C20 H42 O6,C20 H42 O6,378.2978,12.864012,0.969376071,1.285197977,0.526721187,1.239328254,0.774971381,1.224032291,0.83412938,-0.600324065,-0.859738912,-0.290846705,-0.637004926,-0.5063726,-0.708163129,-0.530796248
972,C12 H22 S2,Dicyclohexyl disulfide,230.1151,5.459998,0.544168467,0.384221899,0.792195499,0.510830998,0.432790278,0.517835588,0.571039227,0.384108494,0.250588182,0.543395884,0.445184845,0.283644753,0.392373716,0.378779601
973,C34 H67 N O8 P,PC(12:0/14:1(9Z)),647.4447,7.9749827,0.695656191,0.688490476,0.725763217,0.892742757,0.443005514,1.028836471,0.435383814,-0.9579103,-0.858485661,-1.076522151,-1.158739223,-0.673892326,-1.228080855,-0.78372139
974,C17 H32 N O2,Methyloctatropine,299.2704,6.6639776,1.043726992,1.290849668,0.564855332,1.006440422,1.143128311,1.198477425,0.910631331,-0.23347838,-0.28944348,-0.166712997,-0.194194759,-0.288261266,-0.256201819,-0.218827742
975,C25 H54 N O6 P,PE(O-20:0/0:0),517.3452,6.401985,0.241280788,0.067298422,0.537930491,0.291650218,0.267141949,0.00025514,0.413349637,-0.139778572,-0.030031476,-0.270704932,-0.116528017,-0.188694213,0.005304699,-0.233319102
976,C27 H46 O9,C27 H46 O9 Esi+12.188981,514.3185,12.188981,1.85216143,1.633060197,2.1611834,1.779126906,1.997713177,1.740782387,1.971576386,2.169247338,1.90490395,2.484604361,2.078631,2.278189075,2.035666624,2.255371745
977,C41 H76 N2 O15,Roxithromycin,836.5258,14.687011,0.718811509,0.785944705,0.509161216,0.750621759,0.57171431,0.61668858,0.658363636,-0.613099136,-0.785832268,-0.40703154,-0.575718222,-0.687646238,-0.585109405,-0.631145147
978,C27 H36 O8,Prednicarbate,488.2368,11.327972,0.72129696,0.692024598,0.642586233,0.637512135,0.669962747,0.539124918,0.709536838,-0.6970928,-0.770285511,-0.60977518,-0.627081167,-0.800816199,-0.626598309,-0.742543196
979,C21 H2 N2 O21,C21 H2 N2 O21,617.915,13.297044,1.496922064,1.525138402,1.628119761,1.505156782,1.596606503,1.574071818,1.589037863,0.723429029,0.747701496,0.694472402,0.731997197,0.698203174,0.752029911,0.704988987
980,<none>,<none> Esi+12.840024,493.8339,12.840024,1.861954889,2.02974235,1.736974034,1.914298689,1.877113332,2.005750247,1.852193647,1.099197801,1.198355967,0.980903848,1.137690014,1.033609824,1.159881832,1.06007257
981,C34 H70 S3,C34 H70 S3,574.4693,16.064957,1.21642031,1.283826242,0.993529151,1.202787943,1.087264817,1.123059661,1.158234729,-1.099345379,-1.304951108,-0.854061351,-1.074015579,-1.138557068,-1.09323385,-1.103285706
982,C9 H20 O5,C9 H20 O5,208.1307,3.9589963,0.649419232,0.678808626,0.585450203,0.626088284,0.540630032,0.632627708,0.628156839,0.230390846,0.286951759,0.16291467,0.276823461,0.157966621,0.339515758,0.160033995
983,C33 H48 N4 O6,L-Urobilinogen Esi+12.850024,596.3535,12.850024,2.625488179,2.507248978,2.710586211,2.665139153,2.621788335,2.517217721,2.667274982,3.84680695,3.672154671,4.055164054,3.805848694,3.888947487,3.686564788,3.950120976
984,C44 H86 N O10 P,PS(18:0/20:0) Esi+12.591005,819.5913,12.591005,0.085338106,0.020080225,0.292481043,0.051239672,0.175648386,0.249814298,0.099453449,0.100165917,0.071004672,0.134954771,0.126613404,0.040435541,0.197237053,0.03758058
985,<none>,<none> Esi+11.799007,435.792,11.799007,1.663066103,1.698205294,1.713461222,1.702535092,1.626209647,1.763148246,1.68048965,0.820003758,0.870974837,0.759196154,0.852401819,0.750772993,0.893070446,0.772894972
986,C22 H24 N3 O26 P,C22 H24 N3 O26 P,777.0375,13.13202,0.188491172,0.317796436,0.144588104,0.313189936,0.087715286,0.120859468,0.082389445,-0.023611231,-0.08657351,0.051501663,-0.029862493,-0.030288563,0.028325891,-0.057097008
987,C35 H71 N O3,Cer(d18:0/17:0) Esi+14.925029,553.5424,14.925029,2.552333375,2.642361,2.380161055,2.614487453,2.520671188,2.618265539,2.511980121,-4.459407528,-4.835929366,-4.010223581,-4.463508751,-4.420098253,-4.493794433,-4.437237023
988,C27 H46 O9,C27 H46 O9 Esi+12.032975,514.318,12.032975,0.728046856,0.674905518,0.783488888,0.560451322,0.79619383,0.732884884,0.734550153,0.564411709,0.597756545,0.524631904,0.532088935,0.562401301,0.656250093,0.505200119
989,C28 H44 F2 O3,"24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol",488.3062,6.5560207,0.896169688,0.660108635,1.096039022,0.554978178,1.212737692,0.610397236,0.971807377,0.760901669,0.454724218,1.126165995,0.516349023,1.096914315,0.470006934,0.948452221
990,C36 H65 O8 P,"PA(20:3(8Z,11Z,14Z)/13:0)",655.4357,12.718014,1.562344622,1.56845717,1.651369469,1.593720489,1.600081388,1.561374719,1.665558533,0.70390023,0.740904803,0.659754425,0.71628303,0.669240135,0.717570986,0.695086191
991,C45 H72 O12,Oligomycin B,804.4991,16.864992,0.673018839,0.59290545,0.681696826,0.636915449,0.648292953,0.822441178,0.54062888,0.784821627,0.777468401,0.793593896,0.837146731,0.71417355,1.031346496,0.625877961
992,C29 H57 N O10 P,PC(16:0/5:0(COOH)) Esi+13.19098,610.3676,13.19098,1.358573601,1.101023976,1.609852422,1.122278019,1.590270548,1.177293556,1.449992459,1.975987087,1.726621267,2.273476135,1.799708731,2.208543023,1.769451632,2.109148104
993,C6 H11 N O,2-Acetylpyrrolidine Esi+3.7529938,113.0839,3.7529938,0.591835215,0.558022766,0.593368908,0.350527174,0.890850327,0.410873044,0.702183329,0.73611432,0.769468473,0.696323401,0.547083008,0.981131215,0.553080137,0.854123202
994,C30 H44 O5,21-Hydroxyisoglabrolide Esi+7.2590075,506.3061,7.2590075,0.438837406,0.797609023,0.069328269,0.503202939,0.132935504,0.774917453,0.160199793,0.157291992,0.356323017,-0.08014853,0.235674682,0.024114914,0.367466779,0.021784563
995,C19 H38 N2 O3,C19 H38 N2 O3,342.2876,9.531987,0.834751782,0.880555081,0.605032031,0.791290648,0.694711302,0.794732761,0.786300628,-0.36985682,-0.388604886,-0.347490707,-0.353426912,-0.390895406,-0.381043678,-0.362644241
996,C23 H3 N4 O20,C23 H3 N4 O20,654.9333,12.719975,1.473206262,1.4081523,1.706241391,1.486638126,1.525954122,1.404522734,1.628128764,0.710682609,0.702918767,0.719944735,0.719026415,0.679595958,0.70116686,0.716817763
997,C31 H45 N3 O4 S,Pateamine Esi+11.525994,554.3075,11.525994,2.493896339,2.33101503,2.69702172,2.446804711,2.636456926,2.322504453,2.620771851,4.437719183,4.079667432,4.86486864,4.188928719,4.768847904,4.177241334,4.605658849
998,C41 H64 O12,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside Esi+15.237043,748.4374,15.237043,0.092520252,0.227988338,0.118962492,0.027762858,0.132998523,0.032364846,0.114292541,-0.005693854,-0.15098073,0.167630839,0.073684835,-0.109643671,0.088951957,-0.066715496
999,C36 H4 Cl2 N5 S2,C36 H4 Cl2 N5 S2,639.9283,13.227033,1.296429948,1.351013554,1.400507909,1.286298839,1.372178363,1.410454928,1.374672217,0.635218487,0.664895066,0.599814849,0.648333378,0.602375831,0.671864317,0.61159157
1000,C10 H16 N6 O2,C10 H16 N6 O2,252.1343,7.879019,1.768506936,1.581687336,1.929704221,1.658719343,1.844126042,1.451215966,1.944520843,1.908338777,1.738152932,2.111367505,1.757550265,2.09109132,1.66526178,2.065059473
1001,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+7.31701 :1,272.162,7.31701,0.040678137,0.050303186,0.302273075,0.245521668,0.06766241,0.012321651,0.14122359,-0.166066159,0.015220195,-0.382337598,-0.288402958,-0.016643551,-0.043934386,-0.244809012
1002,C16 H O20 P,C16 H O20 P,543.8813,11.459978,0.117352273,0.200741793,0.110661359,0.239438378,0.068952669,0.032188233,0.06536807,-0.004157341,-0.03834324,0.036625837,-0.006361093,-0.024609517,0.054410338,-0.041918081
1003,C21 H37 O6 P,"CPA(18:2(9Z,12Z)/0:0)",416.231,6.284014,1.686857634,1.720066756,1.736416248,1.683979992,1.847032231,1.806492786,1.640188159,1.533351946,1.293981597,1.818916571,1.281910103,1.874561542,1.302735824,1.682038656
1004,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]",576.4746,16.229002,2.114685126,2.229253186,1.909772736,2.169757419,2.031443123,2.163560321,2.047012664,-1.851541873,-2.094936986,-1.561175773,-1.837670487,-1.870459808,-1.85028953,-1.852349305
1005,C9 H20 O4,C9 H20 O4 Esi+4.7659936,192.1357,4.7659936,1.157125054,1.1022261,1.050309927,1.113611613,1.144024595,1.244457267,1.015381761,-0.749533947,-0.834499388,-0.648171666,-0.710540162,-0.814464689,-0.792755338,-0.721667523
1006,C15 H26 O5,C15 H26 O5 Esi+8.489012,286.1774,8.489012,1.919305495,1.784788584,2.008456328,1.868373899,1.970117046,1.771709484,1.986047157,2.002530146,1.862298386,2.169824177,1.895028408,2.14102925,1.930878681,2.048726486
1007,C15 H35 Cl N4 P,C15 H35 Cl N4 P,337.2251,8.090974,0.603483524,0.629931878,0.54330519,0.749140512,0.312274038,0.971513244,0.330776776,-0.831530849,-0.814302542,-0.852083916,-1.001669068,-0.575785463,-1.084415002,-0.668487119
1008,C7 H11 N O,2-Ethyl-5-imino-1-cyclopenten-1-ol,125.0836,3.5079966,0.739613454,0.605637539,0.716974581,0.60364264,0.805802629,0.524155119,0.743107667,0.450478025,0.517089151,0.371012121,0.43109013,0.488498126,0.452108874,0.449426557
1009,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.69101",298.1393,6.69101,2.413272857,2.239319097,2.544445822,2.345294341,2.488868322,2.35746035,2.438707933,3.218944462,3.038133716,3.434648509,3.137924311,3.301908064,3.21781695,3.21967141
1010,C32 H48 O6,"(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid Esi+7.340976",550.3321,7.340976,0.471338051,0.745508518,0.010589147,0.454210852,0.26571488,0.703550801,0.239692427,0.169510672,0.333616365,-0.026264541,0.213074296,0.085814842,0.334685609,0.063016304
1011,C19 H O23,C19 H O23,596.8918,11.867988,1.552506256,1.402871887,1.645513638,1.468292313,1.46904925,1.501790687,1.530842674,0.891586877,0.877229127,0.908715422,0.916944293,0.829230773,0.956634156,0.8496485
1012,C11 H18 N6 O2,C11 H18 N6 O2,266.1447,6.11202,0.93623452,0.913582904,0.959132922,1.03717033,0.882819567,0.987400459,0.880880001,0.652667628,0.718911011,0.573640434,0.7283814,0.592114654,0.778642985,0.571446674
1013,C37 H26 N5 O7 P,C37 H26 N5 O7 P Esi+9.970972,683.1567,9.970972,0.045147301,0.0406491,0.179121295,0.166198071,0.020683118,0.232374336,0.050584912,0.270439521,0.223153718,0.326850655,0.358480715,0.11365616,0.433150814,0.165533556
1014,C29 H53 N O7 P,"PC(21:4(6Z,9Z,12Z,15Z)/0:0)",575.3869,6.968011,0.561043013,0.382182294,0.823754197,0.665943694,0.469757357,0.371751827,0.640850349,-0.288864503,-0.166425041,-0.434932634,-0.283599598,-0.316108076,-0.155603272,-0.374782929
1015,<none>,<none> Esi+6.2790146,424.7451,6.2790146,0.803410396,0.516220562,1.085399369,0.507065236,1.085119465,0.419134899,0.970827084,0.718914994,0.379201437,1.124187306,0.481778779,1.041580328,0.358079392,0.951559
1016,C11 H14 O4,"3-(2,5-Dimethoxyphenyl)propanoic acid",210.0891,6.8599877,0.01864642,0.065163782,0.095148637,0.0385657,0.020710514,0.197338988,0.159302015,-0.023857089,-0.096969151,0.063364319,-0.0691734,0.015684332,-0.106108818,0.029173632
1017,C16 H30 N7 O2,C16 H30 N7 O2,352.2456,6.878017,0.441294371,0.222246336,0.73749309,0.437226882,0.44500737,0.231962734,0.510751188,-0.214369622,-0.084801687,-0.368941896,-0.168462189,-0.298441529,-0.081170781,-0.300247823
1018,C9 H12 O4,C9 H12 O4,184.0736,3.6710064,0.097123337,0.053050921,0.216083812,0.043483724,0.221873781,0.186662805,0.044489867,0.043673652,-0.153984484,0.279476341,-0.099097396,0.224105958,0.055720311,0.035906728
1019,C11 H19 N7,C11 H19 N7,249.1658,8.806023,0.456356162,0.344907774,0.382816487,0.308523142,0.557457259,0.087594152,0.607425628,-0.488783063,-0.459692693,-0.523487364,-0.338935353,-0.74630281,-0.11113465,-0.732266908
1020,C30 H48 N2 O4,Vicenistatin Esi+11.565988,499.3535,11.565988,0.363952044,0.430679367,0.251305961,0.58041581,0.182134355,0.599093619,0.261201314,-0.261552635,-0.338880261,-0.169302134,-0.298415323,-0.237914436,-0.350815265,-0.204001729
1021,C30 H44 O10,Vernadigin,564.2893,7.80799,0.402424784,0.464055435,0.325743895,0.354751494,0.416207452,0.296851991,0.425440186,-0.514590519,-0.649534323,-0.353604928,-0.448549462,-0.649580581,-0.432431911,-0.567561201
1022,C45 H67 O8 P,"PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",394.2167,6.178989,1.439929119,1.374413044,1.55112518,1.421442577,1.599985961,1.541228953,1.368057917,1.304229417,1.040721485,1.618589758,1.063396968,1.632310228,1.116701717,1.425135435
1023,C24 H51 N O7 P,PC(16:0/0:0)[rac] Esi+12.569012,495.3327,12.569012,1.575193094,1.516462291,1.445970022,1.51189375,1.39341458,1.466847845,1.498354624,-3.481650686,-3.643546551,-3.288511759,-3.496414022,-3.458774425,-3.657332803,-3.368381953
1024,C11 H13 N3 O3 S,Sulfamoxole Esi+4.2509904,284.0929,4.2509904,0.101065654,0.248093918,0.122088952,0.209031081,0.398519619,0.187981338,0.322399962,0.335743938,0.574413735,0.051015056,0.242879201,0.527658771,0.201135946,0.422530669
1025,C10 H20 N6 O4,Asparaginyl-Arginine Esi+9.316007,288.1574,9.316007,1.212367251,1.263370724,0.894884689,1.137311923,1.079528085,0.946525774,1.220301878,-1.076859962,-1.241288123,-0.880700051,-1.052389995,-1.087401918,-1.010026933,-1.119949678
1026,C19 H29 F O3,9a-Fluoro-B-hydroxyandrosterone Esi+5.692994,324.2144,5.692994,0.438099825,0.284014862,0.634370605,0.511180968,0.340302506,0.310571815,0.438022492,-0.208724314,-0.105892199,-0.331401222,-0.165966933,-0.259806458,-0.103133923,-0.276802328
1027,C38 H40 O21,Quercetin 3-(6'''-sinapylglucosyl)(1-2)-galactoside,849.2433,14.724049,1.092473793,0.953462394,1.049396586,1.108719971,0.899990862,0.958752699,0.990622604,0.910175942,0.802974195,1.038065745,0.943630225,0.852752868,0.827584167,0.963425902
1028,C25 H7 N2 O19 P,C25 H7 N2 O19 P,669.9386,12.176021,1.590854015,1.571342274,1.697372977,1.597990939,1.5606512,1.62448325,1.655894622,0.876467329,0.908872106,0.837808999,0.908320092,0.809929698,0.944188794,0.832804805
1029,C25 H40 N2 O7 S,Lipoxin D4,512.2597,10.077982,1.456157079,1.430481113,1.414182491,1.46876961,1.417728744,1.630805423,1.366158581,2.061813349,1.988643813,2.149103321,2.103618353,1.972483222,2.311463909,1.900854434
1030,C23 H6 N2 O22,C23 H6 N2 O22,661.9412,13.115981,1.157747862,1.212991216,1.272167123,1.173043261,1.215455934,1.249070167,1.237805576,0.564314169,0.587485111,0.536671641,0.588309519,0.515424055,0.592456036,0.546170071
1031,C37 H62 O12,Cyclopassifloside X Esi+13.517027,698.4224,13.517027,0.381262947,0.483513982,0.136568268,0.28604757,0.437107761,0.338323896,0.3507673,-0.29427221,-0.50265712,-0.045672668,-0.203271249,-0.435702948,-0.358504864,-0.252859051
1032,C30 H51 N5 O6,C-6 NBD-dihydro-Ceramide Esi+11.85897,577.378,11.85897,0.203100154,0.118464541,0.416396643,0.222815059,0.219607104,0.347142474,0.21013708,0.103338045,0.073809345,0.138565265,0.118892796,0.061688405,0.172989282,0.058431326
1033,C41 H66 O14,Dihydrodigoxin,782.4425,13.379961,1.749082287,1.552831121,1.876349287,1.652049826,1.800842074,1.62888651,1.809803976,2.133442559,1.93242754,2.373249951,2.04602166,2.235508631,1.997011691,2.221404566
1034,C29 H60 N O7 P,LysoPE(24:0/0:0),564.4036,13.030025,0.422921298,0.548164021,0.106574032,0.579019372,0.167764672,0.400758842,0.294891841,-0.123198549,-0.174695225,-0.061763918,-0.121048778,-0.138198098,-0.087522433,-0.146200256
1035,<none>,<none> Esi+6.380989,446.7584,6.380989,1.548794218,1.531181539,1.564074729,1.48358049,1.670601074,1.455304267,1.552158717,1.405717329,1.133603346,1.730344536,1.164589343,1.736386563,1.087437099,1.610924319
1036,C18 H37 N O,Stearamide,283.287,15.531985,1.817524466,1.800570753,1.534178313,1.707847232,1.73088469,1.673771165,1.757455805,-1.252641121,-1.389318012,-1.089587989,-1.220556454,-1.295880287,-1.203605246,-1.284256357
1037,C20 H40 N6 O6,C20 H40 N6 O6,460.3005,10.23501,0.036530354,0.120417605,0.021028263,0.030540066,0.130131868,0.255154047,0.043522149,0.003408302,0.075371779,-0.082442864,-0.017730738,-0.002095652,0.129006905,-0.077569745
1038,C42 H76 N O9 P,"PS(P-18:0/18:3(9Z,12Z,15Z))",769.5283,12.768007,0.191636403,0.309670605,0.010554817,0.335004413,0.03216328,0.323265055,0.039039028,-0.075530222,-0.137426819,-0.001688668,-0.12660849,-0.025292379,-0.1602403,-0.020914514
1039,C21 H48 N7 O5 P,C21 H48 N7 O5 P,509.3438,12.17503,1.712250359,1.729009589,1.730684479,1.604125479,1.816076761,1.787393153,1.708521483,1.061142366,1.113510369,0.998668257,1.042837446,1.062634431,1.145559539,1.006715504
1040,C9 H9 N O3,1-(4-Methoxyphenyl)-2-nitroethylene,179.0582,4.541993,0.489587212,0.450335913,0.504520483,0.477068191,0.373243934,0.390879397,0.510053662,-0.466628824,-0.322461432,-0.638617993,-0.406748249,-0.536237889,-0.290834612,-0.57996983
1041,C18 H28 N6 O5 S,Cys Arg Tyr,440.1811,13.862043,0.141762397,0.367566888,0.091863064,0.174403693,0.119245649,0.279791283,0.096124797,-0.071448318,-0.14921499,0.021325957,-0.086752579,-0.021480609,-0.10863932,-0.047469909
1042,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+12.900956,611.4111,12.900956,1.771173374,1.705818526,1.717002953,1.706378755,1.712132916,1.623687359,1.801448259,1.16281588,1.195321737,1.124036964,1.181881675,1.118575902,1.138993878,1.178174803
1043,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Esi+3.9279916",184.0737,3.9279916,0.37386086,0.649628107,0.070376715,0.553480178,0.272427091,0.173265104,0.516052252,-0.39265371,-0.6879989,-0.040312079,-0.450962932,-0.33481534,-0.172923583,-0.534321817
1044,C10 H18 N5 O19 P5,adenosine 5'-pentaphosphate,683.9541,13.066967,1.456933871,1.434389202,1.513467191,1.377540126,1.512211742,1.408284268,1.524291344,0.808964196,0.840073799,0.771850986,0.806791612,0.79597151,0.821212171,0.801067476
1045,C34 H58 O6,Campesteryl glucoside Esi+15.159966,562.4208,15.159966,0.467685294,0.244135031,0.71266237,0.561499926,0.526585689,0.407954336,0.456319215,-0.269385479,-0.099555135,-0.4719901,-0.212572314,-0.40253587,-0.22835853,-0.295837065
1046,C9 H12 O,2-(1-Pentenyl)furan,136.0886,4.21501,0.321183244,0.284011846,0.226859484,0.057386519,0.436771496,0.042132138,0.339917223,-0.50081384,-0.463678611,-0.545115517,-0.334812491,-0.731904807,-0.369631141,-0.585392159
1047,C31 H57 N11 P,C31 H57 N11 P,614.4517,15.2939625,0.370469604,0.244995907,0.453323795,0.49660809,0.142174839,0.409657922,0.31288141,0.456222096,0.321132419,0.61738171,0.595240764,0.250652675,0.47118256,0.446576533
1048,C22 H30 N4 O4,Trp Pro Leu,414.2243,10.129002,0.200279237,0.266091222,0.054519613,0.32235417,0.082727834,0.064667765,0.266023177,-0.184540322,-0.348892191,0.011528574,-0.20101212,-0.186591369,-0.085331651,-0.248503807
1049,C29 H61 N25 O2,C29 H61 N25 O2,791.5419,12.717026,0.407547549,0.494797441,0.13125678,0.556055107,0.093173206,0.359062232,0.283976597,-0.13816192,-0.199638073,-0.064821949,-0.152000558,-0.13864701,-0.094514818,-0.166302815
1050,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.423989,272.1617,6.423989,1.205805363,1.049308746,1.206759127,1.050450306,1.193327735,1.116697348,1.188888117,1.57919042,1.503483124,1.669507897,1.487017293,1.679594997,1.627515681,1.548033344
1051,C24 H41 N O10,Mycalamide A,520.3019,14.397965,0.669597887,0.508090736,0.77167853,0.572082273,0.650872954,0.679695074,0.630405235,0.560092544,0.502124192,0.62924777,0.560574929,0.554637007,0.622351281,0.519952042
1052,C28 H45 N3 O5,"4S,5S-antillatoxin A",503.3297,5.977011,0.016075701,0.166641182,0.244855956,0.012634004,0.057604348,0.257353075,0.186756798,-0.037911571,0.07276854,-0.169951002,-0.010379545,-0.093171315,0.127905176,-0.144819737
1053,C22 H46 N6 O2 P,C22 H46 N6 O2 P,457.3453,10.232008,0.837031703,0.885461513,0.761315676,0.83367854,0.747369395,0.880677882,0.820732671,0.421479142,0.501136605,0.326449188,0.447101014,0.360609464,0.496069725,0.373387846
1054,C43 H76 N O10 P,"PS(17:0/20:4(5Z,8Z,11Z,14Z))",796.515,11.250982,1.12803374,1.140481355,1.099069646,1.149153878,0.983163409,1.227176549,1.07065374,0.652439389,0.694033876,0.602817896,0.688599095,0.568270291,0.76648823,0.578907899
1055,C31 H2 N O6 P,C31 H2 N O6 P,514.9614,4.630992,0.868457948,0.912194459,0.640390338,0.898196089,0.803692334,0.816272256,0.903512388,0.442048681,0.595274411,0.259253075,0.457814244,0.426483373,0.447729299,0.438386178
1056,C20 H39 N O4,N-palmitoyl threonine,357.2873,10.532979,0.753997568,0.612515511,0.788519563,0.646123899,0.828840209,0.63615143,0.749069632,-0.538099632,-0.429155454,-0.668068125,-0.378382522,-0.777435784,-0.386519422,-0.635828977
1057,C42 H72 O13,Ginsenoside Rg3,806.479,14.204032,0.133315534,0.039206507,0.360671364,0.126808984,0.120736681,0.174247857,0.106675247,0.182363099,0.046772555,0.344120238,0.215296044,0.136458034,0.208988003,0.165197042
1058,C20 H3 O11 P S3,C20 H3 O11 P S3,545.8575,11.461003,1.575443406,1.584248804,1.631541129,1.569665187,1.53411579,1.61272932,1.610547122,0.827308572,0.872809293,0.77302701,0.849960894,0.769465108,0.890352715,0.786661691
1059,C32 H56 O5,C32 H56 O5 Esi+16.158983 :1,520.4129,16.158983,1.266124885,1.39867704,0.941465766,1.322829708,1.100558304,1.156613719,1.257734359,-0.998119108,-1.250145235,-0.697456359,-0.98756215,-1.026912669,-0.935196561,-1.038687592
1060,C36 H50 O7,"Glycosyl-4,4'-diaponeurosporenoate",594.3583,7.4389906,0.46577529,0.756504707,0.031144428,0.440775967,0.289857028,0.732169124,0.209780688,0.164036637,0.334410537,-0.039216436,0.195499265,0.095894587,0.3358873,0.053238184
1061,C15 H27 N5 O5,Pro Lys Asn,357.1993,4.6099887,0.422063346,0.570596232,0.282705824,0.296496742,0.544149058,0.401562684,0.448391143,-0.287309666,-0.312247762,-0.257558955,-0.248253623,-0.332094575,-0.29936611,-0.279536433
1062,C31 H46 O10,Oscillatoxin A,578.308,13.335997,1.397750403,1.186785028,1.721569291,1.360254569,1.514962751,1.417134549,1.414717531,1.920225379,1.623896815,2.273740156,1.930642197,1.940651108,1.860989649,1.958416836
1063,C32 H54 O5,Ganoderiol C Esi+16.194033,518.3951,16.194033,0.394829911,0.490022612,0.272448429,0.30128101,0.434894627,0.269696262,0.433256894,-0.042349553,-0.128812967,0.060799782,0.034287732,-0.168009881,0.0065052,-0.073848013
1064,C16 H2 O18 P S,C16 H2 O18 P S,544.8677,13.114991,1.560361652,1.599533279,1.665201726,1.564561056,1.626335095,1.558131763,1.675816887,0.719776334,0.745724469,0.688820664,0.734854665,0.684077683,0.71377156,0.723647833
1065,C13 H25 N O2,C13 H25 N O2,227.1882,9.2439995,0.093472929,0.065723645,0.252420678,0.176851329,0.146003265,0.221745585,0.297858029,0.057311123,0.080288126,0.02989996,0.019124751,0.148094866,-0.253471338,0.257684025
1066,C32 H56 O5,C32 H56 O5 Esi+16.082027,520.414,16.082027,0.912337017,1.070912507,0.480992808,0.930622728,0.73107531,0.793907507,0.88115216,-0.602882154,-0.872880048,-0.280779404,-0.618335034,-0.597356597,-0.602123708,-0.603371153
1067,C5 H14 N O,Choline Esi+11.405023,103.0997,11.405023,0.896373912,0.828494277,0.768604865,0.826475911,0.734458927,0.829183483,0.784501419,-1.136708478,-1.169591113,-1.09748007,-1.152423356,-1.117250162,-1.244959385,-1.066915129
1068,C12 H8 O3,5-Methylangelicin,222.0294,3.6500077,0.39921551,0.20274304,0.554948386,0.236425254,0.338668216,0.414297662,0.317465018,0.316196772,0.156354285,0.506886055,0.311588106,0.323204681,0.346238899,0.296827506
1069,C14 H25 N5 O6 S,Met Gln Asn,408.1769,4.793008,1.341172446,1.237360306,1.271789594,1.49701395,1.233156817,1.679736839,1.062079316,0.869418877,0.900330059,0.83254238,0.92338082,0.797803761,1.080443495,0.733363532
1070,C18 H20 N2 O3,C18 H20 N2 O3,312.1549,5.5729985,0.289226113,0.285343864,0.218382463,0.456248894,0.089413346,0.22380462,0.267491271,0.503543926,0.371084897,0.661565223,0.66475049,0.284289529,0.399462354,0.57064915
1071,C44 H59 N O5,7-Epizucchini factor A,698.4717,13.75197,0.072264647,0.155083814,0.101643265,0.197830779,0.048151006,0.13692523,0.008269281,0.138921421,0.134743313,0.14390583,0.129187989,0.130980353,0.120196102,0.150994324
1072,C8 H14 O5 S,2-(3'-Methylthio)propylmalic acid Esi+15.493958,222.0561,15.493958,1.824119743,1.747290295,2.007543598,1.881898499,1.802520647,1.856869944,1.836994924,1.224982246,1.100863863,1.373053301,1.274610835,1.17380428,1.114669858,1.296104707
1073,C21 H22 N3 O26 P,C21 H22 N3 O26 P,763.0224,12.375,0.249570563,0.166004285,0.436839,0.231868018,0.28604138,0.300755155,0.28793691,0.17564914,0.149661663,0.206651744,0.207047361,0.109084145,0.22244064,0.145480936
1074,<none>,<none> Esi+12.456036,442.8,12.456036,1.727748502,1.79176275,1.702134136,1.762002787,1.708248672,1.819952797,1.726536638,0.9153848,0.978227971,0.840414,0.957204585,0.838114368,0.990546213,0.866925468
1075,C8 H21 N12 O2,C8 H21 N12 O2,317.188,5.831999,1.04675973,0.817301791,1.243904046,1.011700491,1.122928958,1.088311401,0.938990089,0.625312769,0.458311164,0.824542753,0.49402712,0.808198345,0.546210184,0.676313119
1076,C18 H39 N O2,Enigmol,301.2978,10.711989,1.21211488,1.018084277,1.889057103,1.804381803,0.925738357,1.784120396,1.054935202,0.405291675,0.379421388,0.436154475,0.430486615,0.377371116,0.430292587,0.389172667
1077,C23 H38 O8,C23 H38 O8 Esi+13.142028 :1,442.2567,13.142028,0.875325058,0.584173822,1.073888862,0.673513462,1.01619021,0.665744513,0.945363694,0.882396246,0.648846178,1.16101738,0.705592497,1.142325841,0.627579899,1.046685733
1078,C49 H93 O13 P,PI(18:1(9Z)/22:0),942.6093,11.625982,1.043787584,0.901511129,1.166262118,1.010500558,0.948834537,1.108178291,0.957136048,0.596330557,0.585101577,0.609726532,0.621385434,0.528550797,0.706211321,0.52548638
1079,C25 H50 Cl N7 O S,C25 H50 Cl N7 O S,531.3534,12.144026,1.439343484,1.46992845,1.326070248,1.392998996,1.266067534,1.682989961,1.187019782,1.247746987,1.363201621,1.110011634,1.345143252,1.070802816,1.568165385,1.041161441
1080,C18 H17 N3 O22 P S,C18 H17 N3 O22 P S,689.9753,12.134018,0.420606944,0.309915929,0.572385703,0.403258532,0.356259168,0.474831563,0.412797866,0.288561202,0.260794878,0.32168594,0.313449241,0.230661487,0.352875909,0.247095141
1081,C29 H48 O6,Homodolicholide,492.345,11.008034,0.296644372,0.32245592,0.187163643,0.456565436,0.093108382,0.285734541,0.205279223,-0.128734976,-0.127513745,-0.130191883,-0.139885716,-0.140838828,-0.095704939,-0.150030658
1082,C35 H52 N5 O P,C35 H52 N5 O P,589.3956,12.947018,1.68138947,1.704457887,1.597625216,1.667649405,1.693885835,1.681623146,1.677236037,1.242920361,1.327226895,1.142344145,1.285720193,1.174185505,1.302878538,1.204263116
1083,C22 H38 O9,C22 H38 O9 Esi+10.006005,446.2522,10.006005,1.291952293,1.102241323,1.590491539,1.32066807,1.305025771,1.34604403,1.285938484,1.451649592,1.27756019,1.659335195,1.464823192,1.434897366,1.467017459,1.441741362
1084,C30 H57 O8 P,PA(15:1(9Z)/12:0) Esi+15.099055,576.3835,15.099055,0.374682315,0.339745283,0.246095822,0.413029321,0.143326461,0.345772357,0.206894806,-0.117689433,-0.194195645,-0.026418865,-0.108893059,-0.139911201,-0.143008128,-0.101365538
1085,C45 H88 N13 O2 P S,C45 H88 N13 O2 P S,905.6635,13.992977,0.066464128,0.14840203,0.205876891,0.099341859,0.076759427,0.149957048,0.05488335,0.021703138,-0.031792874,0.085522943,0.047181342,-0.032058015,0.136672908,-0.052422108
1086,C11 H18 O5,C11 H18 O5,230.1151,5.3249974,0.03368127,0.14041162,0.216453182,0.08079511,0.060291909,0.132778386,0.111409563,-0.029554508,-0.164696189,0.131667147,-0.021273616,-0.040646961,-0.111136879,0.023044653
1087,C20 H32 O8,Cincassiol B Esi+11.728022,400.2097,11.728022,1.289744823,0.931640082,1.766585965,1.112518439,1.530172355,1.250630232,1.337073305,1.495536776,1.171260489,1.882392698,1.336076314,1.714626859,1.402959742,1.555224601
1088,C19 H37 N5 O6,Istamycin C1,431.2724,4.869996,0.350726078,0.135221727,0.599990527,0.395720997,0.439457906,0.286399491,0.418227032,0.226761461,0.131664999,0.340209872,0.212714922,0.287306609,0.133752025,0.286728071
1089,C32 H54 O5,Ganoderiol C Esi+15.084974,518.3961,15.084974,1.758771124,1.942290336,1.526171802,1.876457097,1.659414391,1.826975775,1.724161837,-1.152107396,-1.392680631,-0.865107747,-1.163180304,-1.155327543,-1.138719633,-1.16073898
1090,C17 H2 N2 O12 P S2,C17 H2 N2 O12 P S2,520.8786,13.227033,0.52595657,0.635221053,0.233934018,0.687926033,0.271544147,0.511805609,0.398283997,-0.172284102,-0.214336054,-0.122116861,-0.168453224,-0.187938933,-0.130924301,-0.198950289
1091,C42 H79 O12 P,PI(P-18:0/15:1(9Z)),805.5189,13.802982,0.197769397,0.150540473,0.77603644,0.110536518,0.350527302,0.012328792,0.389724401,0.296085981,-0.024333338,0.678340608,0.225310681,0.380069796,0.081560606,0.434398394
1092,C26 H36 O10,Gibberellin A37 glucosyl ester,525.2571,10.193997,0.295974409,0.239435702,0.207715587,0.059448268,0.577293661,0.349076462,0.247399095,0.363878015,0.414515826,0.303467994,0.155687056,0.59891061,0.44035717,0.314569086
1093,C25 H50 N O4,(R)-Stearoylcarnitine,427.3642,12.631028,0.4195485,0.642660019,0.003161754,0.43925107,0.320424888,0.373667662,0.380839257,-0.238674898,-0.43480643,-0.004693421,-0.220907609,-0.279982833,-0.223993389,-0.248140608
1094,<none>,<none> Esi+13.488023,784.0457,13.488023,0.08227765,0.2308359,0.305194971,0.16101507,0.159475474,0.056370345,0.052617963,0.019054902,-0.041494076,0.09128877,0.024057986,-0.002594967,0.045143053,0.002234909
1095,C24 H42 O9,C24 H42 O9 Esi+11.200998,474.2815,11.200998,1.204004945,1.17555743,1.314337868,1.21547096,1.268149797,1.244100746,1.24008328,1.567784729,1.479339706,1.67329809,1.64861016,1.414626715,1.66849312,1.502854319
1096,C13 O17 S2,C13 O17 S2,491.8585,12.834976,0.122364038,0.208593922,0.151787734,0.243043455,0.10169169,0.12208642,0.01401471,-0.034585826,-0.062846608,-0.000871209,-0.0399232,-0.040454985,-0.018295997,-0.045088479
1097,C15 H24 N6 O5,His Asn Val,368.1809,9.036009,0.825526157,0.786313386,0.862385646,0.853533965,0.811020293,0.90485205,0.780721832,0.681592235,0.66398084,0.702602319,0.70072784,0.642742074,0.738991908,0.64458455
1098,C13 H22 O2,"(Z)-3,7-Dimethyl-2,7-octadienyl propionate",210.1614,9.175023,0.486321762,0.687152658,0.397308948,0.57322285,0.466059344,0.871406482,0.351901248,-0.409720682,-0.479112287,-0.326937715,-0.517037972,-0.261904334,-0.591898296,-0.292264062
1099,C19 H34 O7,Tsangane L 3-glucoside Esi+9.754009,374.2295,9.754009,0.467754906,0.372055951,0.634253596,0.585040913,0.473261631,0.440561214,0.476212296,-0.529854487,-0.336204312,-0.760875747,-0.485237851,-0.610579583,-0.438071682,-0.589030243
1100,C10 H20 O2 S,Hexyl 3-mercaptobutanoate,204.1187,0.8529979,0.551343207,0.650538384,0.314308234,0.394238327,0.60357403,0.69382633,0.41463363,0.541864071,0.746032469,0.298294753,0.522416199,0.543504557,0.759114489,0.401794722
1101,C40 H50 O2,Rhodoxanthin Esi+6.541993,561.3714,6.541993,0.158179069,0.019269166,0.452828978,0.218202243,0.182189294,0.069465018,0.332266218,-0.116193505,0.001193253,-0.256233849,-0.098941085,-0.157920467,0.033957009,-0.213001074
1102,C14 H20 O5,Kamahine C Esi+7.1140113,268.1289,7.1140113,0.768946467,0.617542526,0.909750766,0.648493582,0.841462835,0.595888007,0.84051327,0.778327482,0.66307456,0.915822197,0.725173238,0.828359963,0.65486329,0.857929396
1103,C8 H8 Cl2 I O3 P S,Iodofenphos,433.8161,11.799007,0.472220826,0.551666971,0.223394423,0.586496767,0.251799835,0.363138804,0.388343371,-0.169307962,-0.213473054,-0.116619781,-0.164846965,-0.194670577,-0.114369842,-0.204728591
1104,C21 H33 F O5,9a-Fluorotetrahydrocortisol Esi+5.2030025,384.2351,5.2030025,0.216383211,0.340274245,0.003885175,0.206697644,0.113723054,0.317389978,0.115656587,0.07508577,0.170207101,-0.038392308,0.110604955,0.008154728,0.194200301,-0.001711756
1105,C19 H35 N O5,C19 H35 N O5,357.2505,8.383027,0.223440404,0.341094116,0.684463219,0.335168304,0.765338028,0.536366655,0.604206553,0.252671772,-0.154986653,0.739001121,-0.125076014,0.788260514,-0.286821205,0.60050277
1106,C26 H20 N22 O4,C26 H20 N22 O4,704.205,16.700977,2.146742178,2.201629433,2.237774875,2.245817823,2.195941413,2.267184027,2.159827774,1.623885894,1.553588334,1.70774965,1.645681013,1.612089907,1.514364878,1.694498128
1107,C28 H44 N7 O4,C28 H44 N7 O4,542.3458,12.521978,1.516307888,1.370097237,1.385661446,1.414188971,1.328459303,1.441121505,1.369096589,1.684427669,1.700748039,1.664957754,1.725039728,1.606756839,1.858314441,1.572316461
1108,C8 H15 N O2,Lentiginosine,157.1101,3.9270017,0.284855664,0.078003533,0.893494578,0.472371442,0.059801355,0.280632318,0.224910688,-0.287471592,0.201832074,-0.871202281,-0.41278901,-0.149831731,-0.208462278,-0.338411808
1109,C32 H32 O16 S4,TS-TM-calix(4)arene,799.0513,13.083007,0.154832916,0.253788366,0.138529093,0.22609295,0.072195755,0.094955949,0.049210235,0.002096978,-0.048799859,0.06281601,0.013150642,-0.02990065,0.039617503,-0.022093887
1110,C26 H36 O5,"2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one",445.2873,5.6149926,0.603309011,0.526232164,0.683861988,0.464397646,0.7880025,0.725325877,0.502758687,0.235707308,0.215285618,0.260070026,0.17343996,0.318950313,0.283042935,0.205188285
1111,C35 H70 O8 P S,"1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine",658.4676,14.465031,0.178967018,0.269952717,0.03218888,0.244787239,0.077823163,0.208723349,0.082748735,-0.08468971,-0.170902466,0.018160597,-0.093169611,-0.058899629,-0.114186462,-0.065672067
1112,C7 H13 N O2,"3beta,6beta-Dihydroxynortropane",143.0949,0.87899864,0.7486288,0.661252176,0.944387863,0.713851902,0.97037685,0.559031935,1.032671674,-0.288653769,-0.374051609,-0.186775644,-0.319780533,-0.249214489,-0.331877748,-0.260785677
1113,C25 H42 O6,"3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol Esi+11.728022",446.8137,11.728022,0.228082952,0.16783162,0.383329907,0.168128002,0.311649611,0.362677741,0.221966821,0.155531746,0.147103563,0.16558642,0.16963359,0.106388796,0.255047545,0.091370244
1114,C6 H6 N6 O2,Temozolomide,194.0554,4.203992,0.592549721,0.329121919,0.752010364,0.389709035,0.65338934,0.681010548,0.426891502,0.491926129,0.318195841,0.699183316,0.430085886,0.566909618,0.682631884,0.368971103
1115,C27 H41 N3 O7,Vignatic acid B,536.3165,6.849984,0.427764488,0.708923795,0.045978075,0.427594161,0.204012711,0.671304558,0.175513631,0.143499185,0.309441428,-0.054467001,0.190538834,0.056201093,0.313368738,0.033978025
1116,C21 H32 N3 O8,C21 H32 N3 O8,454.2182,9.354986,1.663798222,1.552386682,1.730089755,1.609979746,1.731498068,1.676813672,1.679041613,2.522201894,2.458960083,2.597648264,2.464942631,2.556644654,2.533078017,2.515189656
1117,C19 H35 N O4,CAY10580 Esi+9.818996,341.2562,9.818996,0.240573805,0.256591253,0.237786108,0.182334698,0.336830731,0.299171563,0.289617633,0.203556572,0.28716259,0.10381606,0.218954691,0.173463136,0.261758587,0.166031588
1118,C15 H22 O5,Bisbynin Esi+7.9139724,282.1441,7.9139724,0.426308644,0.248930068,0.640683938,0.354552808,0.505998914,0.455939276,0.420210688,0.507635171,0.350235465,0.695410258,0.484177253,0.514468226,0.47497795,0.528690484
1119,C8 H23 N10 P,C8 H23 N10 P,290.1838,11.739012,0.113297083,0.291049417,0.148243496,0.101477006,0.309961709,0.247364039,0.012981017,-0.048492261,0.116430665,-0.245242419,-0.180524847,0.097919331,0.105752582,-0.147939595
1120,C50 H70 O2,2-demethylmenaquinone-8,701.5277,13.561021,0.101087028,0.185914733,0.16990655,0.182942247,0.080310076,0.002789054,0.008105696,0.016269932,-0.024485983,0.064891025,0.038415817,-0.032013785,0.098822291,-0.036954615
1121,C56 H85 N O13,Prorocentrolide,978.5892,14.64898,0.846760543,0.863130527,0.707608995,0.8425466,0.791326588,0.598791717,0.910681546,-0.736042816,-0.878001002,-0.566689191,-0.635408409,-0.893960466,-0.522390143,-0.873792566
1122,C24 H34 N2 O2,CAY10401,382.2563,6.427986,0.196557871,0.03894129,0.553650261,0.214046492,0.21685678,0.050264942,0.327689724,-0.114763393,0.016923317,-0.271863328,-0.074809563,-0.190861063,0.03430925,-0.210876018
1123,C33 H6 N3 O14 P,C33 H6 N3 O14 P,698.9597,12.591005,1.595784494,1.641254235,1.685334748,1.713402569,1.597652945,1.678534504,1.684908202,1.030555584,1.045959851,1.012178564,1.068369242,0.957125848,1.067908151,1.006473008
1124,C41 H79 O10 P,PG(13:0/22:1(11Z)),761.5291,13.559022,0.631908109,0.787344287,0.223780591,0.827367897,0.251270409,0.566950428,0.505116916,-0.222921127,-0.318399689,-0.109016878,-0.248777161,-0.201546878,-0.185997865,-0.246726915
1125,C22 H40 O5,"17,20-dimethyl Prostaglandin F1?",384.285,13.84101,0.539799531,0.541466731,0.507963861,0.529980922,0.535872551,0.525125785,0.540810927,0.450045578,0.496435375,0.394703364,0.467302604,0.432016562,0.469882755,0.437255819
1126,C31 H63 N8 O P,C31 H63 N8 O P Esi+16.056948,590.4741,16.056948,1.2540404,1.244571202,1.073671442,1.211057011,1.11590575,1.204315581,1.141421024,-1.180744823,-1.414257674,-0.902168089,-1.21878949,-1.137289388,-1.309823823,-1.097522836
1127,C22 H21 N10 O19 P S,C22 H21 N10 O19 P S,792.043,12.724043,0.094087981,0.02544492,0.313727742,0.038830639,0.265058662,0.165070571,0.155552257,0.11210243,0.082913573,0.146924225,0.127504523,0.070337056,0.161560536,0.080214967
1128,C25 H28 N7 O3 S3,C25 H28 N7 O3 S3,570.1413,14.574967,0.776167138,0.562726989,0.987980779,0.751630269,0.785649318,0.615526964,0.871996914,0.482479022,0.390964488,0.591654255,0.449789001,0.514674554,0.362802404,0.559638946
1129,C21 H44 O5,C21 H44 O5 Esi+14.391045,376.3185,14.391045,0.906100547,0.772022755,0.957369449,1.174771838,0.498425051,0.860859224,0.855293939,0.641330736,0.591334615,0.700975232,0.788112929,0.423343515,0.653290702,0.633619705
1130,C25 H2 N O17 P,C25 H2 N O17 P,618.9046,11.791014,1.470732937,1.491377922,1.571097021,1.499648226,1.420064684,1.614697351,1.466338189,0.795198383,0.835491484,0.747129419,0.840338869,0.70520791,0.905757141,0.723917078
1131,C37 H67 O8 P,"PA(16:0/18:3(9Z,12Z,15Z))",670.4659,15.55903,0.95617299,0.99324449,0.816326518,1.081271351,0.706222874,0.862399437,0.903336173,-0.850470118,-1.053144639,-0.60868297,-0.8770364,-0.829410371,-0.80796106,-0.877877274
1132,C28 H48 N4 O4 S,13(S)-HODE-biotin,553.3681,12.006024,2.003415453,2.015908312,2.002669654,2.009637628,2.070885106,2.253210587,1.92383192,2.318288796,2.442956946,2.169561879,2.397139447,2.166230437,2.58511953,2.146253191
1133,C46 H78 N2 O15,Spiramycin 3,457.7801,6.472008,1.158746765,1.049742574,1.303491706,0.967229265,1.41724886,0.98437651,1.230164013,0.976145204,0.692474743,1.314559086,0.7199923,1.324782401,0.678206546,1.168237233
1134,C24 H35 N3 O6,Strophanthidin Semicarbazide,478.2746,6.2449956,0.279234409,0.55749776,0.168555444,0.352947597,0.033754318,0.553670802,0.036348227,0.082577107,0.243546007,-0.109455967,0.151103827,-0.031852073,0.259090494,-0.031227577
1135,C18 H28 N4 O4 S,Phe Cys Lys,413.2081,10.614012,2.557533637,2.519252841,2.419722951,2.56591461,2.517159345,2.52546802,2.49848189,4.161366487,4.194952289,4.121299214,4.081023937,4.286345863,4.102497272,4.199321639
1136,C22 H N2 O17 P,C22 H N2 O17 P,595.9017,13.364012,1.57937125,1.595214749,1.56474948,1.539280453,1.584865781,1.577901461,1.612852444,0.889368499,0.924372082,0.847609838,0.908439687,0.850116952,0.928291588,0.86427335
1137,C27 H48 O9,"27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol Esi+12.383036",516.3305,12.383036,0.527165374,0.341193885,0.710822443,0.438421638,0.555225359,0.477237248,0.545163027,0.744262967,0.562455909,0.961155598,0.737583673,0.743796616,0.720525134,0.759567623
1138,C23 H40 O5,10-F2-dihomo-IsoP,396.2868,13.672047,0.375108077,0.342015253,0.336745233,0.306716332,0.294216105,0.429672577,0.24699137,-0.104189626,-0.12988937,-0.073530282,-0.102047684,-0.092199783,-0.160738291,-0.067730618
1139,C8 H15 N O2,C8 H15 N O2,157.1099,3.6459966,0.082504507,0.050940753,0.165512589,0.177408105,0.128687022,0.017768985,0.032696796,0.089235644,0.235151438,-0.084839339,0.04217753,0.153412542,0.140221696,0.056363057
1140,C26 H38 O5,"2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one",430.2743,8.68002,0.077606193,0.026786754,0.015374931,0.22683244,0.285636119,0.304593174,0.234063113,-0.069656198,-0.008129659,-0.14305628,-0.213763838,0.122634846,-0.165274113,-0.008007806
1141,C22 H19 N7 O19 P S,C22 H19 N7 O19 P S,748.0148,12.846983,0.334374569,0.431656258,0.056915252,0.452485557,0.064954965,0.283234179,0.232415012,-0.093979039,-0.150141361,-0.026978373,-0.083208044,-0.125956651,-0.046076362,-0.124863659
1142,C35 H67 O7 P,PA(P-18:0/14:1(9Z)),629.4523,14.045967,0.563447922,0.536470008,0.564852721,0.621374999,0.520039484,0.515410043,0.559261941,-0.361453844,-0.286355079,-0.451045353,-0.257430507,-0.516138679,-0.279786705,-0.414107658
1143,C30 H48 O10,Deoxycholic acid 3-glucuronide Esi+11.072017,568.3238,11.072017,1.179290606,1.06486478,1.615757804,1.146230023,1.462072298,1.303395733,1.339441537,1.447943045,1.29479263,1.630648802,1.450609403,1.415159565,1.556971272,1.37764853
1144,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+5.9639916,228.1338,5.9639916,0.542161883,0.470353286,0.462011382,0.387478692,0.576334953,0.541289362,0.404223937,-0.248832026,-0.205469634,-0.300562599,-0.157305323,-0.364060266,-0.24726838,-0.249840167
1145,C23 H42 N13 O2,C23 H42 N13 O2,532.358,11.8930025,0.533827961,0.727009272,0.360048729,0.717766213,0.24522755,1.001789296,0.32873727,0.309729457,0.453256208,0.138504561,0.443007401,0.089507774,0.573326436,0.139778772
1146,C39 H72 N O9 P,"PS(P-16:0/17:2(9Z,12Z))",746.5256,13.993965,0.378900786,0.469583093,0.007043012,0.408414864,0.12592112,0.262633063,0.238122583,-0.178740932,-0.258039671,-0.084138927,-0.184737162,-0.187862011,-0.153266063,-0.195165519
1147,C30 H52 N6 O3,C30 H52 N6 O3,544.4099,16.894032,0.631924246,0.646502679,0.441840447,0.596685372,0.503092284,0.533565358,0.570156323,-0.349303168,-0.470319248,-0.204933107,-0.317852838,-0.378054436,-0.335105558,-0.35845689
1148,C19 H32 O4,"methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate",324.2321,12.173018,1.745251995,1.7314651,1.863873868,1.695104455,1.846318623,1.739305228,1.86214586,1.228746968,1.261964108,1.189119503,1.22773905,1.196820457,1.271213323,1.201367344
1149,C33 H58 O10,Antibiotic X 14889C,614.4042,14.461974,0.21429888,0.248516923,0.044982257,0.273836713,0.050836796,0.114342028,0.163977811,-0.448403944,-0.518770485,-0.364457894,-0.47354903,-0.435084381,-0.361029453,-0.504737497
1150,C28 H50 O5,6?-Hydroxy-castasterone,466.3655,14.141043,0.891452774,1.043288797,0.579795466,0.77914345,0.916161651,0.945773763,0.760728504,-0.64438265,-0.805108861,-0.452639101,-0.554806354,-0.786208946,-0.659176244,-0.634844675
1151,C14 H26 O6,1-Octen-3-yl glucoside,290.1727,6.426016,1.561916071,1.494797773,1.512074902,1.38698108,1.697051078,1.48029972,1.589718659,1.45658926,1.490649946,1.415955459,1.379946777,1.54154839,1.512097205,1.420801243
1152,<none>,<none> Esi+12.444016,741.0096,12.444016,0.210272399,0.247772764,0.28595745,0.040400688,0.42139732,0.390572348,0.17925637,0.167404211,0.19146771,0.138696879,0.148101188,0.172213566,0.266966792,0.103212547
1153,C28 H46 N3 O9,C28 H46 N3 O9,567.333,11.925029,1.572809103,1.292661861,1.817405533,1.399669492,1.72178994,1.205526563,1.795500675,2.706198914,2.316471544,3.17113683,2.475895954,2.994471694,2.271557321,2.986428363
1154,C29 H48 O5,"(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one",476.3507,13.419981,0.486400628,0.583217499,0.226110959,0.619322549,0.284066299,0.462573637,0.379494978,-0.174243733,-0.215109207,-0.12549194,-0.170596095,-0.190109422,-0.126425243,-0.205074076
1155,C18 H35 N O,Oleamide,281.2706,14.512958,1.711328225,1.777107053,1.383042317,1.647718904,1.660383592,1.726098968,1.588874256,-1.135980012,-1.18562679,-1.076752276,-1.063329445,-1.224885883,-1.063576364,-1.182661311
1156,C29 H48 Cl2 N5,C29 H48 Cl2 N5,536.3321,13.297983,2.47243464,2.33215108,2.822850483,2.554473905,2.646879291,2.468437906,2.62809883,2.605133035,2.345070301,2.915383315,2.469979811,2.78511358,2.396564395,2.739604922
1157,C30 H58 P S,C30 H58 P S,481.3977,14.482965,1.078811167,1.248497252,0.633232306,1.078372821,0.926328977,1.18419618,0.898741095,-0.528362945,-0.705103135,-0.317514998,-0.52418036,-0.539572451,-0.601324283,-0.481322082
1158,C18 H45 N18 O3,C18 H45 N18 O3,561.394,13.831037,0.014184586,0.192486795,0.346004461,0.165185493,0.20213999,0.031245121,0.074244491,0.061715646,-0.000655126,0.136122883,0.062222532,0.048978385,0.121641314,0.02307936
1159,C30 H55 N15 O2,C30 H55 N15 O2,657.4654,13.36798,0.202597909,0.157686405,0.830532326,0.25533667,0.283675873,0.061595851,0.342978667,0.178219048,-0.02518038,0.420870996,0.175244414,0.186659531,0.113208634,0.220133656
1160,C17 H37 N O2,C17 Sphinganine Esi+9.566994,287.2822,9.566994,1.506726846,1.625992702,1.557335443,1.535528153,1.783976837,1.715023838,1.620186494,-0.627515831,-0.617086,-0.639958437,-0.598470452,-0.672508472,-0.623090248,-0.630369168
1161,C6 H12 S2,1-Propenyl propyl disulfide,148.0371,14.070013,0.923400894,0.921868504,1.099922666,1.002867253,0.863606305,0.74687041,1.119064772,0.563238609,0.515318373,0.620406611,0.625672132,0.514263829,0.413880511,0.659535278
1162,C11 H21 N O4,N(alpha)-t-Butoxycarbonyl-L-leucine,231.1476,5.1330085,0.865580225,0.708372924,0.859911468,0.53875474,1.11044559,0.699821731,0.932999338,0.779976161,0.737765129,0.830333181,0.638261957,0.973720221,0.752943007,0.797405431
1163,C18 H15 O P,Triphenylphosphine oxide,278.0862,9.297996,0.12961307,0.229303251,0.078506726,0.224263274,0.00515878,0.557834415,0.081901791,-0.214968633,-0.269492357,-0.149922785,-0.383138722,-0.004170654,-0.465010079,-0.0537577
1164,C40 H73 O10 P,"PG(16:0/18:3(6Z,9Z,12Z)) Esi+15.186022",743.4811,15.186022,1.221671796,1.350571979,0.953615153,1.285712543,1.059047119,1.196213777,1.204486228,-1.15346257,-1.353402227,-0.914938066,-1.142743431,-1.138160365,-1.111611151,-1.180445721
1165,C15 H22 N O4,Feruloylcholine Esi+4.88799,257.1638,4.88799,0.418898259,0.625641692,0.103253706,0.52988881,0.269953937,0.207600232,0.531394446,0.295978348,0.524141688,0.023783486,0.464330999,0.071844413,0.266017504,0.315295208
1166,C48 H91 O10 P,"PG(22:2(13Z,16Z)/20:0)",440.3071,11.120026,0.2814095,0.127037603,0.523049067,0.213049857,0.339535007,0.299463071,0.288810357,0.178911844,0.128529564,0.239017019,0.191327332,0.130578885,0.227007593,0.147902742
1167,C44 H79 O10 P,"PG(20:0/18:4(6Z,9Z,12Z,15Z))",798.5492,13.083007,0.447665399,0.541153504,0.127715829,0.505884609,0.227472789,0.346625361,0.342666183,-0.16325744,-0.228072825,-0.085933823,-0.156413817,-0.190305636,-0.125274622,-0.187746362
1168,C41 H51 N25 O3,C41 H51 N25 O3,941.4576,5.7430058,1.560538964,1.546268587,1.46542287,1.409459939,1.681382827,1.610596023,1.481911305,1.642817209,1.781596584,1.477255848,1.438813641,1.94755299,1.776642549,1.556535081
1169,C19 H17 N O7,Nedocromil,370.0935,15.495052,1.82472119,1.75630646,2.009935329,1.87657449,1.810692263,1.842578142,1.849179521,1.236628895,1.110872879,1.386653615,1.287361802,1.183859598,1.118001527,1.313112329
1170,C19 H32 O8,Dihydroroseoside Esi+9.329991,388.2098,9.329991,0.898800822,0.839690797,0.840649066,0.813608014,0.883779136,0.552027238,0.99726788,-0.876324083,-0.900618131,-0.847341711,-0.750920086,-1.056634054,-0.615815491,-1.044283571
1171,C18 H39 N,1-Octadecanamine,269.3077,11.016025,0.27834377,0.285781098,0.23896557,0.335380125,0.242842939,0.312691233,0.238065155,-0.027744337,-0.075664259,0.029423289,-0.003518319,-0.060789199,-0.02421393,-0.030020521
1172,C28 H46 O3,"(24R)-1?,25-dihydroxy-24-methylvitamin D3 /(24R)-1?,25-dihydroxy-24-methylcholecalciferol",430.3447,16.878965,1.136036285,1.307590206,0.938888736,1.173696993,1.229488594,1.249765965,1.085093556,1.472505266,1.621881569,1.294301956,1.451904227,1.577460901,1.523584211,1.439572788
1173,C46 H81 O9 P,"PG(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))",403.7772,9.108995,0.544464791,0.479861192,0.639968512,0.795943629,0.243292307,0.624931875,0.455947124,-0.409603096,-0.325097585,-0.510416688,-0.486906171,-0.328384406,-0.34320913,-0.452409732
1174,C25 H47 N O4,Vaccenyl carnitine,447.3292,13.041014,0.699456871,0.637537175,0.689293166,0.790818488,0.566374882,0.621880365,0.626418211,-0.23480976,-0.203395553,-0.272286359,-0.215287523,-0.273220114,-0.174786687,-0.273508847
1175,C37 H62 O12,Cyclopassifloside X Esi+14.693045,720.4058,14.693045,0.622116182,0.401272168,0.824589121,0.626707839,0.545727049,0.620112812,0.598605397,0.457393811,0.358231971,0.575692145,0.486147258,0.417427359,0.497247348,0.431698767
1176,C35 H56 O6,22-Angeloylbarringtogenol C,572.4023,11.948979,0.081384365,0.123452043,0.037759412,0.080832834,0.026674011,0.002997738,0.06438987,-0.059873289,-0.098575363,-0.013702393,-0.068302767,-0.071661099,-0.068895785,-0.054056154
1177,C15 H30 N6 O4,Ala Leu Arg,358.2327,11.718013,0.664555322,0.656618817,0.778872522,0.743242694,0.512231474,0.77505807,0.637261856,0.297745347,0.273175972,0.327056181,0.349999848,0.214879045,0.340751647,0.270017601
1178,C18 H19 N O26 P,C18 H19 N O26 P,695.9936,13.822018,0.111937586,0.011933455,0.378201366,0.043974272,0.291935311,0.176757834,0.173547298,0.103865256,0.060275773,0.155866745,0.110041287,0.079680737,0.149512348,0.074434895
1179,C42 H74 O14,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid Esi+13.972972,819.5365,13.972972,0.008625438,0.230110039,0.362636528,0.051241444,0.088746624,0.123296932,0.116279432,0.149858712,-0.156527914,0.515372582,0.13741065,0.152245101,0.001855103,0.245282092
1180,C39 H67 O7 P,"PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))",677.4551,7.600983,0.533299435,0.371288234,0.777293339,0.636188641,0.425230152,0.30628384,0.622475593,-0.267442868,-0.157505827,-0.39859583,-0.259831753,-0.297425438,-0.121935849,-0.361256605
1181,C5 H12 N,Neurine,85.0891,1.4440001,0.519575581,0.694911376,0.262590526,0.526081136,0.408134394,0.438411152,0.514283021,0.237621463,0.355804496,0.096631179,0.279184525,0.191642305,0.256411632,0.225506749
1182,C50 H82 N6 O14,C50 H82 N6 O14,990.5878,16.779036,0.71294858,0.690072234,0.628784506,0.655454212,0.682672974,0.859916587,0.56629233,0.858854249,0.891987027,0.819327427,0.894082821,0.809473765,1.10227843,0.701909712
1183,C44 H72 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:2(9Z,12Z))",773.5018,14.113023,0.466090266,0.60071118,0.152984968,0.424492348,0.414683999,0.397859788,0.425786114,-0.494219004,-0.762593871,-0.174052497,-0.438662327,-0.596630678,-0.529460419,-0.471497566
1184,C41 H66 O13,Soyasaponin IV Esi+13.832017,766.4474,13.832017,0.048570332,0.074834345,0.305803662,0.074100013,0.032901108,0.125907678,0.065082183,0.18462467,0.056670497,0.337271753,0.245846595,0.072928021,0.227368407,0.157066208
1185,C23 H41 N O5,N-oleoyl glutamic acid,411.3007,11.954022,1.079906596,1.117476019,1.098414461,1.199776835,1.028141784,1.088682005,1.108500283,-0.71465647,-0.690546085,-0.743419737,-0.657458426,-0.807457726,-0.628001461,-0.770526147
1186,C42 H74 N O8 P,"PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))",750.5081,13.414007,1.050810192,1.034314232,1.157273281,1.078653081,0.975107901,1.188875575,1.043000711,0.632517312,0.650793531,0.610714105,0.676991029,0.546725066,0.744392744,0.5603871
1187,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+9.073981,440.2025,9.073981,1.271183926,1.19021081,1.302023957,1.133028512,1.338422786,1.314346106,1.21239058,1.786986289,1.699450755,1.891414647,1.706865953,1.855525966,1.806431976,1.774448939
1188,C17 H8 N7 O20 P,C17 H8 N7 O20 P,660.9543,11.683024,0.390156628,0.508386991,0.055653325,0.344708483,0.275208889,0.171564259,0.362673303,-0.101844903,-0.200303657,0.015614664,-0.060489152,-0.183494809,-0.025421129,-0.151118125
1189,C19 H41 N O2,C19 H41 N O2 Esi+11.114012,315.3134,11.114012,0.112150093,0.217480367,0.000279182,0.389671603,0.261104922,0.343810621,0.067639373,-0.004101211,-0.02447824,0.020208226,-0.03987495,0.054559033,-0.048351812,0.024428782
1190,C18 H19 N O27 P,C18 H19 N O27 P,711.9883,12.032976,0.464993097,0.35323737,0.582538979,0.377235591,0.420657165,0.403866689,0.505532691,0.405734228,0.359705227,0.460646018,0.445825972,0.326150803,0.450355119,0.376965496
1191,C18 H23 N O,Norpropoxyphene carbinol,286.2041,8.44398,1.537344255,1.75691767,1.431146271,1.587075588,1.636977491,1.859747593,1.432479092,-1.066776526,-1.134437119,-0.986058624,-1.113726102,-1.001291327,-1.227112903,-0.963401756
1192,C26 H24 N2 O3 S2,C26 H24 N2 O3 S2,476.1225,13.833007,0.9551294,1.116686376,0.619855344,0.923588754,0.859820901,1.022243968,0.840908205,-1.066897001,-1.309047284,-0.778015961,-1.089690632,-1.056280897,-1.285511586,-0.925948124
1193,C23 H20 O6,Hookerianin,414.1111,2.0499957,0.993361613,1.162569485,0.564110513,0.794653423,0.993683408,0.770898549,0.96573587,0.926738265,1.129234485,0.685163828,0.813685834,1.110046713,0.857915462,0.971110863
1194,C17 H44 N13 O3 P,C17 H44 N13 O3 P,508.2783,12.17503,1.701651238,1.758635773,1.643445213,1.580092249,1.774338533,1.81382429,1.656183603,1.087489779,1.171680087,0.987052218,1.079966497,1.074052549,1.199058351,1.01555741
1195,<none>,<none> Esi+5.831999,334.7166,5.831999,1.035460167,0.854359765,1.197986107,1.019949349,1.135419915,1.058120412,0.954441233,0.675106096,0.530417965,0.847716498,0.544188263,0.855064887,0.582344174,0.734913124
1196,C29 H46 O2,1?-hydroxy-24-methylvitamin D2 / 1?-hydroxy-24-methylergocalciferol,426.3496,14.840033,1.263279891,1.448864266,1.10357598,1.306133953,1.202176265,1.443330575,1.221115945,-1.246541061,-1.520400348,-0.919831736,-1.293316134,-1.182481695,-1.345751595,-1.182576374
1197,C19 H21 F O4,1-Dehydro-9-fluoro-11-oxotestololactone,332.1444,4.9149985,0.138544438,0.166336206,0.513764647,0.369275695,0.116612943,0.216812847,0.076289544,0.135227784,-0.056611166,0.364088284,0.200297787,0.070899185,0.122915306,0.143166091
1198,C11 H20 O5,C11 H20 O5 Esi+6.3189793,232.131,6.3189793,0.179154032,0.035312624,0.500686905,0.13934706,0.19031587,0.055397299,0.300084404,0.128264606,-0.00609505,0.288553318,0.159907895,0.074930115,0.056556611,0.174497392
1199,C20 H26 N4 O,Lisuride,338.2106,13.767032,0.503424997,0.325238719,0.685048988,0.477954826,0.378802878,0.637658942,0.399863834,-0.25305965,-0.196494146,-0.320541305,-0.291614171,-0.187171894,-0.338747362,-0.197813626
1200,C10 H12 Mo N5 O7 P S3,Molybdenum cofactor (sulfide),549.8996,13.554987,0.363988821,0.470710411,0.064811672,0.503764126,0.137287269,0.316274694,0.249705755,-0.106880404,-0.150583776,-0.054743048,-0.096495978,-0.132948401,-0.055120463,-0.140251945
1201,C5 H7 N O3,(R)-(+)-2-Pyrrolidone-5-carboxylic acid,129.0422,1.1089981,0.34178436,0.389252993,0.283601454,0.307591287,0.289372338,0.23038415,0.389395927,-0.198840411,-0.236085333,-0.154407873,-0.200984056,-0.177896548,-0.187150499,-0.206377328
1202,C8 H16 O4,"6,8-dihydroxy-octanoic acid",176.1047,5.6330132,0.427643892,0.65714594,0.006020595,0.43702922,0.456521994,0.46107597,0.34191649,-0.152923423,-0.305351304,0.028920366,-0.122745002,-0.211781178,-0.140809135,-0.160733951
1203,C37 H62 O11,Cyclopassifloside II Esi+12.599042,699.4622,12.599042,1.383642868,1.188743006,1.353791684,1.13098823,1.364796823,1.08371319,1.423787361,1.554094468,1.536847177,1.574670184,1.520284125,1.576931022,1.514769792,1.579448536
1204,C5 H14 N O,Choline Esi+12.5689945,103.0998,12.5689945,1.682296096,1.657037495,1.646905184,1.633122049,1.617747674,1.549190895,1.67457457,-3.073426946,-3.098973575,-3.042950267,-3.282802257,-2.798717668,-3.184641977,-3.001722519
1205,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+9.934001",342.2037,9.934001,0.34736767,0.37529285,0.190693101,0.455496322,0.155508562,0.20574664,0.345195572,-0.165747186,-0.230402498,-0.088614532,-0.171631268,-0.150766761,-0.102393014,-0.206593955
1206,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.1199956 :1,228.1363,7.1199956,0.113408102,0.005609875,0.206830676,0.068029669,0.054605964,0.20192941,0.047711536,0.091290763,0.057258985,0.131890078,0.126291347,0.026077077,0.172862835,0.038698243
1207,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+6.637977,510.3193,6.637977,0.960316611,0.742483887,1.146008853,0.672434392,1.241983052,0.71630369,1.031519339,0.766796261,0.482051098,1.106492245,0.535361055,1.082540409,0.494211847,0.942541475
1208,C6 H9 N3,C6 H9 N3,123.0795,14.900955,0.083425127,0.002566509,0.110515528,0.170495064,0.18989087,0.215517577,0.204345853,-0.087568457,-0.133663317,-0.032578098,-0.220514374,0.097667706,-0.258169363,0.022424232
1209,C22 H22 O11,Rhamnetin 3-rhamnoside,462.1225,14.070014,1.558043401,1.713531249,1.483944295,1.672077209,1.533253857,1.498780348,1.652107522,1.286873744,1.409308402,1.140811344,1.327688416,1.273182256,1.139227617,1.382066641
1210,C15 H32 O6,"1,2,3-Tris(1-ethoxyethoxy)propane",308.2195,6.7239995,0.310096448,0.569746088,0.083783331,0.526478129,0.091638555,0.509389611,0.293107917,0.042471041,0.092735348,-0.017493396,0.074790953,-0.006535858,0.086074656,0.014358184
1211,C17 H11 N10 O16 P S,C17 H11 N10 O16 P S,673.9805,13.88402,0.352314811,0.450230802,0.018701096,0.413224977,0.124755447,0.181533965,0.313346241,-0.109533914,-0.168865725,-0.038752105,-0.097076645,-0.139357086,-0.03516943,-0.157479437
1212,C28 H58 Cl N3 P,C28 H58 Cl N3 P,502.4014,15.951974,0.167546097,0.081200336,0.343985911,0.316803138,0.061519152,0.154667406,0.201580948,0.187194451,-0.042391123,0.461086013,0.267794305,0.062640502,0.071700831,0.261657443
1213,C15 H14 N O22 P S,C15 H14 N O22 P S,622.9466,13.677001,0.360219955,0.515902224,0.058880526,0.438877592,0.17070933,0.255630013,0.27070942,-0.11275255,-0.177425377,-0.035599002,-0.086754202,-0.162919838,-0.045066439,-0.15639228
1214,C21 H29 F O2,"6alpha-Fluoropregn-4-ene-3,20-dione",332.2191,9.135988,1.64162973,1.398255448,1.77330126,1.34993332,1.893743638,1.285628765,1.790945227,1.633391602,1.448983466,1.853387273,1.397747532,1.947280134,1.359362882,1.810068013
1215,C45 H85 O12 P,PI(P-18:0/18:1(9Z)),847.5667,14.312989,1.304054019,1.369399695,1.082710465,1.443254624,1.007724233,1.378863625,1.158166295,-0.958979401,-1.16094596,-0.718036839,-0.98016976,-0.933146592,-1.005567848,-0.928942112
1216,C22 H30 N13 O2,C22 H30 N13 O2,508.2641,12.13796,0.698484266,0.608903092,0.709217012,0.636662974,0.702950651,0.814816597,0.599974774,0.587862748,0.552837442,0.629647322,0.592147467,0.539799264,0.731698245,0.495126703
1217,C18 H32 O3,12(13)-EpOME Esi+15.970966,296.2344,15.970966,1.241584281,1.371772279,1.054646612,1.284850318,1.118724632,1.327277321,1.128475412,-1.505884103,-1.68962337,-1.28668638,-1.625774801,-1.354992024,-1.632490204,-1.424256485
1218,C11 H24 N O2,Caproylcholine,201.1725,6.194986,1.455760287,1.470203846,1.639099078,1.445643484,1.726117331,1.652967916,1.50302307,1.636166336,1.43692192,1.873861429,1.572077708,1.750975465,1.620605105,1.646199235
1219,C11 H14 O5,Dihydrosinapic acid,226.0813,4.833007,0.19805275,0.072603145,0.319026734,0.055544557,0.428890771,0.210064052,0.236146203,0.139898542,0.109871455,0.17572033,0.086579419,0.197886888,0.181686191,0.112956504
1220,C34 H5 N5 O12 P,C34 H5 N5 O12 P,705.9671,12.977033,1.473617277,1.418098977,1.635117972,1.452396977,1.54447933,1.505549443,1.550148827,0.766059907,0.778954905,0.750676401,0.778624311,0.730864052,0.804756717,0.741110648
1221,C22 H43 N5,C22 H43 N5,377.3512,4.745985,0.184788788,0.03191044,0.432256232,0.089415106,0.247744689,0.090932881,0.202007027,-0.121814292,-0.053333897,-0.203510202,-0.060093937,-0.187079588,-0.052944502,-0.166217183
1222,C21 H49 N16 P,C21 H49 N16 P,556.4074,13.968995,0.14405924,0.179851639,0.016705614,0.298993564,0.07469058,0.026668969,0.132732715,-0.031451547,-0.020667214,-0.044317066,-0.050171517,-0.02268494,0.093669906,-0.112121957
1223,C24 H45 N O9,C24 H45 N O9,491.3088,10.868985,1.481671669,1.382979208,1.596706951,1.522805836,1.41480302,1.549814805,1.451512762,1.673897434,1.547611877,1.824553887,1.742198015,1.548449303,1.720269131,1.643999891
1224,C18 H38 N8 O4,Arg Lys Lys,430.3035,13.043964,0.888778333,0.809813451,0.898346947,0.990229096,0.714743905,0.800917691,0.846203476,-0.363104155,-0.311306521,-0.424897824,-0.357065253,-0.383179044,-0.297661224,-0.405297624
1225,C37 H62 O12,Cyclopassifloside X Esi+14.70197,715.4507,14.70197,0.718234867,0.890436601,0.358810607,0.695553796,0.593101204,0.512143397,0.72000002,-0.539229558,-0.768418458,-0.265811222,-0.51142338,-0.565449161,-0.432065998,-0.608321854
1226,C47 H72 O15,Pectenotoxin 2 secoacid,438.244,6.375987,1.110150055,1.044136138,1.218171006,0.939595373,1.336439449,1.047449985,1.120237684,0.949662594,0.701510727,1.245703417,0.723111024,1.253981367,0.717673916,1.099234242
1227,C18 H32,"3,7-Diethyl-11-methyltrideca-1,3,6,10-tetraene",270.2305,7.500984,1.043144514,0.99332027,1.033691152,1.120684774,0.975539947,1.046287178,1.005133787,-0.916861337,-1.044652502,-0.764408719,-1.026669675,-0.799664922,-1.038342834,-0.83853774
1228,C33 H48 N4 O6,L-Urobilinogen Esi+12.844975,596.3529,12.844975,2.394886097,2.230748126,2.568102416,2.342186974,2.541458381,2.340189395,2.463082069,3.860701942,3.637942223,4.126450379,3.68987106,4.07643576,3.677995587,3.97849946
1229,C29 H37 N3 O2,Deoxytubulosine,459.2834,13.160965,1.232036226,0.905144731,1.576974395,1.218354817,1.241641629,1.160392005,1.263163161,1.345430288,0.994831433,1.763688571,1.270046126,1.461500705,1.172051769,1.457213807
1230,C29 H61 N4 P S2,C29 H61 N4 P S2,560.4045,14.824968,1.331647074,1.420674948,1.032461368,1.353800354,1.184131042,1.394779504,1.211766681,-1.183745954,-1.438171121,-0.880221192,-1.183925025,-1.184846804,-1.216359204,-1.162718989
1231,C29 H59 N11 P,C29 H59 N11 P,592.4688,15.965025,1.245753769,1.373825809,1.062444199,1.281798176,1.11841571,1.310249878,1.154168513,-1.56617756,-1.819140832,-1.264396814,-1.748578178,-1.330401098,-1.718076128,-1.468242957
1232,C26 H41 N O3,Myxalamid A,415.3076,6.8470106,0.19451706,0.229035217,0.15923516,0.270333788,0.063503999,0.702544472,0.13690258,0.256736969,0.341793195,0.155266383,0.421689668,0.009281652,0.751606379,-0.062323572
1233,C11 H19 N6 O6,C11 H19 N6 O6,331.1257,5.802993,1.371119421,1.192943316,1.42136997,1.282261328,1.416226562,1.095699926,1.467185754,1.493413169,1.450590305,1.544500094,1.38263433,1.650910943,1.260598645,1.64351727
1234,C45 H86 N O10 P,PS(19:1(9Z)/20:0),853.5701,13.443039,0.653374621,0.755691674,0.381333155,0.500915699,0.631076568,0.555382135,0.577831605,-0.286341642,-0.439114758,-0.104085995,-0.237687221,-0.328375896,-0.323850693,-0.262158176
1235,C23 H25 N2 O5,Bleekerine,386.1862,10.813983,0.538800387,0.34707,0.943966858,0.5106769,0.750779511,0.612001289,0.636132557,0.349610336,0.181866082,0.549726289,0.307274175,0.414673199,0.279737735,0.394659776
1236,C49 H80 N3 O16,C49 H80 N3 O16,966.5521,14.111024,0.858167181,0.920510709,0.759841647,0.974607926,0.759508061,0.982504995,0.815331155,0.650854727,0.694091188,0.599274388,0.690952439,0.559927825,0.710038249,0.61269693
1237,C10 H22 O3,C10 H22 O3,190.157,8.286009,0.096369734,0.406800271,0.37514083,0.232790429,0.158710445,0.534711874,0.185664777,-0.012072837,-0.14965984,0.152066044,-0.089593585,0.109228793,-0.180085481,0.096251105
1238,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+12.052001",414.2253,12.052001,1.630262797,1.315668226,1.936016519,1.490607633,1.799010021,1.603777584,1.661818241,1.98814773,1.658249917,2.381710034,1.858999259,2.166123199,1.875582554,2.060722647
1239,C16 H6 N7 O19 P,C16 H6 N7 O19 P,630.9438,12.759019,0.432972838,0.703534513,0.07924242,0.427762553,0.322334789,0.454148699,0.337824808,-0.202151534,-0.324932984,-0.055675418,-0.19974209,-0.203962694,-0.200098056,-0.203475487
1240,C17 H17 N3 O3,Imazaquin,310.1202,7.714991,0.932155308,0.759191043,1.095929958,0.762769334,1.078312094,0.805780113,0.978791716,0.574141149,0.476431617,0.690706906,0.489904486,0.685624613,0.500165767,0.621835803
1241,C31 H51 N2 O S,C31 H51 N2 O S,499.3717,10.196024,0.400020312,0.362668023,0.37495126,0.423597902,0.312222347,0.203650474,0.420389277,-0.183697716,-0.151098864,-0.222587574,-0.147135305,-0.261480736,-0.060198521,-0.263322197
1242,C14 H20 O5,Kamahine C Esi+7.5529857,268.1287,7.5529857,0.310771413,0.430237331,0.040372756,0.405956437,0.095720666,0.375831615,0.150402655,-0.424500089,-0.743898233,-0.043463707,-0.590793986,-0.189007658,-0.475050111,-0.391908628
1243,C40 H60 N10 O15,C40 H60 N10 O15,920.4234,5.7459826,1.123842076,1.173675703,0.809284561,0.816563282,1.420569559,0.861538403,1.23790235,0.958064836,1.08305759,0.808950673,0.736047624,1.303383089,0.816207706,1.049525354
1244,C16 H10 O23 P,C16 H10 O23 P,600.9334,13.763975,0.305761583,0.395057684,0.002607723,0.44010973,0.075634338,0.198915567,0.230277365,-0.077130502,-0.117374331,-0.029120319,-0.068709784,-0.102925699,-0.005949778,-0.123023337
1245,<none>,<none> Esi+12.92897,471.8206,12.92897,1.888888764,1.965661117,1.95918111,1.960287965,1.970687783,2.019603621,1.950596183,0.956220444,1.007967887,0.894486652,0.981448871,0.904886694,1.005206444,0.924637365
1246,C30 H52 N3 O5,C30 H52 N3 O5 Esi+14.400949,534.3903,14.400949,0.832100309,0.984004744,0.538820927,0.696801609,0.921826526,0.630863485,0.814509397,-0.4753422,-0.580750522,-0.349591921,-0.342654093,-0.669732143,-0.311806889,-0.58077944
1247,C17 H47 N16 P S,C17 H47 N16 P S,538.3624,12.643007,1.675964557,1.694814192,1.730423893,1.685320818,1.714324857,1.769379616,1.694679428,0.859505554,0.893069289,0.819464608,0.885931201,0.806219281,0.932045509,0.812736373
1248,C36 H20 N12 O2 P,C36 H20 N12 O2 P,683.1562,9.970972,0.044529814,0.041711572,0.179230553,0.164670089,0.020565324,0.232774606,0.051592706,0.270295864,0.222559421,0.327244602,0.357990444,0.113982493,0.434120824,0.164671876
1249,C32 H64 O8,"1-(O-alpha-D-glucopyranosyl)-(1,3S,25R)-hexacosanetriol",576.46,15.733951,0.975514342,1.074495424,0.859074019,1.08518051,0.938480371,1.116297593,0.925994864,-0.946568236,-1.131844655,-0.725536717,-0.981152528,-0.9299272,-1.100247954,-0.847485259
1250,C27 H46 O9,C27 H46 O9 Esi+12.18701,514.3244,12.18701,1.945342028,1.900065097,2.140278117,1.943136696,2.07012433,1.966752875,2.041963924,1.603795038,1.504655976,1.722066201,1.584727531,1.612095101,1.619852903,1.593441942
1251,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol",441.3286,9.472005,0.209133558,0.392174869,0.033736608,0.102878308,0.302817583,0.144749483,0.262462362,-0.233518997,-0.396122608,-0.039535743,-0.124165776,-0.348197584,-0.226796656,-0.237853139
1252,C34 H24 O22,Granatin A,806.0587,13.416993,0.124829331,0.240561735,0.208465576,0.201599115,0.138950664,0.055225445,0.04295881,0.004820664,-0.051761344,0.072322006,-0.002908534,0.001039735,0.028935586,-0.010727115
1253,C23 H53 N13 O4 P,C23 H53 N13 O4 P,604.4003,12.346986,0.3807836,0.332387033,0.498211036,0.348656058,0.378403306,0.456232215,0.375671559,0.218268098,0.215368725,0.221726998,0.245202826,0.162653466,0.289543152,0.172314445
1254,C18 H30 O8,6-Epi-7-isocucurbic acid glucoside Esi+8.75,374.1941,8.75,0.585140522,0.473676112,0.681551391,0.505682214,0.594322332,0.304854617,0.666541488,-0.501473419,-0.460018704,-0.550928165,-0.370003006,-0.694414274,-0.280618068,-0.643867
1255,C26 H57 N O9 P,C26 H57 N O9 P,558.3767,13.504959,0.211524572,0.322946373,0.032912519,0.136904344,0.276014304,0.185233717,0.181372611,-0.108847152,-0.27266029,0.086579046,0.002226809,-0.276447992,-0.115443664,-0.104594138
1256,C26 H41 N O4,Malyngamide H Esi+10.1310005,431.3006,10.1310005,0.452622948,0.478600154,0.313387391,0.477515966,0.386323446,0.5160967,0.425987358,-0.481689729,-0.546438721,-0.404445316,-0.461880837,-0.523574596,-0.498225621,-0.471028429
1257,C29 H40 N11,C29 H40 N11,541.3807,12.427001,2.41415631,2.314381187,2.601076357,2.478723026,2.495538829,2.368401502,2.514971395,4.680578189,4.328606669,5.100474038,4.553111544,4.830037177,4.517531815,4.785700194
1258,C38 H48 N4 O2,Santiaguine,592.3782,10.155023,0.673408837,0.664251425,0.660917417,0.718593025,0.522153237,0.823670666,0.600311103,0.459489886,0.496332177,0.415537679,0.55470194,0.302211163,0.634350877,0.346750563
1259,C30 H44,"4,4'-Diapo-zeta-carotene",404.3496,15.543961,0.634569555,0.811573702,0.145402651,0.605430418,0.486677511,0.700710806,0.435397132,-0.280905584,-0.447576669,-0.082069904,-0.275687301,-0.295895038,-0.349266771,-0.236830609
1260,C30 H52 N3 O5,C30 H52 N3 O5 Esi+15.201968,534.3895,15.201968,0.928184005,1.045457259,0.694324791,0.871873109,0.896025332,0.837788562,0.896366821,-0.570774461,-0.673547291,-0.448168278,-0.533341018,-0.641087886,-0.54627889,-0.586567658
1261,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.487021",214.1203,6.487021,0.30393831,0.288797804,0.246852882,0.316489397,0.226372869,0.100876143,0.315715527,-0.176921479,-0.206486382,-0.141651068,-0.16413146,-0.202055957,-0.089652401,-0.233187068
1262,C11 H21 N O5,C11 H21 N O5,247.1418,1.2189972,1.425654664,1.647226782,0.952586706,1.496520945,1.190840107,1.727782673,1.289552413,1.260567844,1.690483742,0.74768572,1.436043038,1.010904127,1.535847779,1.083084728
1263,C14 H23 N O6,C14 H23 N O6,301.1529,11.193026,1.32941407,1.303116362,1.545560558,1.324217024,1.591244001,1.480975753,1.393204756,1.376385903,1.150009678,1.646448768,1.239583628,1.591041536,1.249062566,1.45847595
1264,C12 H16 N7 O,C12 H16 N7 O,274.1419,8.599985,1.165290363,1.278262714,0.825936934,1.17364848,0.973876167,1.014412774,1.155640564,-1.204314585,-1.381563722,-0.992859475,-1.257538684,-1.100910279,-1.249943912,-1.174895677
1265,C32 H67 N O7 P,LysoPC(24:0) Esi+12.759019,630.4426,12.759019,0.538671627,0.656193379,0.242985923,0.692369784,0.242138645,0.787283932,0.275819014,-0.242911809,-0.340161414,-0.126894735,-0.302858416,-0.133833604,-0.439585672,-0.116108923
1266,C10 H18 O5,5-hydroxysebacate Esi+5.6639843,218.1152,5.6639843,1.081341457,1.044022267,1.141679543,0.970776326,1.127875088,1.138232094,1.033673051,0.844003419,0.83801408,0.851148595,0.854973706,0.815955131,0.947064149,0.777556369
1267,C16 H25 N O4,Esmolol,295.1747,5.696009,0.636631721,0.57134757,0.489716722,0.654831379,0.493066549,0.81217527,0.389720664,0.315236893,0.357634922,0.264656788,0.298447791,0.3176981,0.420038038,0.247667734
1268,C39 H75 O10 P,PG(16:0/17:1(9Z)),733.4998,11.980974,0.024106491,0.094881012,0.179231691,0.077638502,0.092745813,0.094192423,0.021408079,0.055954371,0.017061571,0.102352799,0.064906294,0.017898997,0.117867224,0.016036874
1269,C20 H23 N O27 P,C20 H23 N O27 P,740.0197,13.636977,0.500887957,0.607897019,0.144053971,0.624200298,0.187110718,0.428214533,0.392561324,-0.172428913,-0.241818757,-0.089648048,-0.184581025,-0.169354681,-0.138409512,-0.194362475
1270,C23 H49 Cl N8 O P,C23 H49 Cl N8 O P,519.3448,10.965996,0.516414564,0.518434085,0.538395817,0.514301068,0.497795063,0.494300965,0.576969678,0.283027158,0.323896362,0.234270915,0.323743984,0.198652842,0.337780792,0.247725473
1271,C38 H58 O12,Hovenidulcioside A2 Esi+14.597965,706.39,14.597965,0.561468727,0.333771399,0.867809926,0.557817937,0.561022813,0.589797089,0.569010897,0.589700205,0.430432461,0.779703831,0.594991519,0.584211688,0.60877876,0.577399558
1272,C23 H45 N13 O15,C23 H45 N13 O15,743.3149,5.263993,2.199612803,2.19199498,2.242118975,2.288949777,2.238027219,2.209481843,2.269858125,3.391502137,3.469892531,3.297983771,3.32479303,3.466640709,3.641492636,3.230324052
1273,C35 H58 O4,(5-D-ribonyl)hopane,541.4183,12.808031,0.115957603,0.153316694,0.027721977,0.147232438,0.01373834,0.046335563,0.091249772,-0.01498044,-0.026586228,-0.001134939,0.016890973,-0.078596056,0.074184766,-0.072468534
1274,C15 H32 N2,Pentolinium,262.2406,10.154029,1.116720257,1.302015673,0.779484009,1.09782164,1.146907804,1.242967307,1.004237534,-0.492537723,-0.583672075,-0.38381604,-0.458555345,-0.534811815,-0.535613081,-0.464765453
1275,C33 H42 O4,Kolanone,502.3143,11.916993,0.786921675,0.607042744,1.068604673,0.781429687,0.780181972,0.83590014,0.787990113,1.000480352,0.828665576,1.205452365,1.046858896,0.916323336,1.017041753,0.989802607
1276,C17 H37 N O2,C17 Sphinganine Esi+9.495012,287.2823,9.495012,1.233648538,1.304416554,1.236170452,1.066226277,1.621191335,1.180682719,1.391426779,-0.431846767,-0.418235198,-0.448085131,-0.389924726,-0.49461665,-0.384466273,-0.462394717
1277,C42 H72 O13,Ginsenoside Rg3 Esi+14.149969,784.4971,14.149969,0.040233239,0.211539652,0.288830858,0.026480972,0.000477517,0.006025017,0.002631185,0.058416477,-0.132140804,0.28574797,0.092563063,0.00513078,0.049923697,0.063892086
1278,C30 H51 N5 O6,C-6 NBD-dihydro-Ceramide Esi+12.46198,577.3934,12.46198,0.684566943,0.297752971,1.293285345,0.419302204,1.12391654,0.324926288,1.011214586,0.594307097,0.347021711,0.889314224,0.426804663,0.817308859,0.330926411,0.764118329
1279,C13 H14 N4 O,Diphenylcarbazide Esi+9.517005,242.1154,9.517005,0.113589752,0.249167973,0.208123363,0.165364299,0.099306282,0.155579238,0.023490691,-0.050886539,-0.135847315,0.050470177,-0.112276216,0.03378537,-0.071525671,-0.037579729
1280,<none>,<none> Esi+12.458007,440.824,12.458007,0.554862425,0.621875924,0.336665984,0.678953347,0.36287687,0.469730252,0.484255573,-0.181722602,-0.219039993,-0.13720361,-0.163526355,-0.221057727,-0.120376094,-0.221274957
1281,C17 H28 O2 S,S-Farnesyl Thioacetic Acid Esi+4.9119906,296.1826,4.9119906,0.151544382,0.245140681,0.063504203,0.042929576,0.171021609,0.258570463,0.056364787,-0.110998254,-0.142740645,-0.073130139,0.032418069,-0.220293812,-0.149725673,-0.08602926
1282,C30 H65 N7 O4 P,C30 H65 N7 O4 P,618.4795,16.37402,0.794376402,0.808971386,0.648122125,0.716247324,0.761121191,0.706598992,0.719279177,-0.584230655,-0.706739939,-0.438079229,-0.507098876,-0.693485329,-0.56982333,-0.593519588
1283,C16 H26 N6 O2,C16 H26 N6 O2,334.2115,11.095969,0.064256558,0.008675397,0.082391342,0.125890849,0.205226497,0.159233116,0.194761474,-0.013231858,-0.011197991,-0.015658227,0.029801281,-0.077184439,0.030824137,-0.041636382
1284,C11 H16 N6 O4,2-Methylaminoadenosine,296.124,8.600984,1.14974541,1.265463058,0.816017712,1.143149271,0.983927377,0.960960571,1.163477569,-1.130973073,-1.296718281,-0.933241947,-1.170643883,-1.051300769,-1.146152762,-1.121186167
1285,C36 H56 O8,phorbol 13-acetate 12-myristate Esi+7.525017,638.3844,7.525017,0.494443924,0.722168366,0.071542138,0.471282147,0.295258497,0.682778025,0.278065886,0.174841584,0.319901471,0.001787684,0.213762892,0.09832205,0.318650103,0.082122934
1286,C30 H47 N O4 S,Retapamulin,517.3192,11.461013,0.261647331,0.592091793,0.29507394,0.143227485,0.212778348,0.281911468,0.154164943,-0.209145644,-0.56260595,0.2125263,-0.136083814,-0.26209051,-0.229239642,-0.196190303
1287,C23 H32 N4 O4,Nummularine F Esi+12.054995,450.2229,12.054995,1.286653872,1.026804624,1.3852587,1.232174785,1.023606232,1.112597539,1.256972421,0.963138268,0.832129376,1.119429578,0.99859816,0.886081276,0.926126748,0.987000958
1288,C25 H26 O5,Albanin D Esi+4.8709846,406.1812,4.8709846,0.155742523,0.085495959,0.075687928,0.087736937,0.184113503,0.133027647,0.075406503,0.169465512,0.25581973,0.066446445,0.133179396,0.222475239,0.139263964,0.188937563
1289,C15 H24 O5,Dihydroartemisinin,284.1629,10.027005,0.708229952,0.795146303,0.43705244,0.718687285,0.562071062,0.586136459,0.7005271,-0.520763491,-0.647810887,-0.369198177,-0.474955116,-0.547370316,-0.484421101,-0.544194769
1290,C27 H8 N4 O17 P,C27 H8 N4 O17 P,690.9619,13.420969,1.374257586,1.338770098,1.524181019,1.344988502,1.463284964,1.370452983,1.477384997,0.716518352,0.723217848,0.708525971,0.71793708,0.700689907,0.73180501,0.706662481
1291,C23 H40 O6,3-methoxy Limaprost,412.281,14.000981,0.212673339,0.131150484,0.371949884,0.238004553,0.205928673,0.4608491,0.095695044,0.16216965,0.140769157,0.187700062,0.19110678,0.11729241,0.283089346,0.084208266
1292,<none>,<none> Esi+11.120028,450.7973,11.120028,1.555138876,1.590525995,1.563489095,1.561341346,1.524040808,1.610502905,1.57505396,0.828736588,0.889598447,0.756129458,0.85545307,0.762970549,0.898742845,0.783600974
1293,C9 H20 O4,C9 H20 O4 Esi+4.872995,192.1358,4.872995,0.13000774,0.007637022,0.299173526,0.00953807,0.266725423,0.137571516,0.325322955,0.158775323,-0.09988406,0.467351429,-0.024294017,0.441229707,-0.219607685,0.402732789
1294,C25 H26 O3,Maximaflavanone A,374.1882,5.3170075,0.843873774,0.939321002,0.626320989,0.683256728,0.981953846,0.58269705,0.901112382,0.757393442,0.812387256,0.691786786,0.674542221,0.904471914,0.585942677,0.867934066
1295,C32 H54 N3 O9,C32 H54 N3 O9 Esi+13.456036,624.3852,13.456036,0.781461684,0.527951898,1.08467629,0.612555426,0.932983594,0.593509574,0.929587325,0.900941444,0.659551944,1.188914882,0.779322388,1.057710607,0.710378308,1.023804518
1296,C26 H40 N7 O4,C26 H40 N7 O4,514.3285,11.885988,0.394682156,0.225083595,0.624874919,0.351716015,0.413854937,0.019847464,0.588716106,-0.432318421,-0.274205455,-0.620944415,-0.42890478,-0.458931067,-0.097744251,-0.648030714
1297,C11 H20 N2 O3,L-isoleucyl-L-proline Esi+1.0500019,228.147,1.0500019,0.954221763,0.911847852,0.964238463,1.030294172,0.735698089,1.117683982,0.744141936,0.639664682,0.712551063,0.552712508,0.739114002,0.506553081,0.766906881,0.557626949
1298,<none>,<none> Esi+13.895997,769.0405,13.895997,0.078200102,0.199435346,0.333308481,0.053741822,0.106989347,0.115545972,0.036891039,0.023118897,-0.04724027,0.107056148,0.032941744,-0.007100841,0.076222287,-0.011118815
1299,C29 H51 N20,C29 H51 N20,679.4549,12.558029,0.603198564,0.624730477,0.498451906,0.606242931,0.462090385,0.717390929,0.488871725,0.427526384,0.442271715,0.409935462,0.450422019,0.382665151,0.531695701,0.360364587
1300,C11 H21 N O4,N(alpha)-t-Butoxycarbonyl-L-leucine Esi+5.130004,231.147,5.130004,0.509468893,0.320324088,0.609662407,0.241544338,0.680351439,0.396934317,0.546296574,0.555516426,0.437127061,0.696752862,0.428886971,0.727977101,0.553557624,0.556779338
1301,C6 H6 N6 O2,Temozolomide Esi+4.0460076,194.0555,4.0460076,0.576059934,0.415692057,0.624020697,0.188284325,0.858231448,0.496386814,0.578373355,0.553853147,0.458908438,0.66712052,0.319461518,0.849970075,0.574586479,0.540485604
1302,C37 H52 O7,Avenestergenin A2,608.374,7.9360113,0.195238921,0.148657137,0.245819894,0.351869543,0.064757154,0.383700088,0.044879644,-0.166043186,-0.088796557,-0.258197059,-0.273624369,-0.04434472,-0.242001323,-0.117070177
1303,C27 H44 N3 O8,C27 H44 N3 O8,538.3115,12.383036,0.410900998,0.216207425,0.609379918,0.351202961,0.412945394,0.352530238,0.420285885,0.536721435,0.364570925,0.742093975,0.565790704,0.496208011,0.515465238,0.550426089
1304,C21 H28 F N O,XLR11,329.219,6.389007,0.120318109,0.22384311,0.155803631,0.407975991,0.076218477,0.349938912,0.068852098,-0.11501563,-0.056765573,-0.184506927,-0.188695369,0.016791773,-0.141346093,-0.098039411
1305,C8 H10 O,2-Phenylethanol,122.0732,4.8369956,0.365693577,0.27048274,0.557002713,0.125132563,0.61784611,0.466910729,0.318383196,0.403852522,0.280963129,0.550457412,0.315981364,0.504469798,0.540001817,0.316072056
1306,C24 H30 O6,Clausarinol Esi+11.5490055,414.2042,11.5490055,0.36565405,0.473119507,0.039191138,0.086978141,0.525999417,0.212158188,0.301177941,-0.091020048,-0.180925053,0.016235045,0.009446918,-0.243750261,-0.088659331,-0.09254209
1307,C31 H65 N O6 P S,Heptanoyl thio-PC,609.4184,11.293967,0.241240152,0.304883223,0.145738908,0.090926566,0.375112358,0.225974163,0.282089514,0.13606152,0.220433995,0.035406638,0.098775133,0.160763275,0.151930845,0.125829982
1308,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+10.058009,314.2083,10.058009,0.380005374,0.165682353,0.59232606,0.217015437,0.488502691,0.263301949,0.426272637,0.33513908,0.150809226,0.555041361,0.249633319,0.459338197,0.231503229,0.401956931
1309,C40 H70 N O9 P,"PS(P-16:0/18:4(6Z,9Z,12Z,15Z))",738.4732,10.673008,1.004525859,1.028750384,0.948957333,1.03121393,0.839957256,1.115244794,0.929446598,0.528924155,0.591483846,0.45429154,0.581211006,0.423647149,0.647793835,0.452284492
1310,C33 H36 N4 O6,(3Z)-Phytochromobilin,584.2646,8.56701,0.132571767,0.142822451,0.048002361,0.019112252,0.228399112,0.103526338,0.144341634,0.552233264,0.582814634,0.515750225,0.598796867,0.567125115,0.710712866,0.450055626
1311,C21 H29 N5 O6,Trp Asp Lys Esi+13.022968,464.2388,13.022968,1.739462786,1.46193364,1.982599423,1.669004169,1.835433909,1.595217109,1.817576508,1.857096013,1.656966089,2.095847502,1.749827475,2.025856536,1.634591341,2.000552973
1312,C26 H4 N O17 P,C26 H4 N O17 P,632.9203,12.819018,1.052097685,1.047398508,1.013585303,1.075514067,0.916999535,0.979714772,1.050266304,0.610691084,0.620733531,0.598710621,0.673839471,0.50873222,0.591612601,0.622991684
1313,C21 H28 N2 O,C21 H28 N2 O,324.2242,13.132018,1.078387607,1.079070252,0.964494595,0.933436742,1.072831892,1.159818946,1.010190778,1.078282241,1.105388116,1.045945407,1.025244391,1.123366143,1.18787396,1.007624422
1314,C27 H45 N O4,N-stearoyl tyrosine,447.334,12.049008,0.856814092,0.93166205,0.435883473,0.65640264,0.96031136,0.727665653,0.77612241,-0.60182853,-0.797729662,-0.368121916,-0.503965461,-0.72730483,-0.645669956,-0.573562347
1315,C28 H41 N2 O8,C28 H41 N2 O8,533.2868,12.570008,1.826228549,1.577052417,2.158458624,1.681069231,2.058384192,1.67067013,1.979987226,2.50761401,2.233351944,2.834803843,2.386257419,2.672316842,2.294100798,2.645273844
1316,C36 H70 N O9 P,PS(P-18:0/12:0),691.4708,8.078986,0.733934604,0.781990563,0.621805579,0.877609769,0.403955472,1.074790469,0.469567203,-0.800730885,-0.798812046,-0.803020026,-0.965375615,-0.555133351,-0.982159207,-0.683757362
1317,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.155023,511.327,9.155023,0.739695043,0.734024259,0.683718578,0.759585667,0.491474786,0.506623417,0.778153527,-0.575307783,-0.686630916,-0.442501239,-0.772812125,-0.319161697,-0.604197078,-0.556681791
1318,C37 H62 O12,Cyclopassifloside X Esi+14.74803,720.4057,14.74803,0.9190632,0.746434459,1.040739279,0.939251853,0.809434613,0.956677275,0.84426818,0.645267832,0.578990542,0.724335475,0.679253169,0.597486176,0.721297044,0.596248997
1319,C25 H42 O6,"3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol Esi+13.17897",438.2926,13.17897,0.265324605,0.338752128,0.006935911,0.388243722,0.034504972,0.343528609,0.065963665,-0.031019275,-0.083583783,0.031689261,-0.018713973,-0.066501976,-0.058626676,-0.013219766
1320,C37 H60 O9,Goyaglycoside a,648.4266,12.250981,1.468788142,1.361550783,1.567879053,1.416944448,1.438417193,1.41074554,1.499283372,0.805439547,0.815745405,0.793144838,0.817712738,0.765547294,0.833036777,0.787646595
1321,C35 H54 O8,Ganoderic acid Mg,619.4132,7.083007,0.478723145,0.332636655,0.72230891,0.581876952,0.395876074,0.305858949,0.569514823,-0.251674573,-0.142655621,-0.38173227,-0.244621927,-0.280770991,-0.123746671,-0.334154404
1322,C29 H46 N O4,Cervonyl carnitine,471.3399,7.719979,0.749758534,0.613273247,0.961464297,0.840940493,0.614219799,0.597563852,0.785318414,-0.405637282,-0.304717745,-0.526032519,-0.388322616,-0.452005647,-0.27543592,-0.489582897
1323,C18 H39 N O,Spisulosine,285.3023,12.498029,0.800446237,0.876925426,0.569236675,0.751855126,0.741659064,0.698783876,0.763078011,-0.381442174,-0.465380914,-0.28130473,-0.294278446,-0.489450982,-0.323787484,-0.418614277
1324,<none>,<none> Esi+4.629015,331.3161,4.629015,0.741655547,0.820785266,0.541987869,0.743242135,0.78055528,0.663252784,0.826369064,0.336069141,0.433944618,0.219305415,0.318576115,0.364755291,0.31057735,0.352504638
1325,C42 H63 N O4 S,C42 H63 N O4 S,677.4477,12.643006,1.558336491,1.705436314,1.448991004,1.403981785,1.780414634,1.620761547,1.59015876,0.922275104,1.017820818,0.808290744,0.882395983,0.95232051,0.982893903,0.883191931
1326,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+15.238025",462.3676,15.238025,0.896800249,0.971993473,0.71191679,0.809054747,0.916707159,0.804918831,0.8592197,-0.445363013,-0.556861902,-0.312346795,-0.361651846,-0.572149798,-0.408857531,-0.468899442
1327,C28 H44 N4 O4,Frangulanine,500.3341,13.91998,1.10800139,1.244007863,0.88795928,1.190088582,1.038674101,1.242419315,0.955059488,-0.7000591,-0.835710122,-0.53822981,-0.596204315,-0.849434091,-0.714038026,-0.691046371
1328,C17 H3 O21 P,C17 H3 O21 P,573.8887,13.47198,1.648425092,1.736230446,1.763902423,1.694314846,1.775071317,1.772952656,1.750421221,0.822564499,0.873013982,0.76237915,0.835655801,0.790174959,0.85952298,0.798736004
1329,C35 H64 O9,Annohexocin,645.4805,9.545007,0.030420996,0.091093371,0.144681283,0.025568549,0.022472994,0.161401364,0.002841319,0.102005214,0.003061044,0.220043873,0.147005501,0.019214803,0.235512724,0.015928004
1330,C26 H46 N6 O3,C26 H46 N6 O3,490.3619,14.866961,1.30805282,1.441201436,1.040735957,1.308801027,1.252805327,1.306563339,1.26522584,-0.984407044,-1.233401127,-0.68736147,-0.973893777,-1.01391039,-0.992258836,-0.979344704
1331,C21 H42 N6 O9,C21 H42 N6 O9,522.3006,6.4040155,0.462284441,0.686289443,0.040196299,0.466244888,0.244983627,0.680391979,0.220115749,0.162741864,0.312247366,-0.015615577,0.206884154,0.080309339,0.326721916,0.057017883
1332,C32 H2 O14 P,C32 H2 O14 P,640.9176,11.741965,1.411300487,1.386093926,1.461254307,1.416906307,1.329042483,1.43661866,1.434578873,0.744276069,0.786752532,0.693602394,0.7758089,0.672402293,0.807429539,0.7035587
1333,C17 H37 N O3,C17 H37 N O3,303.2772,10.211993,1.736442392,1.973822839,1.408633196,1.851497695,1.65843596,2.033600025,1.578889769,-0.91880889,-1.071149059,-0.737069741,-0.960996249,-0.846061054,-1.013439969,-0.857796747
1334,C51 H91 N O17,C51 H91 N O17,989.6285,14.46404,1.886746511,1.917668337,1.695800786,1.863952758,1.82162866,1.90209044,1.832085593,-1.750828701,-1.895286777,-1.578492751,-1.706523441,-1.816258161,-1.801562007,-1.71811907
1335,C43 H69 O8 P,"PA(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",744.4722,13.750981,0.440633568,0.589000409,0.081288708,0.377679401,0.435495961,0.405710679,0.390450747,-0.29049031,-0.497741412,-0.04324338,-0.194859072,-0.441051035,-0.28361958,-0.294920122
1336,C29 H63 Cl N2 O4 P,C29 H63 Cl N2 O4 P,569.4133,13.422045,0.442110523,0.684056322,0.033818382,0.604998125,0.223562753,0.509087327,0.296065536,-0.128071992,-0.237118724,0.002018846,-0.133282381,-0.133211671,-0.124255524,-0.13053261
1337,C31 H50 O P,C31 H50 O P Esi+11.135008,469.3614,11.135008,0.252094435,0.240791481,0.162664877,0.265717391,0.172053828,0.064216918,0.257592905,-0.095715914,-0.083537313,-0.110244772,-0.055424843,-0.17871425,0.017648531,-0.168806148
1338,C32 H52 O9,Tokoronin,597.3943,11.862039,1.500305834,1.458136334,1.504992665,1.562992334,1.350843378,1.534283434,1.428848633,0.956564566,1.000546496,0.904094895,1.006854369,0.869685121,1.011533062,0.921124351
1339,<none>,<none> Esi+12.92897 :1,469.8448,12.92897,0.40849795,0.516038153,0.127764001,0.551267233,0.180362508,0.365447343,0.293182582,-0.121094891,-0.161994688,-0.072302151,-0.113578066,-0.142864244,-0.075002444,-0.15081239
1340,C12 H24 N O4,pivaloylcarnitine Esi+4.4739995,245.1623,4.4739995,0.257208373,0.745108557,0.263018704,0.413388664,0.179344288,0.279682775,0.32182863,0.195601736,0.504105711,-0.172438093,0.334614007,0.017677453,0.288862425,0.135473134
1341,<none>,<none> Esi+12.31299,785.0353,12.31299,0.262076289,0.170492552,0.447360268,0.221793559,0.373268353,0.395731173,0.208202508,0.186587842,0.160455405,0.217763381,0.197452669,0.147904352,0.26858703,0.133719944
1342,C23 H42 N17 O11,C23 H42 N17 O11,732.3241,5.2639956,2.182848879,2.105467305,2.200673515,2.214653135,2.187062102,2.061054963,2.241863234,3.348759934,3.367593068,3.326292335,3.261139412,3.450098589,3.420697391,3.302379205
1343,C16 H32 O4,"9,10-dihydroxy-hexadecanoic acid",288.2296,10.90097,1.11303408,1.013098552,1.381772792,1.024565266,1.274108924,1.011424989,1.238111688,0.433048855,0.383597296,0.492043697,0.410716842,0.47040917,0.34910551,0.487170222
1344,C42 H74 N O8 P,"PE(22:4(7Z,10Z,13Z,16Z)/15:1(9Z))",768.5383,13.895997,0.494304817,0.586167009,0.131754029,0.512746943,0.277970935,0.279114173,0.455454518,-0.172347302,-0.249828951,-0.079913055,-0.153547327,-0.213298697,-0.091351946,-0.224567993
1345,C28 H53 O9 P,"PG(22:2(13Z,16Z)/0:0)",564.3482,7.8199778,0.330071418,0.321521978,0.409415855,0.314057139,0.247125704,0.282823278,0.335364868,-0.250781606,-0.204117759,-0.306450758,-0.287889388,-0.217603123,-0.217749607,-0.272078553
1346,<none>,<none> Esi+11.063982,472.8105,11.063982,1.557674571,1.557664328,1.572263335,1.527943173,1.540125958,1.566557407,1.565569649,0.825689373,0.866372166,0.777155513,0.832370292,0.787611533,0.869304776,0.797568915
1347,C34 H66 N O8 P,PE(17:1(9Z)/12:0),646.4395,13.158994,1.563594004,1.42680205,1.597748598,1.605435106,1.331754283,1.521667498,1.498981418,1.090359137,1.048454063,1.140351155,1.159887191,0.977577443,1.158881443,1.046180282
1348,C39 H62 O13,Melongoside F Esi+13.376971,738.4165,13.376971,0.701811246,0.690694722,0.821194057,0.904022733,0.537525544,0.982003304,0.568496983,0.937364537,0.841686293,1.051507004,1.088935843,0.681886265,1.078036883,0.846667893
1349,C34 H59 Cl N5,C34 H59 Cl N5,572.4419,16.253963,1.328330364,1.464643957,1.123487816,1.392726619,1.288091532,1.311757075,1.317057626,-0.842392384,-1.032535849,-0.615554566,-0.805255409,-0.900126719,-0.82563594,-0.853195881
1350,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+13.365981",593.4238,13.365981,0.411072867,0.543188037,0.118163091,0.579851867,0.171553526,0.42218128,0.284794014,-0.115095015,-0.167765646,-0.052259877,-0.108762412,-0.135237542,-0.077945059,-0.13904696
1351,C34 H65 O7 P,PA(P-16:0/15:1(9Z)) Esi+13.293963,615.4375,13.293963,0.581532976,0.680558959,0.292111539,0.721509177,0.328408909,0.606871833,0.428043609,-0.196889389,-0.239701034,-0.145815847,-0.178601744,-0.233796371,-0.159834156,-0.220780263
1352,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid",278.2241,16.049017,0.857904981,0.873079684,0.650542927,0.766797016,0.772397766,0.753720355,0.778855087,-1.002021673,-1.206716016,-0.757824912,-0.962454392,-1.067894794,-1.071946049,-0.956938851
1353,C28 H52 O12,"alpha,alpha'-Trehalose 6-palmitate",580.3427,6.972012,0.424656515,0.693738377,0.048191911,0.411556687,0.213039426,0.650490914,0.17413769,0.142222666,0.304629877,-0.051526288,0.184223187,0.062793073,0.306521627,0.036293073
1354,C29 H63 N P S2,C29 H63 N P S2 Esi+16.241959,520.4125,16.241959,1.4403917,1.455676088,1.229482373,1.410223798,1.273105945,1.353472538,1.344678837,-1.146856695,-1.269792479,-1.000196462,-1.107621538,-1.185460017,-1.081797648,-1.18880266
1355,C18 O20 S,C18 O20 S,567.8705,11.3989935,1.562361139,1.584754251,1.553783338,1.62306558,1.491488093,1.63886512,1.543911381,0.89873688,0.946798963,0.841399658,0.938208305,0.81584828,0.97987484,0.846424247
1356,C44 H76 N2 O13,Spiramycin,840.5411,11.180992,1.044355395,0.994998747,1.107615424,1.052651109,0.909190362,1.14278423,0.98598878,0.601537097,0.63188012,0.565338402,0.657599688,0.490968207,0.727645918,0.520230094
1357,C41 H67 N O15,Leucomycin A4,830.4768,14.268011,0.126233232,0.054807642,0.532542325,0.185366677,0.12907838,0.213550848,0.155401325,0.190626143,0.032662317,0.379074216,0.228915983,0.114221695,0.190314297,0.190827202
1358,C27 H42 N O2,Benzethonium Esi+10.279029,394.2882,10.279029,0.238757364,0.149818591,0.215521103,0.147337685,0.329656554,0.033217151,0.325854589,-0.118024363,-0.073286892,-0.171395381,-0.06694733,-0.214674384,-0.006846172,-0.189705038
1359,C18 H35 N4 O3,C18 H35 N4 O3,355.2713,10.053976,0.08982547,0.209642539,0.042521234,0.209799388,0.114704108,0.051469198,0.045589665,-0.01211999,-0.0579416,0.042544387,-0.048603986,0.050419101,-0.008589353,-0.014396321
1360,C12 H20 N6 O4,C12 H20 N6 O4 Esi+6.287994,312.1549,6.287994,1.737831251,1.547290651,1.773399487,1.487099076,1.867510618,1.555339276,1.76850743,1.604616191,1.556383381,1.662157087,1.484812662,1.751826351,1.625441091,1.591189611
1361,C16 H15 N O25 P,C16 H15 N O25 P,651.9672,13.970965,0.383412692,0.497858756,0.02961218,0.458606712,0.161584154,0.216822208,0.342162995,-0.119506192,-0.182509112,-0.044344814,-0.111435901,-0.14395387,-0.044062002,-0.168147841
1362,C23 H17 Br2 Cl O3 S,CAY10592,565.8941,11.396978,0.112655782,0.250921184,0.136484902,0.295994802,0.125134304,0.085676532,0.043836655,0.011304275,-0.039386551,0.071777542,-0.006742349,0.011943227,0.056914081,-0.018102047
1363,<none>,<none> Esi+6.4680104,468.7715,6.4680104,1.500771356,1.476054055,1.539287687,1.395481513,1.646142758,1.386377253,1.52744387,1.256226252,0.998338355,1.563881987,1.042412851,1.542276712,0.943040922,1.458148372
1364,<none>,<none> Esi+6.5579906,490.7844,6.5579906,1.472124685,1.478707084,1.501653737,1.364719977,1.647466744,1.405761882,1.481640514,1.238192468,1.006033667,1.515153844,1.015800412,1.540259506,0.962561036,1.415902206
1365,C38 H62 O9,Goyaglycoside c,662.4423,13.116963,0.710228258,0.843723602,0.716935042,0.6848534,0.721117034,0.818847218,0.695088361,0.346963986,0.404717604,0.278064934,0.353345628,0.325391997,0.401529502,0.311783588
1366,C12 H18 N2 O,Agrocybenine Esi+4.718995,206.1416,4.718995,0.139254599,0.138547586,0.442020181,0.55603223,0.490511144,0.593200732,0.376175346,0.003234177,-0.0559526,0.073842963,0.079343953,-0.102464195,0.122269151,-0.073512057
1367,C36 H66 O6,C36 H66 O6 Esi+16.059032,594.4858,16.059032,1.166015579,1.276077764,0.909016388,1.164668526,1.071057134,1.153267212,1.065424054,-1.262732921,-1.567427038,-0.899238185,-1.216596173,-1.346782263,-1.299678447,-1.23891278
1368,C34 H55 N O3,ICI 164384,525.4237,14.466013,0.993115105,1.137379068,0.591547326,0.958179003,0.873294037,1.069209516,0.837564927,-0.44969773,-0.610209282,-0.258210264,-0.440409818,-0.469179182,-0.510824892,-0.410286797
1369,C33 H47 N5,C33 H47 N5 Esi+11.009016,513.3871,11.009016,0.163384226,0.168183757,0.042428188,0.198312364,0.058054652,0.014118041,0.165230527,-0.059220641,-0.053364679,-0.0662067,-0.031791128,-0.124981147,0.050814965,-0.13016465
1370,C18 H30 O3,"3,4-Dimethyl-5-pentyl-2-furanheptanoic acid Esi+12.899975",294.2184,12.899975,0.614994896,0.767125582,0.381517477,0.567630539,0.603373621,0.671052825,0.567527063,0.545315526,0.578084866,0.506222279,0.595941942,0.426267095,0.549168898,0.542831115
1371,C33 H58 O10,Antibiotic X 14889C Esi+11.243981,631.432,11.243981,0.20049077,0.298381871,0.005887277,0.368605784,0.018360508,0.117899573,0.184513225,-0.038531462,-0.072612285,0.002126362,-0.034558795,-0.068424469,0.046693653,-0.093479233
1372,C18 H49 N14 O6,C18 H49 N14 O6 Esi+12.544986,557.3956,12.544986,0.33058675,0.287611715,0.430329678,0.303841783,0.308502503,0.365803982,0.347148493,0.230847742,0.212608701,0.252606599,0.245246555,0.193518126,0.262134055,0.210676304
1373,C33 H62 O S2,C33 H62 O S2,536.4073,14.732967,1.369159325,1.546760684,1.065162063,1.434509718,1.280486585,1.373327043,1.328092565,-1.140498661,-1.346617647,-0.894602326,-1.093739372,-1.22906967,-1.121656974,-1.15264659
1374,C9 H14 O3,cis-3-Hexenyl pyruvate,170.0935,5.444992,0.224469881,0.357297392,0.028713988,0.261973661,0.206398893,0.148251028,0.203672821,-0.113770417,-0.25088224,0.049801582,-0.101945253,-0.133372818,-0.114903927,-0.113039601
1375,C42 H79 N O13,Lactosylceramide (d18:1/12:0),805.5572,13.416014,0.468540231,0.564791379,0.13731854,0.574584075,0.126805944,0.433223585,0.334477681,-0.158122543,-0.242230884,-0.057782768,-0.181940349,-0.139269003,-0.148814421,-0.164123833
1376,C30 H61 N7 O4 P,C30 H61 N7 O4 P,614.4513,16.245052,0.316671027,0.482099261,0.041014579,0.260054495,0.282830804,0.237284312,0.26637107,-0.129555832,-0.263958569,0.030784276,-0.076131961,-0.216419756,-0.109936987,-0.142204824
1377,C31 H48 O6,Pokeberrygenin,533.368,12.647967,0.385970643,0.502428461,0.124016638,0.485910235,0.166046032,0.401784052,0.271362224,-0.16683432,-0.239961348,-0.07959506,-0.178719324,-0.164734911,-0.188157642,-0.153086389
1378,<none>,<none> Esi+13.014968,821.064,13.014968,0.110862581,0.205590878,0.151421199,0.164332229,0.100073364,0.034487758,0.035287641,0.018164459,-0.029019271,0.074453821,0.030582767,-0.016722077,0.060868338,-0.009368305
1379,C21 H35 N7 O5,Arg Lys Tyr,464.2591,5.8149843,0.539648958,0.802298377,0.118304068,0.605743304,0.275226726,0.777288124,0.303449433,0.195947005,0.358149141,0.002442701,0.264464662,0.082517757,0.373452998,0.081502351
1380,C22 H32 N7 O3,C22 H32 N7 O3,441.3126,10.520997,0.654849596,0.689845692,0.566339952,0.753841941,0.554991475,0.777964395,0.508680641,-0.484465867,-0.529002099,-0.431334924,-0.487849495,-0.503618128,-0.6622177,-0.369862712
1381,C18 H36 N6 O5,Istamycin B3,416.2764,11.527007,0.453791893,0.504702027,0.398460229,0.504831809,0.391135206,0.596550952,0.349567086,0.608863895,0.632418203,0.580764019,0.716757778,0.438094827,0.78045881,0.498230332
1382,C24 H44 O7,C24 H44 O7,444.3165,14.012957,1.248977348,1.054575383,1.675729012,1.295918383,1.290523198,1.315109812,1.308412196,0.668253132,0.587964616,0.764035922,0.665122494,0.658569812,0.697999452,0.649074583
1383,C31 H63 N8 O P,C31 H63 N8 O P Esi+15.745051,590.4518,15.745051,1.273676436,1.391563642,1.073104159,1.282417564,1.186850785,1.263858724,1.214413352,-1.082576921,-1.342482268,-0.772514402,-1.090194976,-1.077723875,-1.171279669,-1.025386992
1384,C25 H4 N6 O19,C25 H4 N6 O19,691.9518,12.141032,1.891946835,1.841996028,1.881588826,1.915626812,1.799658957,1.891531654,1.8920026,1.264283732,1.302353664,1.21886697,1.313735983,1.17021215,1.341010287,1.214815295
1385,C37 H46 O5,Pyrrhoxanthinol,569.3316,12.029032,1.910662094,1.787136237,2.22561257,1.833256034,2.27025017,1.785832083,2.134609055,2.453120873,2.191825669,2.764841468,2.203935868,2.753190125,2.167193348,2.637468883
1386,C36 H60 O7,Ginsenoside Rh3,626.415,12.306966,1.66389426,1.66373737,1.655207755,1.619814355,1.684662032,1.601723094,1.698273749,1.006533073,1.051848971,0.952472001,1.026014789,0.964854473,1.011732286,1.003180948
1387,C33 H67 N8 O9,C33 H67 N8 O9,719.4992,10.059003,0.171670744,0.098765507,0.200729926,0.222025896,0.081217984,0.050034279,0.158742925,-0.121224916,-0.049075956,-0.207297361,-0.115097319,-0.150331978,0.016397939,-0.209955441
1388,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+12.26296",484.3487,12.26296,0.301832933,0.394205166,0.033228,0.422407099,0.093141558,0.215222037,0.217317952,-0.083126386,-0.126851146,-0.030963514,-0.077428318,-0.108161045,-0.02734975,-0.119087638
1389,<none>,<none> Esi+5.8719897,530.8291,5.8719897,0.149035623,0.424568295,0.319727646,0.483398131,0.367008352,0.39386675,0.118738348,0.015867642,0.174137545,-0.172945574,0.15364616,-0.182918231,0.164850485,-0.080187085
1390,C33 H62 O S2,C33 H62 O S2 Esi+14.74603,538.4226,14.74603,1.409063617,1.587285482,1.249822941,1.510950216,1.300190173,1.555542964,1.303382553,-0.9436104,-1.083056136,-0.777254082,-0.948533965,-0.94688127,-0.983700597,-0.917762772
1391,C31 H44 O7,Milbemectin,550.2909,14.537042,1.325989332,1.05354434,1.597852547,1.185528174,1.429280816,1.220398831,1.37056223,1.072422525,0.951771866,1.216356644,1.029380547,1.131787579,1.010834289,1.112130729
1392,C27 H43 N14 O2 P,C27 H43 N14 O2 P,626.3431,13.173022,1.992543861,1.780470444,2.091800601,1.861762577,2.033665888,1.787160099,2.058729368,1.944006073,1.808764623,2.10534675,1.872824523,2.037214587,1.807442911,2.032053374
1393,C17 H36 O6,C17 H36 O6,336.2493,9.433005,0.816406965,0.720318322,0.910144878,0.674504319,0.967988512,0.738959472,0.855848125,-0.764791963,-0.632045384,-0.923156303,-0.668584539,-0.927617115,-0.682437505,-0.817888917
1394,C12 H22 O6,Triethylene glycol diglycidyl ether,262.1411,5.2,1.162504423,1.204189924,1.215872126,1.062494992,1.307402664,1.214255314,1.231938618,1.254393025,1.272333261,1.232990638,1.22141524,1.241644112,1.422448859,1.146041237
1395,C29 H37 N3 O6,Calcimycin,522.2592,14.055977,1.740657993,1.459203978,1.926070188,1.605255572,1.781053076,1.573283306,1.781181837,1.223939845,1.101151461,1.370424233,1.161381944,1.31480061,1.129564894,1.284786854
1396,C34 H63 O8 P,"PA(18:2(9Z,12Z)/13:0)",652.4,8.005987,0.185324966,0.070200943,0.354412244,0.26993576,0.033169187,0.262626049,0.107086208,-0.14585087,-0.04474895,-0.266463687,-0.186951891,-0.106445565,-0.142710638,-0.147875494
1397,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+7.7189946,272.1622,7.7189946,0.713066756,0.831398462,0.447276728,0.556446372,0.775510905,0.61834039,0.71156006,-1.014301673,-1.262538337,-0.718159689,-0.749542774,-1.350937965,-0.866514139,-1.109585741
1398,C26 H42 O4,Hexadecyl ferulate,418.3094,12.587969,0.240431264,0.29114972,0.040131313,0.295358565,0.15204621,0.15733354,0.201909776,-0.082223313,-0.108175588,-0.051262705,-0.086236239,-0.090019281,-0.044837276,-0.106327469
1399,C47 H83 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))",418.7823,8.655022,0.596501897,0.503824158,0.75659315,0.768628326,0.362517771,0.472374214,0.592141109,-0.307610161,-0.230160643,-0.400006078,-0.334129057,-0.291579454,-0.194921224,-0.380264871
1400,C38 H77 N8 O11,C38 H77 N8 O11,821.5698,10.572017,0.279348918,0.23135023,0.355764232,0.203203257,0.330832464,0.350631012,0.245270281,0.152781605,0.155576088,0.149447837,0.154293116,0.121826309,0.236042785,0.099100056
1401,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+4.8199997",214.1186,4.8199997,0.002295403,0.042565932,0.029959309,0.298044977,0.39710915,0.350071203,0.228617707,-0.018290379,-0.147705637,0.136099753,-0.307178303,0.489709864,-0.390929964,0.22196409
1402,C25 H40 N2 O6 S,"14,15-LTD4 Esi+11.200998",496.2637,11.200998,1.370437763,1.328717423,1.475206949,1.388471823,1.377745819,1.589270136,1.299912612,1.630702451,1.569841114,1.70330896,1.71422125,1.47203319,1.850008635,1.489307675
1403,C20 H34 O6,"15(R),19(R)-hydroxy PGF2?",370.2353,13.315979,1.672887085,1.343003364,2.059789747,1.529590836,1.893011241,1.501801968,1.810770757,1.713755208,1.445736911,2.033496335,1.574217305,1.917080522,1.487927708,1.859354518
1404,C27 H30 O16,Luteolin 6-C-glucoside 8-C-arabinoside Esi+15.493958,627.1868,15.493958,1.744197448,1.718259453,1.906482157,1.848543248,1.650058276,1.812522267,1.75012239,1.191143028,1.0792646,1.324612029,1.261789508,1.110398288,1.086998881,1.258288596
1405,C11 H11 N5 O4,"trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole",294.1077,5.0089955,0.743285449,0.81771394,0.644268709,0.748178025,0.713460486,1.208952852,0.499812445,-0.387325957,-0.488097616,-0.267107136,-0.40320495,-0.366300673,-0.606139996,-0.246248484
1406,C18 H20 O5,"(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan",338.1137,9.387967,0.062332687,0.165900767,0.387854192,0.023146564,0.199602383,0.022146856,0.103221952,0.066947503,-0.149817556,0.325544415,-0.039347273,0.239924292,-0.064248991,0.151534716
1407,C12 H20 O5,"Polyethylene, oxidized Esi+5.744996",266.1129,5.744996,0.592881568,0.427812805,0.772419335,0.507418399,0.500963209,0.593572658,0.559848919,0.352718062,0.264269242,0.458235953,0.378365102,0.289240286,0.414504775,0.312881892
1408,C34 H52 O8,25-Hydroxyvitamin D2 25-(beta-glucuronide),605.3976,6.6619897,0.16750139,0.000291894,0.45305761,0.216614494,0.198453535,0.096470137,0.366318523,-0.117458971,0.002304386,-0.260334555,-0.095511069,-0.166046989,0.05024476,-0.225583744
1409,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium,258.1426,5.1710105,0.117052717,0.281759946,0.088732213,0.144208159,0.035094681,0.209083064,0.053219388,0.060585742,0.11580397,-0.005288636,0.107668736,-0.016186993,0.131227649,0.015040302
1410,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+16.879942",280.2393,16.879942,0.848894032,0.848509331,0.639251706,0.818417495,0.723414114,0.756024483,0.776262291,-0.843159125,-1.028713834,-0.621795613,-0.86221724,-0.834503842,-0.818133704,-0.859293936
1411,C43 H77 O12 P,"PI(P-16:0/18:3(9Z,12Z,15Z))",838.5049,14.238023,0.990212309,0.840171111,1.116536492,0.932145469,1.00976526,1.023351346,1.030474334,0.87916607,0.8793375,0.878961556,0.942672314,0.792510859,0.98693842,0.809681265
1412,C18 H34 O5,"9S,10S,11R-trihydroxy-12Z-octadecenoic acid Esi+9.281005",330.2408,9.281005,1.752406152,1.709226777,2.04478561,1.684386315,2.081272651,1.587113123,2.031132274,-1.284925286,-1.141035691,-1.456583049,-1.157637112,-1.48083285,-1.080475433,-1.416741639
1413,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid Esi+16.344975,542.3949,16.344975,0.63020257,0.623939511,0.601534654,0.644513437,0.589787719,0.745168176,0.469137,-0.580839551,-0.664847591,-0.480619433,-0.564604649,-0.608704664,-0.687434485,-0.512113869
1414,C9 H14 N2 O,3-Isopropyl-2-methoxy-5-methylpyrazine,166.1103,0.8780018,0.724116451,0.967911809,0.25875954,0.933761302,0.527599418,1.028706319,0.456281771,-0.324269979,-0.541634061,-0.064958443,-0.409532638,-0.214387425,-0.54904832,-0.179347102
1415,C9 H12 O3,4-Ipomeanol Esi+4.8360076,168.0784,4.8360076,0.492252933,0.326462832,0.64767096,0.216613436,0.666892106,0.43492887,0.464824325,0.485950003,0.326006506,0.676759788,0.387488656,0.625451376,0.527808942,0.458962003
1416,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.998013",214.1204,6.998013,0.726988648,0.670388485,0.663036067,0.826256775,0.597841862,0.543104855,0.727221057,-0.299390013,-0.259135648,-0.347412764,-0.251523972,-0.371612511,-0.168874023,-0.38353848
1417,C49 H86 N2 O17,Megalomicin C2,974.5974,8.713995,0.595185914,0.663053134,0.29962457,0.381874528,0.532144061,0.638898907,0.472427026,0.311944764,0.421980055,0.180674592,0.295220104,0.306039819,0.443078018,0.227398323
1418,C28 H10 N4 O18 P,C28 H10 N4 O18 P,720.9727,12.514971,1.622836578,1.569119886,1.646736274,1.61938468,1.555306154,1.613124748,1.639132137,0.970209984,0.996474457,0.938876928,0.996163604,0.911353217,1.02627221,0.934064601
1419,C27 H51 O12 P,PI(18:1(9Z)/0:0),598.3117,12.439969,2.643386807,2.550628555,2.774512111,2.68656565,2.732860739,2.591281547,2.721582667,4.220370171,4.064109661,4.406786218,4.0620277,4.414530502,4.020669258,4.349124707
1420,C30 H63 N20 O2 P,C30 H63 N20 O2 P,766.5157,13.496024,0.632182722,0.747840386,0.359130026,0.781711162,0.403308565,0.629159985,0.520631704,-0.217596321,-0.282861727,-0.139735837,-0.217028832,-0.232674377,-0.19309119,-0.233395682
1421,C9 H16 O4,Butyl ethyl malonate,188.1049,6.1490097,0.847149376,1.021887753,0.432818923,0.966994712,0.63381677,0.871055529,0.753876821,-0.382076447,-0.54915099,-0.182759448,-0.398770299,-0.351901189,-0.387672843,-0.378468243
1422,C25 H4 N4 O16 P,C25 H4 N4 O16 P,646.9358,13.59797,1.581774978,1.622787659,1.693962892,1.628670319,1.654815659,1.701498527,1.644595145,0.822386036,0.854987312,0.783493286,0.837561993,0.79005394,0.860208402,0.798000564
1423,C10 O16 P S2,C10 O16 P S2,470.8342,11.069007,0.246406698,0.327751383,0.040217485,0.386245117,0.037307111,0.178363515,0.169721499,-0.084606442,-0.114887694,-0.048481439,-0.090517472,-0.099057438,-0.031098175,-0.119105192
1424,C39 H60 O5,"DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",607.4393,14.15997,0.533682177,0.675767649,0.106311405,0.661247225,0.247616337,0.447963846,0.454285098,-0.189964209,-0.283757768,-0.078070139,-0.202121554,-0.186118749,-0.147148921,-0.217568803
1425,C33 H63 O7 P,PA(P-16:0/14:1(9Z)) Esi+12.395997,601.4212,12.395997,0.30663453,0.397843272,0.04183583,0.443372793,0.071889281,0.276674862,0.209936212,-0.068312556,-0.114218269,-0.013547845,-0.058989599,-0.096841299,-0.026704523,-0.095138787
1426,C31 H34 N2 O3 S2,C31 H34 N2 O3 S2,546.2007,14.927001,0.950300765,1.224424297,0.492573995,1.118647305,0.646832354,1.066458193,0.827743245,-1.05624053,-1.40308966,-0.642455603,-1.187531422,-0.869384055,-1.257476523,-0.926496271
1427,C42 H74 O14,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid Esi+13.979003,824.4898,13.979003,0.869449317,0.587765655,1.332391891,0.878467367,0.930007087,0.83035736,0.941811693,0.895794606,0.674349747,1.159974437,0.878727053,0.910012155,0.784511234,0.967543096
1428,C27 H42 N O2,Benzethonium Esi+10.364012,394.2925,10.364012,0.412876641,0.406122878,0.441942457,0.508660245,0.246910664,0.479025979,0.408227898,0.27701481,0.343249218,0.197998323,0.357587709,0.132541255,0.382804626,0.208808218
1429,C12 H22 O5,Dibutyl malate Esi+7.364992,246.1471,7.364992,0.183523482,0.315584771,0.102574544,0.2191202,0.059222824,0.191530104,0.027292759,-0.313622418,-0.625264113,0.058160656,-0.493729012,-0.04687942,-0.352989853,-0.288240783
1430,<none>,<none> Esi+13.353023,828.0718,13.353023,0.114333641,0.244282996,0.25087076,0.165696073,0.146137218,0.053560016,0.024449638,0.021886729,-0.051145418,0.109012799,0.020291426,0.009024117,0.043926332,0.007676985
1431,C25 H50 N O4,(R)-Stearoylcarnitine Esi+13.156005,427.3654,13.156005,1.881448451,2.001902696,1.725737717,1.881489731,1.929462609,1.925469123,1.875895268,-1.84703708,-2.007949008,-1.655071973,-1.924351577,-1.752499297,-1.940525687,-1.78676153
1432,C45 H80 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/17:0)",842.571,12.961977,0.461964532,0.499448223,0.22781016,0.516506186,0.178020732,0.307021579,0.411996279,-0.15248688,-0.214688713,-0.078281184,-0.153901159,-0.170014726,-0.097948348,-0.187649881
1433,C29 H44 O10,Desglucocheirotoxol Esi+12.888984,552.2888,12.888984,0.635353782,0.713788517,0.457310819,0.595287839,0.641422046,0.527837717,0.65791895,-0.856674254,-1.10165113,-0.564421139,-0.744724914,-0.968132162,-0.801502594,-0.892245456
1434,C11 H22 N2 O8,Mannopine,310.1396,9.317,1.194687585,1.248533183,0.946861623,1.13184413,1.118785031,0.952598622,1.210674518,-1.1172273,-1.294211785,-0.906087913,-1.121639189,-1.098186443,-1.087980327,-1.1360839
1435,C28 H50 O10,3-O-Mycarosylerythronolide B,546.3421,12.004968,1.884005607,1.626488747,2.252103429,1.806578496,2.095253798,1.750314696,2.012625659,2.744939001,2.32355172,3.247646635,2.572020819,2.958974618,2.516212141,2.892407635
1436,C10 H16 O4,"2,6R-Dimethyl-2E-octen-1,8-dioic acid",200.1044,5.655018,0.010803237,0.101506933,0.126539805,0.091174892,0.04165758,0.163695394,0.067442523,0.06459855,0.00286266,0.138248384,0.091292028,0.025000697,0.166357086,-0.001008927
1437,C24 H40 O8,C24 H40 O8 Esi+13.458007,456.2723,13.458007,0.364844659,0.07875036,0.606456233,0.241746036,0.430556776,0.199692132,0.405804585,0.255628136,0.066132365,0.481693267,0.167724897,0.37656893,0.128020791,0.337901293
1438,C30 H50 O5,Cycloastragenol Esi+15.149965 :1,490.3632,15.149965,1.477912086,1.690436105,1.158384783,1.654106159,1.305186596,1.528311114,1.400002092,-1.072035849,-1.312935151,-0.784647209,-1.009831853,-1.179860844,-1.010760424,-1.111542374
1439,C27 H56 N O7 P,PE(22:0/0:0),536.3717,10.92301,0.158684946,0.206006012,0.026299906,0.28483416,0.053366156,0.083012555,0.088269116,-0.034576331,-0.052447095,-0.013256823,-0.049608904,-0.036787678,0.03006674,-0.076254101
1440,C13 H26 N6 O4,Gly Val Arg,330.2035,11.419994,0.06141477,0.185880805,0.096823738,0.038459301,0.053547943,0.030427271,0.092173099,0.026023374,-0.125268172,0.206511535,0.115448895,-0.077680285,0.074746272,-0.005390073
1441,C42 H83 O8 P,PA(21:0/18:0) Esi+15.6389675,746.5854,15.6389675,1.945158169,2.040193255,1.887487816,2.058453959,1.935504531,2.224732641,1.813925591,-0.967262837,-0.993095849,-0.936444506,-0.932922041,-1.005106009,-1.018255631,-0.934385903
1442,C23 H40 O8,2-glyceryl-6-keto-PGF1? Esi+11.343995,444.2717,11.343995,0.96656891,0.657771535,1.166902416,0.673516336,1.1336759,0.70744167,1.063195533,1.888041808,1.409665844,2.45873594,1.482632425,2.404462277,1.592466066,2.078610378
1443,C30 H54 O5,C30 H54 O5,494.3971,15.272965,1.744449339,1.852029023,1.550517754,1.811092609,1.641183601,1.755601666,1.743865251,-1.183248765,-1.357783114,-0.97503235,-1.169646445,-1.21296082,-1.119953871,-1.224057316
1444,C42 H74 N O9 P,"PS(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+12.310038",767.5054,12.310038,0.202530622,0.195122187,0.017721906,0.325916867,0.130268813,0.181972891,0.166692083,-0.077117651,-0.149818654,0.009613371,-0.153899361,-0.003957795,-0.116422078,-0.051776639
1445,<none>,<none> Esi+5.1229897,602.7834,5.1229897,2.379349656,2.362432045,2.263559485,2.398330061,2.362828214,2.268863774,2.396604566,3.532798658,3.622867808,3.425347742,3.421394046,3.677454133,3.51921188,3.541558555
1446,C27 H43 N11 O6 P,C27 H43 N11 O6 P,648.3081,10.027984,1.237281791,1.428062823,0.834026403,1.211891864,1.17084568,1.073843547,1.325384115,-2.915731239,-3.44991654,-2.278457547,-2.88044641,-2.950659864,-2.977499142,-2.875907196
1447,C22 H23 N8 O24 P,C22 H23 N8 O24 P,814.0564,12.659977,0.1024331,0.014623175,0.349947351,0.035283299,0.288488481,0.150327583,0.174030803,0.125628728,0.086934909,0.171789775,0.13699165,0.08919371,0.170055901,0.096984893
1448,C20 H31 F O3,"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one Esi+6.2430096",338.2304,6.2430096,0.525981546,0.341037197,0.730068926,0.532012991,0.453070799,0.388973859,0.500509236,-0.238583767,-0.143797778,-0.351661789,-0.184032805,-0.334254943,-0.132885889,-0.306731083
1449,C35 H54 O10,Pandaroside B,656.3578,5.829991,1.137819053,1.039676711,1.23614445,1.154145213,1.252099539,1.300552568,0.993402174,0.75672542,0.653365195,0.880032355,0.633163675,0.930382223,0.728193809,0.775120801
1450,C8 H18 N O2,Methacholine,159.1259,0.79499847,0.257227768,0.536475927,0.127147836,0.461689775,0.06257883,0.419046179,0.087809999,-0.144361099,-0.273375128,0.009550374,-0.203706869,-0.055084769,-0.223777787,-0.093158234
1451,C32 H63 N2 O7 P,"PE-Cer(d14:2(4E,6E)/16:0(2OH))",617.4341,8.488014,0.901314268,0.857384444,0.945811914,1.103143216,0.596379133,0.955412405,0.768526669,-0.509694331,-0.445315283,-0.586497407,-0.564660123,-0.448364665,-0.444360885,-0.551817211
1452,C28 H34 O7,1 (2)?-Epoxydeoxydihydrogedunin,482.2267,11.327971,0.562581566,0.584895513,0.394994199,0.487316772,0.489426634,0.332279249,0.557778603,-0.569684778,-0.701735007,-0.412151171,-0.459654559,-0.730313668,-0.41812309,-0.667402182
1453,<none>,<none> Esi+6.178988,383.7294,6.178988,1.116665445,0.94009723,1.311510667,0.941579141,1.376454382,1.014435033,1.141025564,0.887899814,0.590448314,1.242754235,0.633465753,1.243072464,0.616397359,1.062947449
1454,C31 H48 O6,Pokeberrygenin Esi+12.729003,516.3482,12.729003,1.701380131,1.730971155,1.676852886,1.594614995,1.773985817,1.752836663,1.712019696,0.901342082,0.972316064,0.816671367,0.881967092,0.904859197,0.973472536,0.854836921
1455,C29 H38 N4 O10,Lymecycline,602.2612,6.3499856,1.512551354,1.402367045,1.427803228,1.433915108,1.422400999,1.196754789,1.571820516,-1.891062135,-1.834681479,-1.958323268,-1.739485615,-2.094169487,-1.67555458,-2.030007795
1456,C22 H42 O3,4-oxo-docosanoic acid,371.3411,12.611019,0.38221368,0.793780611,0.216790996,0.437160248,0.167578976,0.457827243,0.259535994,-0.098219829,-0.449149833,0.320433509,-0.169721776,-0.003459485,-0.240835671,-0.006270142
1457,C17 H43 N12 O10,C17 H43 N12 O10,574.3889,13.547046,0.1792674,0.322370456,0.009914831,0.341625338,0.048046572,0.370848069,0.099758467,0.224497659,0.362649863,0.059684502,0.408375161,-0.051616007,0.414852473,0.101768897
1458,C34 H56 O12,C34 H56 O12,656.378,14.166993,0.538996964,0.277845449,0.886432231,0.515824366,0.549292319,0.450544375,0.57748388,0.480268465,0.293442537,0.703148519,0.462626357,0.503240041,0.385399345,0.541434081
1459,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.461017",441.3288,9.461017,0.197482259,0.258258411,0.046105516,0.132559321,0.20643524,0.056269639,0.268895894,-0.157977384,-0.197891219,-0.110360878,-0.019570938,-0.315469661,0.007427156,-0.264619784
1460,C20 H32 O5,?-12-PGD2 Esi+8.525996,352.2219,8.525996,0.648039282,0.879929013,0.341573074,0.726789817,0.459267526,0.753396191,0.549256734,-0.598231435,-0.68012204,-0.500537379,-0.730015274,-0.427600146,-0.499133968,-0.662123222
1461,C53 H93 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/22:1(11Z))",985.6592,13.336975,0.830329457,0.734453685,0.981364379,0.804541634,0.767928951,0.96636111,0.766494397,0.551133237,0.526064576,0.58103971,0.583340757,0.480886688,0.670073408,0.474448127
1462,C19 H30 N6 O7,C19 H30 N6 O7 Esi+8.901,454.2179,8.901,0.60681669,0.729948102,0.361175774,0.650573311,0.587467524,0.462989427,0.672871578,-1.345382942,-1.757431398,-0.853816364,-1.314154547,-1.316502419,-1.171493765,-1.457495702
1463,C25 H40 O4,"Androstane-3,17-diol dipropionate",404.2931,11.232001,0.515466447,0.524053804,0.437638877,0.635921087,0.361628639,0.316104103,0.556142594,-0.182098006,-0.171931617,-0.194226329,-0.164666576,-0.229847915,-0.063097511,-0.258822009
1464,C31 H68 N21 O3 P,C31 H68 N21 O3 P,813.5545,12.662031,0.303781353,0.37121286,0.047647542,0.382832515,0.021197828,0.193631107,0.242422533,-0.08182529,-0.146822579,-0.004284665,-0.090684929,-0.088332552,-0.042378447,-0.107258123
1465,C33 H58 O6,Cholestanyl glucoside Esi+11.958986,572.4022,11.958986,0.974786542,1.021662463,0.739913062,0.796459118,0.944011273,0.857790189,0.965677411,1.411431818,1.664590366,1.109418111,1.356227136,1.458530714,1.470290129,1.373483696
1466,C31 H54 O5,(20S)-24-Hydroxy-19-norgeminivitamin D3,528.3751,12.120035,0.441237839,0.49727644,0.52077094,0.394853636,0.610830264,0.679380747,0.374617222,0.407405819,0.396744078,0.420125089,0.339616576,0.477850475,0.510410104,0.340995162
1467,C25 H44 N O7 P,"LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)",501.2857,12.035971,0.082775547,0.079102094,0.458783643,0.225307812,0.078466878,0.069910012,0.218966468,0.077255551,-0.011458969,0.183090416,0.122096666,0.02638213,0.04506652,0.098009004
1468,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+8.551019,170.094,8.551019,0.055317793,0.25797647,0.166106919,0.213612241,0.126038424,0.202088167,0.059120092,-0.095656,-0.252005794,0.090866561,-0.249815531,0.11518055,-0.267866342,0.015374352
1469,C31 H63 N O8 P,PC(9:0/14:0)[U],608.4293,12.883038,0.28423252,0.377532198,0.03352055,0.454601705,0.022707675,0.267812045,0.171452199,-0.065129619,-0.108320587,-0.013603552,-0.071738737,-0.068720715,-0.0305597,-0.08741812
1470,C29 H52 O9,C29 H52 O9 Esi+13.827964,544.3618,13.827964,1.637291933,1.399879639,1.681412035,1.545808913,1.530238958,1.38444166,1.674101129,2.384036442,2.136310791,2.679568797,2.335388175,2.450669763,2.245228875,2.473530794
1471,C19 H20 O4,Gancaonin V,312.133,8.552001,0.922592461,0.87628061,0.984505933,0.818886258,1.152932632,0.907195162,1.012898451,0.343608858,0.326671466,0.363814868,0.286368196,0.422930584,0.314066209,0.362656092
1472,C40 H48,Isorenieratene/ (Leprotene) Esi+12.329024,528.3752,12.329024,0.83861028,0.749552936,0.764368449,0.824960209,0.732320405,0.688625339,0.803892336,0.761868373,0.850193744,0.656497755,0.909521641,0.593488495,0.829774862,0.718086558
1473,C17 H18 N O24 P S,C17 H18 N O24 P S,682.9674,11.636979,0.079414315,0.181797283,0.19122006,0.167453704,0.10212269,0.011346997,0.051374207,0.010782938,-0.050358466,0.08372356,0.000837673,-0.000578938,0.056133573,-0.018456287
1474,C28 H55 N O8 P,PC(2:0/18:1(9Z)),563.3509,5.5500064,0.598906963,0.497138733,0.568944207,0.631522744,0.60531898,0.825734993,0.339183602,0.350879463,0.334078972,0.370922155,0.318661618,0.399972737,0.431929147,0.298623746
1475,C20 H51 N8 O5 P,C20 H51 N8 O5 P,514.3709,10.968995,0.908975026,1.056670998,0.606726233,0.914959288,0.851378411,1.016571695,0.790056599,-0.841287053,-0.914957027,-0.753400066,-0.713077687,-0.984808517,-0.921962439,-0.789272659
1476,C21 H35 N O,Funtumine,334.2982,12.760009,1.437942119,1.711886028,1.111558681,1.528321631,1.402583625,1.738821167,1.274728405,-0.605396395,-0.735041039,-0.450732608,-0.590543556,-0.6103754,-0.730411955,-0.524794257
1477,C10 H16 O4,"2,6R-Dimethyl-2E-octen-1,8-dioic acid Esi+6.0589933",200.1038,6.0589933,0.508907542,0.613505798,0.281237409,0.576254209,0.357544203,0.339306848,0.564473078,-0.354956768,-0.423644746,-0.273013216,-0.372647482,-0.33495792,-0.293492564,-0.394585005
1478,<none>,<none> Esi+11.181973,428.7842,11.181973,1.480773729,1.563976072,1.464599194,1.495848299,1.441039162,1.619877303,1.466871865,0.764758074,0.840590022,0.674291891,0.797703551,0.690870193,0.860340404,0.703132625
1479,C39 H63 N5 O12,Onnamide A Esi+13.8100395,810.474,13.8100395,1.092225224,0.824843292,1.499236977,1.000714561,1.251128581,0.977618247,1.214749121,1.320608045,1.070520989,1.618957516,1.255811734,1.395681949,1.146259808,1.433016777
1480,C21 H45 N O7 P,PC(13:0/0:0)[U],453.2861,12.509018,0.328945676,0.333345221,0.05439915,0.284460657,0.06542277,0.200429036,0.230257448,-0.09510094,-0.159426219,-0.018362011,-0.12238646,-0.078446019,-0.120929383,-0.078448391
1481,C11 O21 P,C11 O21 P,498.8656,13.319021,0.4623719,0.582443322,0.169397472,0.61542596,0.229847003,0.439416699,0.343334833,-0.135827085,-0.17965813,-0.083537417,-0.125083498,-0.161092896,-0.088628347,-0.16625785
1482,C38 H66 N O10 P,"PS(12:0/20:4(5Z,8Z,11Z,14Z))",363.2188,7.673981,0.592299994,0.757431925,0.261478451,0.542705145,0.448087862,0.805870013,0.370112638,0.24684837,0.374385689,0.094698585,0.280828646,0.175442943,0.421027168,0.134548881
1483,C41 H64 O12,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside Esi+15.237043 :1,748.4371,15.237043,0.092915441,0.228486093,0.118767459,0.028369289,0.132702967,0.0320273,0.114649059,-0.005993059,-0.151515528,0.167612693,0.073280625,-0.109796933,0.08864631,-0.067010548
1484,C35 H64 N O8 P,"PE(18:3(9Z,12Z,15Z)/12:0) Esi+12.641035 :1",674.4691,12.641035,0.321684871,0.442919507,0.016814262,0.425730205,0.088647763,0.26463314,0.223081271,-0.088807624,-0.148561497,-0.017522302,-0.07352071,-0.124911945,-0.044079119,-0.11764574
1485,C5 H14 N O,Choline Esi+11.577978,103.0997,11.577978,1.132624892,1.058684837,1.059739652,0.989944567,1.040484773,0.990312892,1.067053803,-1.481403297,-1.473900629,-1.490353849,-1.585460886,-1.332699898,-1.537113556,-1.445484841
1486,C24 H42 O9,C24 H42 O9 Esi+11.12899,474.3164,11.12899,1.042583799,1.068372241,1.084033392,1.133623406,0.945009509,1.274692627,0.972069228,0.941147329,1.037016879,0.826776638,1.095213513,0.698355266,1.094438175,0.842315073
1487,C25 H52 N2 O,C25 H52 N2 O Esi+13.55902,396.4076,13.55902,1.030282482,1.039882555,1.098979702,1.113398027,0.992161004,1.113794806,1.050516426,-1.886611083,-1.795581274,-1.995208048,-1.977274147,-1.807788767,-1.98828703,-1.821056854
1488,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+4.801013",214.1186,4.801013,0.136978859,0.028694842,0.262687313,0.070384297,0.376797269,0.210319708,0.379825944,0.168562443,0.016643617,0.349798936,0.021245336,0.375506312,-0.152817294,0.3757678
1489,C24 H32 O9,Renillafoulin A,464.1999,6.366984,1.043693086,0.907928239,1.057710924,1.082000257,0.907444015,0.834807827,1.062077269,-0.913904481,-0.898156504,-0.932691542,-0.879379461,-0.9763572,-0.837633124,-0.963079435
1490,C28 H62 N15 S3,C28 H62 N15 S3,702.4714,12.509018,0.87051224,0.830681799,0.874154112,0.829989112,0.786725522,0.85202253,0.881081291,0.512879563,0.535982512,0.48531815,0.525660261,0.473637599,0.5541688,0.48625887
1491,C28 H40 O10,"Desacetyl (7)Khivorinic Acid, Methyl Ester Esi+7.1190114 :1",536.2572,7.1190114,0.381900351,0.263145767,0.461259323,0.415871021,0.206802156,0.471885493,0.304251987,0.369479827,0.324181757,0.423519629,0.487689395,0.171322106,0.518618518,0.273324618
1492,C15 H27 N O4,C15 H27 N O4 Esi+6.9959807,285.1932,6.9959807,0.75639249,1.002633543,0.273077356,0.67859377,0.780145322,0.901868496,0.618762369,0.498599034,0.757555012,0.189669096,0.494566883,0.49932297,0.651157206,0.40023916
1493,C23 H36 O8,3''-HydroxyPravastatin,440.2412,10.760008,0.360358458,0.164322305,0.565207626,0.339375888,0.396529494,0.384971736,0.281139466,-0.191798356,-0.070706006,-0.336259406,-0.047777896,-0.439312311,-0.08220441,-0.262457612
1494,C23 H32 N4 O4,Nummularine F Esi+10.077984,428.2404,10.077984,0.554349665,0.401856959,0.682050595,0.504588803,0.480150044,0.721088648,0.380441835,0.536782093,0.45469866,0.634706188,0.575665329,0.464071262,0.728241689,0.413341037
1495,C21 H41 N4 O9 P,C21 H41 N4 O9 P,524.2593,12.125981,0.592263455,0.623086759,0.717708231,0.767560471,0.50492526,0.874511119,0.463055792,0.799822038,0.703498655,0.914734144,0.928584186,0.626364681,0.966149655,0.692584495
1496,C13 H26 N6 O4,Gly Val Arg Esi+9.811012,330.2011,9.811012,0.575062782,0.431955314,0.682698846,0.492384388,0.614654721,0.32952698,0.643444854,-0.43335624,-0.350639508,-0.53203585,-0.368508772,-0.534910118,-0.272509387,-0.537060132
1497,C29 H46 N O4,Cervonyl carnitine Esi+8.762968,471.3356,8.762968,0.371612997,0.369800554,0.485916806,0.528828789,0.306937055,0.477846642,0.404808766,-0.291318229,-0.168295842,-0.438081779,-0.351811062,-0.216938809,-0.315319181,-0.275843931
1498,C28 H51 N O9,C28 H51 N O9,545.3539,12.568025,0.417776045,0.668751667,0.113582329,0.592690997,0.263240682,0.484699502,0.376838324,-0.407317868,-0.71103378,-0.044990114,-0.473546593,-0.313732539,-0.478019141,-0.361734153
1499,C31 H62 N6 O12,C31 H62 N6 O12,710.4415,8.551019,0.474152211,0.703783512,0.09331386,0.459508254,0.347755976,0.719880889,0.276958573,0.200321722,0.348028105,0.024110599,0.240724702,0.119088898,0.367119052,0.092781339
1500,C11 H14 N2 O6,Clitidine,292.0668,2.0100036,1.131207259,1.192324795,0.796799305,1.113066211,1.079707561,1.244040671,0.929038298,0.636654787,0.861504181,0.368413406,0.635438483,0.627711469,0.770093217,0.550622116
1501,<none>,<none> Esi+11.122002,448.8212,11.122002,0.326061353,0.370354796,0.169205727,0.457159269,0.12809053,0.233001637,0.273907494,-0.104889307,-0.119525385,-0.087428722,-0.098305547,-0.137822622,-0.037837854,-0.148119849
1502,C13 H24 O5,C13 H24 O5 Esi+7.808985,260.161,7.808985,0.118081506,0.222520371,0.008210427,0.068372484,0.107524479,0.010063803,0.151802938,-0.074786095,-0.142720234,0.006258142,-0.042922785,-0.132680989,-0.011955529,-0.115295275
1503,C29 H9 N6 O16 P,C29 H9 N6 O16 P,727.9801,12.917983,1.411056835,1.362858984,1.57109989,1.36402098,1.502935408,1.408630037,1.512016873,0.730708828,0.739555222,0.720155235,0.737647932,0.703835797,0.760250361,0.711662313
1504,C24 H56 N26 O,C24 H56 N26 O,724.5125,14.081037,0.593305084,0.695316854,0.273562029,0.666060404,0.397318043,0.534183483,0.517875562,-0.2565845,-0.318563097,-0.182645121,-0.254347195,-0.262960451,-0.205838798,-0.289302124
1505,C23 H32 O8,Polhovolide,436.2075,10.128007,0.013889967,0.023461233,0.098965989,0.067784717,0.03912474,0.291532456,0.159638865,0.090265902,-0.005289655,0.204262005,0.131585342,0.006198191,0.334661614,-0.067305018
1506,<none>,<none> Esi+12.960997,843.0732,12.960997,0.067179189,0.161393886,0.231821454,0.025494508,0.084984951,0.102061539,0.091179453,0.040842981,-0.012627944,0.104632857,0.061779221,-0.007697145,0.098492183,0.003674417
1507,C27 H43 N O2,Solasodine,413.3281,7.8110094,0.039078647,0.00533776,0.153794922,0.148607472,0.07240322,0.3590839,0.13203152,0.01730525,0.026313014,0.006559146,0.042653259,-0.043174224,0.324661551,-0.180858681
1508,C30 H49 N3 O2,Spirolucidine,483.3763,12.835997,1.353734192,1.527844026,1.170683385,1.571815777,1.433980334,1.587032724,1.339826721,-0.906642832,-1.092024666,-0.685485557,-0.911459522,-0.879078722,-0.889870051,-0.917456862
1509,C38 H73 N O8 P,PC(16:1(9Z)/14:1(9Z)),701.4915,13.342025,0.070647471,0.409515432,0.634760566,0.082761019,0.100509407,0.212986856,0.124721444,0.0212711,-0.174454314,0.254768085,-0.007082249,0.057826978,-0.080669216,0.086995777
1510,C30 H52 O9,C30 H52 O9,556.3614,13.045974,0.539069003,0.434081932,0.785437253,0.539779951,0.612351087,0.713389483,0.511756606,0.615119746,0.485031322,0.770312953,0.629111124,0.588848105,0.661229666,0.585390981
1511,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.004984,468.233,10.004984,1.087042001,0.869506191,1.355998823,1.015750018,1.143222059,1.05528568,1.084183621,1.509739226,1.274583655,1.790275696,1.456084932,1.582922548,1.473794851,1.532913889
1512,C39 H76 N O9 P,PS(P-20:0/13:0),755.5127,11.934014,0.168208779,0.034853437,0.455247593,0.131402285,0.284247307,0.315400895,0.155071385,0.103136117,0.048990011,0.167731471,0.090496192,0.093865999,0.175130604,0.056718618
1513,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol",410.2869,7.640993,0.326530113,0.174981927,0.552519226,0.34901393,0.282443266,0.101470834,0.41060688,-0.168284673,-0.056481735,-0.301663616,-0.129694649,-0.242474051,-0.028316011,-0.258527625
1514,C23 H47 N O7 P,PC(15:1(9Z)/0:0),479.3011,12.832017,0.102550161,0.076324829,0.309847352,0.093530058,0.18403647,0.077844287,0.194613574,0.071037231,0.016107096,0.13656792,0.088263199,0.068040605,0.033617539,0.095163086
1515,C6 H11 N O,2-Acetylpyrrolidine Esi+3.755994,113.0839,3.755994,0.954094022,0.94575559,0.881572928,0.649434644,1.24196582,0.739426252,1.017198831,0.71760316,0.770608261,0.654369005,0.534555842,0.955890315,0.607410921,0.788648156
1516,C17 H35 N O2,D-erythro-Sphingosine C-17,285.2665,10.362036,0.603110139,0.57444113,0.671651024,0.668169231,0.650036059,0.52997855,0.681909954,0.320192015,0.272201761,0.377443547,0.294576795,0.365582148,0.27132807,0.351696401
1517,C48 H74 O14,Ivermectin B1a,891.534,13.037034,0.310857673,0.673710929,0.427673671,0.322270478,0.156156569,0.486466888,0.103260734,-0.081312337,-0.281242156,0.15720043,-0.075131449,-0.080112895,-0.195597067,-0.007628761
1518,C11 H15 N O,Ethcathinone,194.1418,5.656991,0.146575699,0.243413032,0.036667914,0.251247099,0.02922462,0.509239589,0.178863127,-0.06329999,-0.07613011,-0.047993883,-0.059572337,-0.057868084,-0.128339257,-0.021366779
1519,C21 H34 O7,C21 H34 O7,398.2284,10.340003,0.531468637,0.471446072,0.480215082,0.450090569,0.570434615,0.353792704,0.527376314,-0.522056015,-0.535151787,-0.50643299,-0.388425945,-0.719178173,-0.394764203,-0.604125737
1520,C20 H22 O5,"1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol",342.1468,12.986021,0.582304411,0.5495088,0.516460684,0.448066202,0.54865513,0.641754934,0.467965362,-0.247721109,-0.252638343,-0.241854934,-0.262717313,-0.220240784,-0.298448258,-0.215015446
1521,C25 H51 N8 O5,C25 H51 N8 O5 Esi+10.17,543.3975,10.17,0.118725154,0.141589873,0.039071975,0.062396862,0.139399181,0.045344067,0.102391727,-0.040224003,-0.040576187,-0.039803853,0.017222087,-0.154199911,0.035663717,-0.089151611
1522,C13 H10 N O21 P S,C13 H10 N O21 P S,578.9203,13.872015,0.287091056,0.376223041,0.015306027,0.390657483,0.102238239,0.167774566,0.225411417,-0.078920051,-0.112759938,-0.038549658,-0.058911705,-0.120618557,0.000203494,-0.129933915
1523,C42 H74 N O9 P,"PS(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+12.315984",784.5335,12.315984,0.351262462,0.385247522,0.131313066,0.404225098,0.126625421,0.209616192,0.315904324,-0.093689872,-0.139822987,-0.038653874,-0.079722115,-0.132535542,-0.03015143,-0.134655446
1524,C24 H46 O4,Axillarenic acid,415.3656,12.830015,0.98018104,0.998420498,0.828520967,0.857829978,1.07094393,0.832931884,1.017236046,-0.990438317,-1.185495817,-0.757738142,-0.973564563,-1.044234426,-1.043687536,-0.956106584
1525,C21 H43 N8 O2,C21 H43 N8 O2,439.3505,12.853023,1.320055552,1.565121083,1.078808002,1.573821433,1.278514381,1.638692945,1.245889599,-1.017402652,-1.301883582,-0.678021895,-1.035502509,-0.935576213,-1.137541646,-0.939944617
1526,C26 H44 O9,Mupirocin Esi+11.208007,522.2801,11.208007,2.095945945,1.968072932,2.299869787,2.080246639,2.175728606,2.043671232,2.177067941,2.503633326,2.336363812,2.703182921,2.443546489,2.564335939,2.476887216,2.520877528
1527,C18 H33 N O4,10-nitro-9E-octadecenoic acid,327.2401,8.791014,0.177553916,0.165705594,0.127170538,0.242381743,0.229992722,0.046795909,0.281558418,0.165773149,0.192759983,0.133578329,0.191696697,0.156812649,0.106143588,0.204218524
1528,C13 H24 N2 O,Anapheline,224.1871,9.472006,1.233417475,1.296658791,1.088876313,1.117526797,1.390891214,1.184021665,1.223679879,-0.832583872,-0.954360988,-0.687305911,-0.772853581,-0.921071479,-0.775873673,-0.869147027
1529,C10 H22 O5,C10 H22 O5,222.1462,4.5600038,0.030703731,0.119961354,0.005162905,0.078519467,0.048938773,0.098581112,0.167169993,-0.044861379,-0.030368421,-0.062151225,0.030336599,-0.141972945,-0.105419222,-0.005817507
1530,C23 H44 N O6,hexadecanedioic acid mono-L-carnitine ester Esi+9.239992,429.3078,9.239992,0.094324672,0.133333808,0.372166402,0.18008465,0.433736742,0.10441875,0.252418272,0.168678081,0.035430401,0.327640224,0.003735224,0.380378141,-0.002524349,0.279058594
1531,C42 H84 N6 O14,C42 H84 N6 O14,896.603,13.537037,0.989092907,0.884369997,1.20414011,1.02099028,0.933586006,1.14160743,0.951584193,0.5510341,0.54439449,0.558955038,0.588595088,0.474196172,0.67129323,0.473498609
1532,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+8.688988,440.2028,8.688988,0.302757878,0.230355747,0.310734028,0.324868456,0.076824143,0.460981125,0.134663068,0.35152057,0.294689768,0.41931872,0.489115647,0.120563557,0.570156306,0.210558056
1533,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid",328.2243,10.816983,0.303099072,0.440227611,0.125809683,0.390604737,0.252425986,0.176017612,0.364381676,-0.199257252,-0.315108977,-0.061048177,-0.185587981,-0.226719467,-0.137775577,-0.238896754
1534,C19 H40 O8,C19 H40 O8,396.2731,7.012975,0.339779915,0.101830495,0.687589943,0.3722328,0.338199426,0.126701664,0.4306585,-0.179669646,-0.032183703,-0.355617788,-0.14342541,-0.252138367,-0.038172988,-0.270897754
1535,C12 H12 N4,MeIQ Esi+5.3140006,212.1047,5.3140006,0.443675763,0.562454028,0.277033643,0.56146295,0.462426428,0.359588229,0.508569413,-0.393430197,-0.527852184,-0.233067125,-0.384952591,-0.41101966,-0.32574064,-0.437072148
1536,C19 H15 N10 O17 P S,C19 H15 N10 O17 P S,718.0068,13.697999,0.188727165,0.275229428,0.081618463,0.092035207,0.164554458,0.041280792,0.179702273,-0.091358746,-0.143757677,-0.028847742,-0.066744172,-0.14278232,-0.084478479,-0.095794708
1537,C34 H46 O7,25-Cinnamoyl-vulgaroside,566.3268,6.5429974,0.624555621,0.917462738,0.140475588,0.685442009,0.349785704,0.88152253,0.373949894,0.229030924,0.409271495,0.014007085,0.293423309,0.11888441,0.413064099,0.110377955
1538,C33 H44 O3,"7',8'-Dihydro-8'-hydroxycitraniaxanthin",488.3337,12.135009,1.384362136,1.47922057,1.387150844,1.508815643,1.186848013,1.585506392,1.342247448,0.814927,0.886306755,0.729772205,0.906131727,0.659970705,0.943016967,0.732342679
1539,C50 H89 N O17,C50 H89 N O17,975.6126,14.24803,0.927439441,1.055993297,0.617024562,0.937352064,0.799543549,0.872032413,0.861106727,-1.067336882,-1.378563396,-0.696049111,-1.052710189,-1.108613611,-1.122504862,-1.031768053
1540,C29 H50 N6 O6,C29 H50 N6 O6,576.3911,15.100035,0.437023002,0.40047003,0.29888826,0.460755717,0.217628088,0.317491811,0.317243311,-0.196870697,-0.244929799,-0.139537033,-0.1719701,-0.231673499,-0.136385992,-0.235867415
1541,C22 H20 N10 O21 P,C22 H20 N10 O21 P,791.0536,13.837961,0.292420988,0.126893872,0.598895647,0.233672419,0.386938603,0.393357045,0.28135723,0.187479413,0.133565361,0.25179793,0.196167428,0.160787933,0.241086699,0.15291682
1542,C28 H50 O5,6?-Hydroxy-castasterone Esi+15.079039,466.365,15.079039,1.331882904,1.42920318,0.981952004,1.215848187,1.293090316,1.212590968,1.279668473,-0.866875227,-1.066788241,-0.628382509,-0.74005755,-1.042004541,-0.772373205,-0.927804163
1543,C36 H44 N4 O,Manzamine A,548.3525,10.170001,0.823989936,0.987659722,0.64301789,0.849160972,0.657059994,0.965515223,0.737912495,0.40913896,0.54730245,0.24431234,0.462638869,0.305648215,0.558442859,0.312877235
1544,C5 H8 O2 S,C5 H8 O2 S,132.0243,1.0229981,0.693046808,0.773054253,0.456849749,0.545437396,0.788879407,0.526994371,0.743041316,0.241945403,0.299437101,0.173358816,0.193790901,0.322220444,0.211942263,0.261289532
1545,<none>,<none> Esi+11.90202,413.7789,11.90202,1.399105836,1.474299105,1.376719842,1.517896297,1.283925835,1.58497503,1.348467673,0.675804027,0.708806136,0.636433089,0.717067729,0.593877653,0.771389356,0.614176643
1546,C21 H38 O7,Erythronolide B,402.2611,12.266,1.760809292,1.533014768,2.010143321,1.66178575,1.968727216,1.502396795,1.960927703,2.449193768,1.991484329,2.995233099,2.117605352,2.905922032,2.001790663,2.737651033
1547,C37 H66 O7,Gigantetronenin Esi+13.59698,644.4583,13.59698,0.408945316,0.539761876,0.070287518,0.565242451,0.146579815,0.371402394,0.286800204,-0.121133844,-0.185576683,-0.044254667,-0.121056202,-0.135274888,-0.083690214,-0.145275131
1548,C12 N O15 P S2,C12 N O15 P S2,492.8471,11.001975,0.211097647,0.258837097,0.022890664,0.339302177,0.016688108,0.1256745,0.138085164,-0.060211073,-0.078433734,-0.038471758,-0.065305804,-0.078316332,0.001321435,-0.099883348
1549,C36 H60 O10,Notoginsenoside T1,669.4544,13.520016,1.238972234,1.275836093,1.363362032,1.226483126,1.346781718,1.264755357,1.367381683,0.566589856,0.588847888,0.540036414,0.568562773,0.54853925,0.573964885,0.561834903
1550,C7 H4 N3 O3 S,C7 H4 N3 O3 S,209.996,5.064004,0.177123783,0.015016328,0.370262295,0.275843499,0.018809061,0.22772562,0.092001861,-0.064056719,0.190244007,-0.367433024,0.002893877,-0.175155421,-0.004450524,-0.102487029
1551,C13 H20 N2 O4,Dihydroxymelphalan,268.1384,6.5209966,0.118751281,0.073219779,0.313129665,0.198397649,0.012822292,0.075662756,0.093491562,-0.042078989,0.055741441,-0.158777046,-0.082784503,-0.00669473,0.015230882,-0.079028775
1552,C45 H67 N8 O8,C45 H67 N8 O8,847.5087,13.06201,0.34998401,0.703371663,0.419452901,0.356811231,0.179216308,0.518157062,0.163385886,-0.095779023,-0.300779411,0.148782845,-0.094714089,-0.089912398,-0.2031374,-0.026561121
1553,C48 H77 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",866.5052,14.448979,1.098255806,0.949046285,1.363860825,1.111561738,1.118216075,1.250669032,1.044480986,1.192580599,1.058131549,1.352975956,1.271617474,1.102991371,1.255233568,1.152185921
1554,C34 H70 N O S4,C34 H70 N O S4,634.4284,15.24702,0.580049403,0.436458716,0.867540579,0.758262092,0.459017674,0.614387878,0.650456739,0.479919659,0.368606253,0.6127146,0.544396392,0.379178233,0.427725097,0.513571417
1555,<none>,<none> Esi+11.007008,494.8234,11.007008,1.513653046,1.554537576,1.535175705,1.538793879,1.472446454,1.578682651,1.532651927,0.790481779,0.848877246,0.720817012,0.819306997,0.724076677,0.853869509,0.749613375
1556,C13 H22 O4,2-Carboxy-4-dodecanolide,242.1516,7.80799,0.197985415,0.313527638,0.082351516,0.226144209,0.170413918,0.125564119,0.2002866,-0.082343873,-0.150053014,-0.001568056,-0.068365079,-0.118171249,-0.032889055,-0.114229216
1557,C18 H26 O5,beta-Zearalanol,322.1752,9.2840185,2.164968458,2.100210376,2.17428505,2.131841987,2.177572062,1.993444462,2.252792395,2.856689297,2.727989822,3.010225513,2.773941286,2.949526702,2.766509309,2.914831658
1558,C22 H34 O7,Nigakihemiacetal A,410.2276,10.441988,0.477890144,0.404402817,0.471476647,0.365991575,0.464135405,0.531838513,0.414403735,0.455641592,0.482587533,0.423495556,0.522440135,0.342131742,0.598449712,0.363567935
1559,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+15.137963",576.4738,15.137963,1.875287244,2.039228896,1.567347533,1.828489091,1.85587163,1.866730024,1.863263695,-2.535148736,-2.975977517,-2.009247735,-2.508089653,-2.546123728,-2.559606564,-2.519379874
1560,C27 H38 F6 O4,"6,19-epidioxy-26,26,26,27,27,27-hexafluoro-25-hydroxy-6,19-dihydrovitamin D3 / 6,19-epidioxy-26,26,26,27,27,27-hexafluoro-25-hydroxy-6,19-dihydrocholecalciferol",540.2693,11.918966,1.030953051,0.878174176,1.243513471,1.071016644,0.981741721,1.08678913,0.995617649,1.073403885,0.94010256,1.232430026,1.123922886,0.98755198,1.094482934,1.059813445
1561,C29 H56 O S2,C29 H56 O S2,484.3758,14.125,0.70262384,0.752213496,0.510307489,0.632065388,0.674739378,0.616247985,0.653566877,-0.498023932,-0.612701249,-0.361215904,-0.439492265,-0.615821218,-0.450377062,-0.528743624
1562,C21 H29 N5 O6,Trp Asp Lys Esi+13.350025,464.2386,13.350025,1.283538502,0.95735235,1.616087187,1.139269056,1.423327918,1.158199131,1.351102756,1.369198963,1.12562474,1.659778738,1.25886704,1.534329468,1.193007914,1.482795824
1563,C48 H79 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))",894.5313,14.78704,0.910217174,0.804668185,1.057898603,0.957853658,0.900685816,1.042945871,0.846165968,0.889565718,0.816555635,0.976665466,0.996452042,0.763441128,1.030781419,0.798518753
1564,C24 H49 N8 O5,C24 H49 N8 O5,529.3791,9.597004,0.730686418,0.637025804,0.887021832,0.775725415,0.626498044,0.466704551,0.784500398,-0.428379464,-0.317953189,-0.560116072,-0.395124844,-0.499220083,-0.231280787,-0.555456242
1565,C52 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",897.6093,13.537037,0.917387101,0.78907622,1.00527933,0.83215199,0.870877121,0.960561787,0.852784015,0.534243969,0.537622358,0.53021361,0.560599902,0.474505195,0.636964061,0.468016541
1566,C30 H58 O6,C30 H58 O6,514.4224,15.085988,1.456432637,1.539499301,1.260697317,1.514273098,1.358675182,1.414353993,1.416266891,-0.998541794,-1.149708928,-0.818202055,-0.94788487,-1.092468828,-0.875117136,-1.078118218
1567,C23 H41 N O4,15(S)-15-methyl PGF2? ethyl amide,395.303,11.059009,0.451899959,0.327561555,0.646796019,0.439778946,0.546372644,0.598954022,0.441524146,0.436080514,0.346919362,0.542448205,0.389755364,0.481263451,0.472852181,0.412372466
1568,C27 H44 O5,Porrigenin A,448.3193,11.117992,0.359975094,0.405806134,0.192296519,0.49385704,0.155681467,0.247839345,0.318105309,-0.126083285,-0.145335558,-0.103115661,-0.128969343,-0.145679691,-0.056932637,-0.170667255
1569,C41 H72 N O10 P,"PS(13:0/22:4(7Z,10Z,13Z,16Z))",384.2416,9.103021,0.449853611,0.575830524,0.232778344,0.432506547,0.363965291,0.654722692,0.304835303,0.21305694,0.312437361,0.094497842,0.25764878,0.128996623,0.366191232,0.114325621
1570,C11 H26 N2 O2 S,C11 H26 N2 O2 S,250.1722,9.157982,0.589121448,0.633799509,0.580493477,0.662612124,0.438961845,0.797626281,0.463762138,-0.553390198,-0.491349791,-0.627403314,-0.710648161,-0.348741993,-0.643894694,-0.495038615
1571,C16 H36 N,Tetrabutylammonium,241.2763,8.564971,0.781466917,0.903768511,0.755231868,1.195232678,0.615746254,1.3641641,0.520911999,-0.344696045,-0.332009328,-0.359831075,-0.3885266,-0.289579396,-0.406013223,-0.305162601
1572,C30 H51 Cl2 N4 P,C30 H51 Cl2 N4 P,568.3265,12.031986,1.422527813,1.092477945,1.953630197,1.135458892,1.873360761,1.215482755,1.643658335,1.699450573,1.344740766,2.122613149,1.437992687,2.037826132,1.498891436,1.828758437
1573,C30 H62 O10,Polidocanol,599.4604,13.31299,0.131649469,0.219136326,0.152936217,0.123791247,0.013987331,0.062286124,0.098607522,-0.008372046,-0.053879491,0.045917538,0.007952826,-0.046729607,0.069184481,-0.058375596
1574,C13 H24 N6 O6,Glu Gly Arg,360.1757,5.8420067,0.481840456,0.237820755,0.820047244,0.31438359,0.619530603,0.197255158,0.619906933,-0.359185657,-0.158500581,-0.598599431,-0.237806455,-0.540887708,-0.149469871,-0.49439715
1575,C31 H65 N4 P S2,C31 H65 N4 P S2,588.4358,15.19403,1.040519388,1.015521911,1.040729011,1.006857987,1.041290016,1.028636057,0.984443481,-0.690323198,-0.693646842,-0.686358148,-0.61515393,-0.80405622,-0.687394845,-0.692211214
1576,C26 H52 N O8 P,PS(P-20:0/0:0),536.3319,13.418965,1.735706256,1.503846012,2.097533702,1.741099156,1.854104032,1.682282931,1.828490163,1.216249313,1.06255114,1.399608536,1.146327254,1.302014437,1.125044765,1.275052244
1577,C33 H48 O3,"1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol Esi+12.834976",491.3561,12.834976,0.127830408,0.264467924,0.184450883,0.226985875,0.049167752,0.0717851,0.03578613,-0.015190768,-0.055820953,0.033280329,-0.010487483,-0.027903326,0.016988925,-0.035938202
1578,C16 H36 N,Tetrabutylammonium Esi+11.282976,241.2763,11.282976,0.148354748,0.12364985,0.134182347,0.170791027,0.087413597,0.114677727,0.159151358,0.040256673,0.069623236,0.00522288,0.088926502,-0.022520909,0.110321354,-0.004916607
1579,C23 H32 O4 S,7?-(Thiomethyl)spironolactone sulfoxide,404.2019,6.04501,0.56335484,0.160001061,1.011308098,0.505635527,0.690991952,0.300751229,0.729062222,-0.34577736,-0.08231434,-0.66008412,-0.265001038,-0.481167202,-0.145065119,-0.475183936
1580,C22 H50 N2 O8 P,C22 H50 N2 O8 P,499.3143,14.055976,0.142645526,0.176251117,0.60490946,0.080555189,0.250657346,0.079603573,0.232218736,0.254659285,-0.158621855,0.747696435,0.156327605,0.386358053,0.072299253,0.372233516
1581,C26 H40 O4,Methandriol dipropionate Esi+11.81299,424.8006,11.81299,0.173511338,0.086316856,0.371373298,0.133022072,0.259872691,0.324991636,0.171567405,0.137836239,0.110083115,0.170945228,0.156160493,0.085385592,0.240305941,0.071770247
1582,C37 H80 N25 O S2,C37 H80 N25 O S2,954.6426,13.87303,1.121069449,1.029447207,1.296974076,1.169634763,1.044502913,1.331386975,1.034595227,0.743447711,0.742226664,0.744904399,0.790869822,0.65023072,0.900180644,0.642396215
1583,C41 H76 Cl2 N10 O2,C41 H76 Cl2 N10 O2,809.5535,13.76703,0.022210838,0.178535801,0.377323584,0.09422646,0.20525117,0.08067469,0.062448282,0.079883043,-0.011694887,0.189133906,0.065949524,0.081176309,0.129155704,0.048115143
1584,C9 H17 N O,N-Methylpelletierine,155.1307,1.3970025,1.316381106,1.129490371,1.527713008,1.105061888,1.663817637,0.798520052,1.685653213,0.445864957,0.380781003,0.523508971,0.348243315,0.580039002,0.26731302,0.560983969
1585,C31 H45 N3 O4 S,Pateamine Esi+11.755004,554.3066,11.755004,2.502797657,2.420125575,2.745563611,2.518734905,2.713209533,2.482651653,2.636176233,4.36907776,3.925650502,4.8980787,4.074112072,4.75341561,4.034875697,4.584550143
1586,C15 H2 O12 P S3,C15 H2 O12 P S3,500.8417,13.319021,1.826604403,1.937603907,1.881783957,1.881171577,1.950766052,1.971901985,1.905725216,0.936065921,0.989995121,0.871729331,0.950819919,0.901578986,0.977787232,0.909166655
1587,C20 H32 N6 O7,C20 H32 N6 O7 Esi+9.884013 :1,468.2335,9.884013,1.537798188,1.394694166,1.732781737,1.427360032,1.615964475,1.550517346,1.526079389,2.05013782,1.85623768,2.281457285,1.969626704,2.141669016,2.024524236,2.066651841
1588,C31 H7 Cl N O3 S4,C31 H7 Cl N O3 S4,603.8994,12.394027,1.312511997,1.207599916,1.250902584,1.214320168,1.279910881,1.048257086,1.440144369,0.848146882,0.845440594,0.851375436,0.864462058,0.803472702,0.843209526,0.851330177
1589,C41 H86 N23 O3 P,C41 H86 N23 O3 P,979.7006,13.32103,0.016689307,0.076433841,0.274989932,0.039233761,0.14563489,0.147968687,0.058621434,0.082720188,0.035044158,0.139596855,0.109626166,0.024579184,0.173918993,0.023920959
1590,C28 H49 N O3 P S,C28 H49 N O3 P S,510.3167,12.671013,2.608096183,2.514743517,2.809243956,2.609943429,2.791208298,2.495060431,2.76891486,4.50509617,4.227295714,4.836507239,4.277706204,4.799444624,4.130118617,4.746858013
1591,C22 H46 O6,C22 H46 O6,406.3289,14.032973,0.488589692,0.634667563,0.155992466,0.449994348,0.472922485,0.571272003,0.382261993,-0.206885307,-0.304942556,-0.089904729,-0.161805874,-0.273591406,-0.219967713,-0.198450598
1592,C16 H18 O2,"6E,8E,14Z-Hexadecatriene-10,12-diynoic acid",242.1278,4.622,0.379387922,0.454105973,0.10954003,0.377619309,0.33881982,0.457787633,0.264940728,0.311238941,0.533800571,0.04572682,0.43789653,0.114396111,0.483102488,0.20043218
1593,C36 H58 O8,Momordicoside I,618.4149,13.448979,0.50602935,0.315088858,0.689185116,0.422338726,0.560547887,0.354574648,0.598517366,0.55971775,0.407608686,0.741181195,0.536315917,0.572873121,0.474961243,0.614363392
1594,C19 H28 N4 O3,LY255283 Esi+13.862041,360.2111,13.862041,1.253563223,1.606764375,0.903184915,1.392564498,1.211748659,1.518510844,1.23366961,-0.975034961,-1.229113932,-0.671923205,-1.009492966,-0.914261493,-1.032183006,-0.93818951
1595,C30 H58 N18 O2,C30 H58 N18 O2,700.491,14.13402,0.010887115,0.231940275,0.403360078,0.052883875,0.09768075,0.188175906,0.114818486,0.052351759,-0.073517949,0.202512113,0.056044472,0.034601775,0.210051619,-0.04932315
1596,C24 H51 N O6 P,PC(O-16:1(9Z)/0:0),491.3412,11.587991,0.235760175,0.293231449,0.168013421,0.296055273,0.193752632,0.257688033,0.238775277,0.203936187,0.227099242,0.176303069,0.23205042,0.131514151,0.232738315,0.185366394
1597,C34 H63 N5 O9,Pepstatin,684.4569,13.06299,1.481703863,1.495025765,1.492114643,1.445794061,1.466948698,1.436865475,1.542250051,0.721538374,0.759253566,0.676544812,0.733385911,0.691414607,0.729402764,0.716467912
1598,C7 H14 O4,Potassium 2-(1'-ethoxy) ethoxypropanoate,162.0918,4.97301,1.182456959,1.265129864,0.94402952,1.147714646,1.180775011,1.22477145,1.117677466,-1.215921678,-1.400271646,-0.9959954,-1.116005872,-1.319951598,-1.226499433,-1.20910181
1599,C25 H4 N4 O17 P,C25 H4 N4 O17 P,662.9307,11.683024,1.456430549,1.422670862,1.500806343,1.446418952,1.399730377,1.481540227,1.452435922,0.820094216,0.855144351,0.778280019,0.845952231,0.759117299,0.880054867,0.781435375
1600,C35 H54 O8,Ganoderic acid Mg Esi+7.0770183,624.3687,7.0770183,0.562454297,0.849716361,0.083278169,0.576134002,0.334479603,0.810610511,0.311113413,0.199853211,0.365507952,0.002230011,0.248327098,0.109675302,0.371991848,0.088869089
1601,C17 H35 N,(-)-Solenopsin A,275.2603,10.193988,0.049183975,0.099275402,0.2344048,0.044419557,0.158378468,0.04077216,0.079509476,0.037061948,-0.003582521,0.085550085,0.032329474,0.035973568,0.060902847,0.021690842
1602,C19 H15 N10 O18 P S,C19 H15 N10 O18 P S,734.0014,11.977031,0.201607746,0.059360099,0.465542648,0.124807171,0.345596841,0.280524011,0.188532367,0.124372483,0.076108695,0.181950336,0.109289476,0.121708296,0.172912413,0.093077002
1603,C24 H49 N O4,C24 H49 N O4,415.3654,13.07103,1.186709284,1.196092807,1.083938343,1.091357767,1.257066063,1.040397247,1.231898564,-1.183329513,-1.343172769,-0.992639312,-1.201715395,-1.189305422,-1.248373863,-1.141393024
1604,C30 H52 O9,C30 H52 O9 Esi+13.251971,556.361,13.251971,0.854118806,0.78771611,1.021707993,0.933430081,0.820726294,0.865144361,0.876606884,0.690678444,0.597631316,0.801682036,0.743999559,0.624272226,0.665385733,0.706985587
1605,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+16.05903",576.4743,16.05903,1.22304419,1.273054847,1.007421723,1.213753139,1.07119382,1.179638756,1.119722761,-1.133883741,-1.361941708,-0.861814589,-1.164278778,-1.104528245,-1.223055449,-1.076391456
1606,C21 H43 N14 O9 P S,C21 H43 N14 O9 P S,698.2782,6.301015,1.976887949,1.881556296,1.894297546,1.84683247,2.057324606,1.827401549,2.003460711,2.221458532,2.37400622,2.039471816,2.075121191,2.413141536,2.222505786,2.220783328
1607,<none>,<none> Esi+12.256024,807.0482,12.256024,0.295226906,0.178250712,0.474397259,0.25181819,0.37962025,0.359741347,0.280298491,0.190571004,0.162616783,0.2239199,0.202251011,0.150871026,0.245443289,0.155192821
1608,C17 H31 N O4,C17 H31 N O4 Esi+8.135008,313.2249,8.135008,0.142231864,0.104725068,0.16850312,0.04815012,0.384803004,0.270163367,0.413589169,0.083764119,0.068017291,0.102549809,0.044332433,0.229816536,-0.166395055,0.245050955
1609,C48 H85 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",425.7904,9.1200075,0.48780926,0.473373274,0.556625152,0.68718418,0.247676321,0.530770022,0.427190266,-0.348547313,-0.292833104,-0.415013388,-0.415629187,-0.275988756,-0.280860848,-0.392187271
1610,C5 H12 N,Neurine Esi+1.3250011,85.0891,1.3250011,0.652722716,0.766170659,0.388528723,0.640195879,0.572848117,0.483858218,0.666827938,0.340888102,0.472130987,0.184317642,0.36112822,0.326096681,0.317425916,0.356015038
1611,C20 H31 F O3,"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one Esi+6.2430096 :1",338.2301,6.2430096,0.446131406,0.236528446,0.738809585,0.423142685,0.430379801,0.277016637,0.492868733,-0.219265013,-0.105853465,-0.354563,-0.175309088,-0.299692004,-0.113788939,-0.287269323
1612,C19 H28 N4 O3,LY255283 Esi+10.756014,360.2144,10.756014,2.247131161,2.074548717,2.489736903,2.118644502,2.458557676,2.079885521,2.372613242,3.02534444,2.674800648,3.443537034,2.86986688,3.24791499,2.821748046,3.156610536
1613,C44 H58 O S,C44 H58 O S,633.4214,12.822999,0.34272715,0.432709568,0.243880064,0.3299915,0.305750351,0.60029726,0.197274419,0.348539443,0.499395587,0.16857071,0.464192888,0.164795512,0.667439258,0.142932984
1614,C37 H61 O8 P,"PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",664.4163,15.006037,0.219745215,0.350485586,0.024891388,0.274374593,0.095999425,0.128233885,0.199616857,-0.089552376,-0.223135392,0.069809818,-0.085444675,-0.120849988,-0.049847552,-0.115151539
1615,C18 H28 O5,Cibaric acid,324.1897,10.017991,0.382308785,0.193507344,0.459657712,0.326360358,0.289740042,0.363905287,0.334678596,0.406732063,0.233221693,0.613726891,0.39682234,0.436841954,0.354350228,0.440504562
1616,C12 H27 N7 P,C12 H27 N7 P,300.1982,9.514002,0.708315623,0.565250657,0.554709202,0.450477534,0.791650009,0.521584282,0.684471153,-0.738185322,-0.590238127,-0.914683729,-0.54033635,-0.98863581,-0.617878768,-0.815751389
1617,C19 H31 N O,17a-Aza-D-homoandrost-5-en-3beta-ol,306.2667,11.729985,1.089223796,1.401470624,0.618550205,1.219996245,1.015660579,1.366188047,0.855560761,-0.36653875,-0.500359172,-0.206893335,-0.352437881,-0.372404138,-0.460484889,-0.305968214
1618,C26 H55 N O9,C26 H55 N O9,525.3868,13.445011,0.287200159,0.632951826,0.340867702,0.224512996,0.177049372,0.474141059,0.067848268,-0.07354241,-0.271804507,0.162980794,-0.067464357,-0.078553666,-0.195401458,0.005024607
1619,C29 H61 N4 P S2,C29 H61 N4 P S2 Esi+14.75,560.4049,14.75,1.38534915,1.59727729,1.149448845,1.508531103,1.283084394,1.514391403,1.3288161,-1.102297151,-1.386389631,-0.763379808,-1.121024351,-1.087766573,-1.197986145,-1.040602932
1620,C30 H8 N8 O14 P,C30 H8 N8 O14 P,734.9883,13.292983,1.307932649,1.25394162,1.470264567,1.309973641,1.349290513,1.33717438,1.367411574,0.650908563,0.652261288,0.649294786,0.660998439,0.622638714,0.673214161,0.636527322
1621,C34 H8 N3 O14 P,C34 H8 N3 O14 P,712.9749,13.354003,1.429885347,1.378489809,1.557600147,1.395926259,1.469725507,1.403401301,1.515798964,0.763874605,0.766474672,0.760772769,0.771359771,0.74004414,0.768380045,0.760969781
1622,C37 H48 N2 O8,Cytotrienin A,648.342,10.022976,0.663040054,0.860911094,0.341148124,0.692949108,0.564734559,0.665511445,0.631428325,-0.90545457,-1.277834722,-0.461211581,-0.863205979,-0.874011689,-0.949043633,-0.877351095
1623,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.034994,284.1234,5.034994,1.572019194,1.55387909,1.492198311,1.541283895,1.558595662,1.50014509,1.542543081,1.664380194,1.677582225,1.648630404,1.77290529,1.483167198,1.752917571,1.607296886
1624,C9 H17 N O2,Gabapentin Esi+3.7739906,171.1259,3.7739906,0.370431235,0.338551051,0.293833427,0.460741185,0.242713328,0.418539472,0.312883089,-0.336063907,-0.329783308,-0.343556551,-0.301146356,-0.369049717,-0.300431335,-0.359037538
1625,C30 H40 N4,Dequalinium,455.318,9.756005,0.317314055,0.358502642,0.234380102,0.436346513,0.193278018,0.400188793,0.193193508,-0.190138657,-0.169796483,-0.214406513,-0.221230999,-0.176364668,-0.240769215,-0.157495271
1626,C26 H53 N8 O6,C26 H53 N8 O6,573.4101,9.537005,0.589133759,0.522001876,0.520646155,0.595506265,0.326617443,0.387282588,0.518080131,-0.604827808,-0.553581634,-0.665963594,-0.594113122,-0.599476734,-0.410689263,-0.729996081
1627,C44 H59 N3 O2,C44 H59 N3 O2,661.4603,8.515997,0.994576303,1.002657563,0.939014524,1.12180022,0.696437432,1.103417168,0.874757885,-0.544688336,-0.525913168,-0.567086782,-0.592879487,-0.454386772,-0.545577826,-0.544114849
1628,C36 H71 N2 O7 P,"PE-Cer(d16:2(4E,6E)/18:0(2OH)) Esi+12.575988",696.4816,12.575988,0.383434277,0.251061542,0.5859897,0.324146571,0.419846739,0.451564941,0.339444012,0.239737725,0.17623556,0.315494694,0.224592019,0.241766523,0.304308857,0.198106338
1629,C7 H14 O7,Coriose,210.0742,1.1690031,0.061586873,0.125360601,0.005201916,0.063624897,0.223930562,0.124849038,0.016176292,-0.179652425,-0.061531863,-0.320568183,-0.176862828,-0.156700318,-0.118122744,-0.219322877
1630,<none>,<none> Esi+6.637977,512.7974,6.637977,1.472916502,1.461022391,1.514007171,1.368634538,1.631352301,1.404988929,1.481192636,1.202154237,0.973721613,1.474670351,0.995101208,1.480330103,0.936421255,1.373482081
1631,C17 H43 N14 O5,C17 H43 N14 O5,523.3611,13.220966,0.454429549,0.567935755,0.473592378,0.43287021,0.528180935,0.526247684,0.494727829,0.231309956,0.253206646,0.20518759,0.243764586,0.199350875,0.249464536,0.21960503
1632,<none>,<none> Esi+12.310038,528.6982,12.310038,0.184401647,0.063560065,0.405651829,0.081307953,0.290154573,0.120002032,0.28805083,0.150194766,0.106612915,0.20218715,0.152252572,0.12942916,0.153693685,0.147938884
1633,C36 H54 O2,2-Hexaprenyl-6-hydroxyphenol,517.3973,9.572016,2.059615806,1.971640983,2.439759468,2.114127343,2.310448169,2.21963551,2.167104374,2.064155908,1.838976645,2.332790819,1.967433811,2.20866794,1.946592083,2.139953638
1634,C12 H24 N2 O3,Ile Ile,244.1778,4.831991,0.990139334,0.992934513,0.937221255,0.926988571,1.028234303,0.978092593,0.938949489,0.765719583,0.749275703,0.785336843,0.663745134,0.922180365,0.745649973,0.7786592
1635,C25 H53 N O7 P,PC(O-15:0/2:0)[U],532.3329,6.714994,0.922891911,0.705701429,1.090047942,0.685562514,1.145557332,0.733077008,0.959953237,0.725152271,0.466567434,1.033639444,0.539279122,0.97569379,0.504927067,0.867139573
1636,C24 H51 O8 P,PG(O-18:0/0:0),515.3614,8.805017,0.501435638,0.408003898,0.56485748,0.657166303,0.251272364,0.374278906,0.496830927,-0.261404657,-0.20654423,-0.326852184,-0.305843072,-0.225314698,-0.164210299,-0.32406944
1637,C37 H70 Cl2 O3,C37 H70 Cl2 O3,632.4611,15.209975,0.484168103,0.511291122,0.314012299,0.286143558,0.571733037,0.432957799,0.367304022,-0.188944988,-0.252612578,-0.11299067,-0.104082806,-0.30755059,-0.214951319,-0.172177749
1638,C21 H5 O23,C21 H5 O23,624.9228,13.675031,1.686180191,1.737536838,1.81658399,1.754424126,1.753184016,1.827409281,1.745225441,0.913466855,0.93863196,0.883445326,0.940204202,0.858731622,0.961959825,0.88220165
1639,C21 H39 O6 P,CPA(18:1(9Z)),418.2542,7.014011,0.103594311,0.479976457,0.418303128,0.148591833,0.017578842,0.426537083,0.097493603,0.018362604,0.215472438,-0.216785969,0.07264248,-0.080139712,0.20723781,-0.103412199
1640,C23 H42 O7,C23 H42 O7,430.2944,12.086,0.697171251,0.498816319,0.987447226,0.817336727,0.570143972,0.72731205,0.674095784,0.567342931,0.44219045,0.716647644,0.666519415,0.423795043,0.60415994,0.543605648
1641,C32 H62 Cl2 N4 O P,C32 H62 Cl2 N4 O P,619.4061,11.783999,1.170001191,1.262100435,0.866554225,1.219886249,0.873089222,1.128214954,1.081173499,1.022175746,1.148475704,0.871502112,1.119033397,0.858344473,1.061346139,0.99692115
1642,C16 H28 N2,C16 H28 N2,248.2248,9.833007,0.478790649,0.613307626,0.220916123,0.45629667,0.494060692,0.683577246,0.307989719,-0.193179312,-0.218172658,-0.163362689,-0.158708998,-0.235084265,-0.22703385,-0.171352044
1643,C28 H50 N6 O4,C28 H50 N6 O4,534.3894,14.592028,0.516397536,0.646679131,0.19171553,0.448293597,0.480179666,0.417309575,0.459097002,-0.170701731,-0.334583033,0.024805787,-0.090291594,-0.305221156,-0.117566302,-0.2049601
1644,C18 O19 S,C18 O19 S,551.8755,13.555978,1.803795429,1.881578059,1.909799484,1.8377658,1.938790076,1.901469923,1.916343403,0.954417581,1.003588565,0.895757461,0.96213341,0.928228462,0.985986089,0.934064201
1645,C34 H52 O6,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid",573.408,8.447999,0.842991226,0.827997888,0.88973172,1.014355688,0.57976837,0.935320585,0.731256311,-0.509107443,-0.447016838,-0.583180446,-0.573498484,-0.433572134,-0.457866444,-0.542144403
1646,C47 H78 O14,Nanchangmycin Esi+14.499019,866.5374,14.499019,0.239180132,0.039689919,0.516570851,0.250357634,0.224708085,0.268820388,0.254404056,0.337152912,0.183532494,0.520419376,0.374454398,0.276674912,0.36644321,0.318268379
1647,C9 H18 N2 O2,3-[(3-Methylbutyl)nitrosoamino]-2-butanone,186.1366,2.175998,1.482092881,1.409020267,1.379795201,1.496156455,1.37508566,1.486738627,1.361004614,0.430890315,0.408751986,0.457300954,0.425077465,0.441221353,0.443479727,0.422773458
1648,C28 H44 F2 O3,"24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol Esi+12.355973",465.3169,12.355973,1.53172931,1.511641788,1.608857275,1.549506082,1.481111115,1.594329885,1.545254271,0.770973231,0.795861335,0.741282161,0.808148147,0.699786971,0.834281244,0.730156223
1649,C51 H85 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",935.5601,13.011977,0.208440551,0.564609794,0.514234245,0.194506899,0.076142544,0.36455402,0.011978325,-0.034397631,-0.229782947,0.198693623,-0.019740446,-0.04465485,-0.140761096,0.034178814
1650,C16 H O19 P,C16 H O19 P,527.8865,13.663027,0.350058978,0.457976795,0.039679696,0.450519607,0.1820673,0.252851708,0.275606646,-0.104698058,-0.146147087,-0.055250093,-0.081761876,-0.148985962,-0.031862508,-0.151657821
1651,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+9.4139805,482.2489,9.4139805,0.455858881,0.439208806,0.405521669,0.454670768,0.369394332,0.735722966,0.273742581,0.5708652,0.591995996,0.545656531,0.678260541,0.400041408,0.893563935,0.362809436
1652,C30 H46 O5,Lucyin A,486.3313,14.7939625,1.404969177,1.53520931,1.23660496,1.638163653,1.196135469,1.554268889,1.294982081,-0.983280141,-1.156224239,-0.776960866,-0.963965618,-1.02186363,-0.973530869,-0.989565856
1653,C32 H67 N23 O P,C32 H67 N23 O P,820.5637,13.016036,0.453310561,0.498653934,0.217730552,0.491110413,0.16872926,0.346286431,0.390632595,-0.154290267,-0.220082204,-0.075801641,-0.147391364,-0.175458653,-0.106471765,-0.185120617
1654,C35 H58 N4 O5 S,Prostaglandin A1-biotin,663.4394,7.1760173,0.399608613,0.224299137,0.666756614,0.46760576,0.355582275,0.122376171,0.556587387,-0.206882441,-0.092711042,-0.343086918,-0.19600329,-0.24269246,-0.039740636,-0.314644921
1655,<none>,<none> Esi+6.2790136,422.7693,6.2790136,0.383471321,0.085861803,0.801009401,0.052328494,0.813819706,0.150592894,0.62750368,0.388291795,0.022098686,0.825153749,0.116869457,0.764219947,0.014790501,0.629101839
1656,C12 H24 N6 O5 S,Cys Ser Arg,364.1502,4.5349927,1.240506684,1.156980111,1.22387654,1.473153806,1.028169796,1.486782769,0.991930537,0.709972245,0.741008686,0.672946315,0.810219012,0.576898933,0.850238796,0.619537232
1657,C15 H30 O,3-Ethyltridecan-2-one Esi+9.885008,243.2559,9.885008,0.290140653,0.526367022,0.203638927,0.475264007,0.072110829,0.316099713,0.13348208,-0.054372456,-0.120338628,0.024324031,-0.107602504,0.015408073,-0.096676505,-0.027097476
1658,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.691962",814.5445,14.691962,1.625080817,1.598257307,1.429611532,1.652199904,1.433810785,1.436655799,1.621706088,-1.566754334,-1.714908141,-1.390009441,-1.50391576,-1.658588892,-1.457609138,-1.637124262
1659,C28 H53 Cl N10 O2,C28 H53 Cl N10 O2,596.4039,13.360034,1.59811697,1.637709756,1.565763754,1.596975392,1.591958908,1.574732171,1.647642007,0.844642887,0.879407858,0.803168886,0.868661841,0.802109815,0.839200367,0.84815188
1660,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+11.694009,314.2086,11.694009,2.130626866,2.044103178,2.355694524,2.068439867,2.324643555,1.926837817,2.331085689,2.456782015,2.115002159,2.864519387,2.237199688,2.738247198,2.035549538,2.728366112
1661,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+4.5560164,170.0919,4.5560164,0.682401985,0.704383462,0.450843206,0.746739008,0.53864681,0.693881767,0.609741204,-0.260585172,-0.359768335,-0.142261398,-0.291033323,-0.211784428,-0.312870794,-0.226874706
1662,C25 H38 O5,Cavipetin D,418.2768,13.441974,0.59881138,0.604801769,0.424666731,0.458536328,0.589440919,0.513182415,0.537608395,-0.289610799,-0.36053058,-0.205004745,-0.200559691,-0.42175557,-0.284285089,-0.293044481
1663,C44 H78 N O9 P,"PS(P-18:0/20:4(5Z,8Z,11Z,14Z)) Esi+13.761976",812.5648,13.761976,0.489465402,0.606288906,0.122102174,0.605978767,0.170281003,0.39816135,0.389185991,-0.167268614,-0.249229792,-0.069490367,-0.165374095,-0.184201679,-0.121135078,-0.197012605
1664,C12 H21 N O17 S2,"3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine",514.023,12.368974,0.117931996,0.038478973,0.336251982,0.071311201,0.277099085,0.168123707,0.199778587,0.0992836,0.078042761,0.124623549,0.11839746,0.057062883,0.13658691,0.075232783
1665,C37 H64 N3 S2,C37 H64 N3 S2,612.4515,15.281986,0.935976687,1.047830383,0.644213664,0.831193861,0.961995557,0.847492992,0.895441138,-0.813826264,-1.030552609,-0.555275535,-0.684569086,-1.001669587,-0.797989189,-0.824037009
1666,C16 H26 N6 O5,Leu His Asn,382.1967,9.316007,0.401164027,0.396125682,0.428250427,0.408001957,0.440713455,0.232826528,0.453893934,-0.297160998,-0.315388798,-0.275415551,-0.247130697,-0.391919996,-0.20629924,-0.35574292
1667,C20 H23 N O28 P,C20 H23 N O28 P,756.0143,11.93799,0.498931052,0.366974431,0.670242013,0.477678643,0.508842172,0.533811706,0.5018684,0.282521388,0.253394154,0.317269668,0.308284219,0.222169012,0.333798289,0.249461281
1668,C13 H18 O4,Benzyl b-L-arabinopyranoside,238.1203,8.699979,0.247744237,0.438992033,0.11941956,0.32716245,0.081925477,0.538171686,0.006670387,-0.144759856,-0.28059501,0.017289101,-0.257008283,0.002907286,-0.318215484,-0.032926622
1669,C10 H26 N6 O2,Spermine NONOate,262.214,10.907977,0.1797104,0.272504562,0.066789934,0.154959112,0.129208638,0.237218344,0.045310565,-0.076800372,-0.19129779,0.059793038,-0.075701321,-0.102460216,-0.097344451,-0.063554848
1670,C31 H46,C31:9 hydrocarbon,418.364,16.218014,0.177399847,0.306503888,0.068156432,0.125630246,0.053503495,0.150226661,0.113955279,-0.125709515,-0.172744577,-0.069597511,-0.21034832,-0.013830708,-0.131251823,-0.122136185
1671,C37 H47 N O4,Janthitrem C Esi+12.385988,569.3526,12.385988,1.574947031,1.576936883,1.285975544,1.630634452,1.241630846,1.46352705,1.427745087,-1.236149459,-1.34259879,-1.109157273,-1.288484458,-1.153587376,-1.275236135,-1.210948838
1672,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+8.863014,440.2022,8.863014,1.177883377,1.180480596,1.06742142,1.214274165,1.019400579,1.322470737,0.983576916,1.561996224,1.511811702,1.621865477,1.633671232,1.408022931,1.760788602,1.433827453
1673,C30 H48 O9,Lithocholate 3-O-glucuronide Esi+12.80803,552.3272,12.80803,0.074108467,0.05806037,0.14211097,0.095102161,0.045950847,0.165730084,0.018721356,-0.242948229,-0.124802147,-0.383894432,-0.338081842,-0.077602723,-0.406333159,-0.137607946
1674,C48 H80 N6 O15,C48 H80 N6 O15,980.5681,14.242978,0.123928645,0.316484851,0.24952425,0.128128357,0.051169187,0.143804532,0.062462098,0.001351373,-0.194423508,0.23490737,0.01166327,-0.035861031,-0.071532162,0.048342073
1675,C31 H54 O9,C31 H54 O9 Esi+13.163021,570.3768,13.163021,1.854505664,1.699223265,1.878341658,1.878884619,1.719356947,1.668807984,1.892390086,2.653168066,2.438627954,2.909110657,2.645091557,2.645607309,2.46098728,2.7770741
1676,C45 H80 N O10 P,"PS(17:0/22:4(7Z,10Z,13Z,16Z)) Esi+12.592025",824.5461,12.592025,1.063769456,1.050743526,1.139585164,1.062825907,0.968670481,1.168692942,1.056996844,0.632407022,0.677002394,0.579205526,0.678217952,0.539385063,0.755273307,0.553190602
1677,C27 H43 N O8,NKH477,508.285,5.978017,0.647748229,0.937403869,0.248244766,0.742618773,0.407262011,0.95173775,0.413931852,0.260430136,0.433084974,0.054455943,0.333766644,0.137880519,0.464581882,0.128805984
1678,C23 H32 N4 O4,Nummularine F Esi+12.875 :1,428.2412,12.875,1.769739864,1.439441374,2.047557719,1.592049465,1.926437802,1.599314584,1.833994164,2.501972523,2.189950878,2.874208871,2.288715392,2.807405093,2.293674351,2.636270028
1679,C15 H29 N O5,C15 H29 N O5 Esi+5.843995,303.2039,5.843995,1.040296714,1.215593453,0.628258158,0.895240131,1.104742173,1.196070167,0.871673487,0.655189729,0.893390286,0.371020643,0.568393428,0.775229108,0.796475141,0.564097819
1680,C9 H9 N O3,1-(4-Methoxyphenyl)-2-nitroethylene Esi+4.531005,179.058,4.531005,0.214998347,0.195188111,0.288901679,0.254890637,0.120460913,0.17847529,0.268425604,-0.207071594,-0.059811816,-0.382749925,-0.187703732,-0.243596173,-0.076882185,-0.291009502
1681,C44 H72 O13,Hebevinoside I,808.4945,14.269029,0.214112205,0.388661811,0.100349588,0.242661043,0.157769445,0.185599845,0.157080149,-0.180688146,-0.42298166,0.108363765,-0.187110247,-0.195772655,-0.224003294,-0.152761275
1682,C11 H15 N3 O6,N4-Acetylcytidine,307.0776,3.1049967,1.011648164,1.006978222,1.004886868,1.037318297,1.015719723,0.996853999,0.990970645,0.42699087,0.500925453,0.338788208,0.424139898,0.481326743,0.46687695,0.401274844
1683,C28 H55 N8 O4 P,C28 H55 N8 O4 P Esi+13.729003,598.4079,13.729003,0.881326598,0.669604909,0.967095035,0.716879062,0.857748597,0.654398347,0.894414491,0.916255286,0.82420026,1.026075318,0.921453034,0.897033929,0.923052357,0.911872965
1684,C44 H85 O12 P,PI(P-20:0/15:0),835.5673,12.610028,0.240919345,0.313710787,0.004289099,0.284252934,0.041240594,0.096279166,0.248376778,-0.066715222,-0.118460537,-0.00498397,-0.070352216,-0.085844376,-0.000699054,-0.109278278
1685,C31 H61 O8 P,PA(16:0/12:0),591.3969,12.816991,2.27846316,2.106173037,2.368923038,2.248105783,2.280513803,2.074959473,2.357072139,4.957693209,4.564360957,5.426931684,4.825070522,5.114185429,4.683736428,5.134323238
1686,C49 H80 N3 O15,C49 H80 N3 O15,950.557,14.352034,0.464973544,0.520306713,0.295708034,0.462940059,0.4370736,0.318729167,0.480553754,-0.315776872,-0.431495756,-0.177726274,-0.245709175,-0.442760182,-0.215893729,-0.380175214
1687,C15 H25 O3 P,C15 H25 O3 P,284.1311,5.4449916,0.858267402,0.734457023,1.144327986,0.845874076,1.170966382,1.12262964,0.802953039,0.502616081,0.34712205,0.688117732,0.390481879,0.669288036,0.454169448,0.53385141
1688,C35 H58 N4 O3 S,Arachidonic Acid-biotin,636.404,10.104985,0.781683386,0.985988389,0.537916956,0.863512175,0.555781491,1.055273864,0.615863665,0.473311363,0.623898476,0.293663579,0.548912674,0.331667056,0.688328808,0.334681694
1689,C28 H24 O17,8-C-Ascorbylepigallocatechin 3-gallate,649.1295,10.254006,0.649170735,0.55317575,0.717262462,0.648440444,0.625511181,0.775004787,0.545218023,0.871416845,0.843495656,0.904726333,0.897489175,0.804827145,1.008751856,0.782871903
1690,<none>,<none> Esi+6.3800044,444.7824,6.3800044,1.097137045,0.910000046,1.279971018,0.856412762,1.3725326,0.858228258,1.175083507,0.944940106,0.609027268,1.345678229,0.671763654,1.323720844,0.608989617,1.161539764
1691,C28 H40 O,"(22E, 24x)-Ergosta-4,6,8,22-tetraen-3-one",392.3128,13.509019,0.247491484,0.461837063,0.139436898,0.167614756,0.181237611,0.545521092,0.021045335,-0.050620403,-0.202624245,0.130717514,-0.026976453,-0.079211612,-0.195712693,0.042925942
1692,C30 H44 O5,21-Hydroxyisoglabrolide Esi+7.2540197,501.3509,7.2540197,0.612332618,0.424833008,0.884687602,0.704157253,0.474427775,0.38513621,0.687432984,-0.301386145,-0.185073253,-0.440145384,-0.280819738,-0.351239776,-0.147987908,-0.400287639
1693,C14 H25 N O4,C14 H25 N O4,271.179,5.758012,0.685973956,0.431389233,1.021033946,0.396836019,1.11573986,0.226303392,0.989792924,0.654611056,0.504131265,0.834130807,0.530854733,0.830091503,0.373209412,0.836041064
1694,C29 H44 O9,Corchorosol A,536.2957,12.189962,1.963574769,1.740812743,2.239780684,1.846383824,2.138507464,1.810909399,2.091648944,2.675950901,2.403344955,3.001165012,2.571325181,2.809224682,2.520476742,2.77619082
1695,C36 H60 O5,"DG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] Esi+11.749019",571.4284,11.749019,0.101284199,0.12735948,0.022291307,0.123628478,0.00716923,0.012349289,0.080550692,-0.012758656,-0.023606099,0.000182154,0.021595017,-0.07428229,0.059622252,-0.059425293
1696,C42 H76 N O9 P,"PS(P-18:0/18:3(9Z,12Z,15Z)) Esi+12.76398",769.5286,12.76398,0.326532236,0.446190461,0.203047967,0.460157615,0.095454047,0.43595518,0.179034449,-0.153830453,-0.191732455,-0.108614029,-0.201532356,-0.108840546,-0.229155021,-0.105265929
1697,C38 H74 N O9 P,PS(P-20:0/12:0) Esi+9.0909815,719.502,9.0909815,0.698834218,0.6479992,0.75129341,0.892321434,0.44361973,0.770476736,0.613035768,-0.502784952,-0.430841669,-0.588612028,-0.566881286,-0.436778421,-0.44285418,-0.541424529
1698,C20 H16 N10 O20 P,C20 H16 N10 O20 P,747.0273,13.987042,0.524317156,0.642398795,0.156165412,0.592424765,0.26652823,0.377763363,0.467133406,-0.189377665,-0.272877323,-0.089764037,-0.186928334,-0.205998496,-0.125049418,-0.230852456
1699,C12 H16 N6 O3,Histidinyl-Histidine,292.1284,7.477019,0.448048548,0.367523323,0.39895392,0.594157418,0.184219497,0.294781261,0.426135175,-0.363681368,-0.222438872,-0.532181187,-0.447423561,-0.292713702,-0.182816433,-0.480291654
1700,C38 H58 O12,Hovenidulcioside A2 Esi+14.554984,706.3904,14.554984,0.204400514,0.037447285,0.437216382,0.226124796,0.193396188,0.26902989,0.21401134,0.251704304,0.134632841,0.391368506,0.269579974,0.22545399,0.288693142,0.227856238
1701,<none>,<none> Esi+12.587969,420.787,12.587969,1.870439317,1.93311447,1.8468901,1.929538416,1.832002476,1.935421509,1.893649713,1.010556466,1.066990729,0.943231379,1.038417576,0.95449255,1.063146402,0.976649796
1702,C23 H34 O4,"Androst-4-ene-3alpha,17beta-diol diacetate",382.7538,7.7359867,0.394523,0.264663803,0.631122011,0.50526827,0.291198443,0.194056325,0.49526374,-0.20362746,-0.101675566,-0.325254281,-0.205150611,-0.224054484,-0.063974092,-0.293667132
1703,C12 H26 O5,C12 H26 O5 Esi+5.8540034,250.1776,5.8540034,0.796442807,0.74864475,0.883567698,0.618335663,0.919820989,0.551187712,0.98686139,0.289756132,0.293171478,0.285681684,0.292362824,0.2810721,0.272889083,0.30063094
1704,C23 H39 N O,Macamide B,345.3007,11.184,0.149088903,0.027680098,0.263980686,0.158789671,0.128213317,0.207760312,0.109100273,0.064655069,0.014194612,0.124853508,0.068587087,0.055787498,0.14420249,0.013367915
1705,C25 H38 O4,"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)",410.7847,9.654027,0.533709983,0.490045186,0.60465017,0.726699601,0.304771631,0.395399937,0.525026678,-0.276103228,-0.225323333,-0.336682751,-0.270868039,-0.300427785,-0.143808771,-0.361398338
1706,C6 H12 O6,D-Fructose Esi+0.97000104,202.0453,0.97000104,0.711137926,0.6935466,0.664242175,0.65651097,0.66030253,0.511267117,0.776778442,0.655103555,0.783835497,0.501528606,0.667537811,0.625567342,0.667541334,0.64708446
1707,C24 H48 N O7 P,PE(19:1(9Z)/0:0) Esi+11.581031,493.3172,11.581031,0.323060121,0.451874033,0.019757487,0.349971688,0.251573121,0.211797292,0.262324194,-0.311338056,-0.451089179,-0.144617419,-0.288254698,-0.387240324,-0.19406091,-0.386950953
1708,C16 H32 N O4,"2,6 dimethylheptanoyl carnitine",301.2243,7.7199793,0.358155773,0.498453295,0.230192816,0.598734304,0.060317968,0.510678463,0.227943769,-0.229350988,-0.243934002,-0.211953708,-0.286370257,-0.155787486,-0.284600883,-0.193729344
1709,C30 H48 O5,21beta-Hydroxyhederagenin Esi+13.760988,505.3708,13.760988,0.329715932,0.410470508,0.045503495,0.418648646,0.144851632,0.216453293,0.25366528,-0.087851613,-0.124784684,-0.043791108,-0.064727955,-0.133401467,-0.015336652,-0.134604681
1710,C28 H57 N8 O4,C28 H57 N8 O4,569.4494,14.44196,1.07322147,1.207114506,0.699122672,1.044463405,0.951686764,1.163016848,0.923025766,-0.485110636,-0.644424558,-0.295051922,-0.472506766,-0.507700633,-0.541248667,-0.448916379
1711,C19 H30 N6 O6,Arg Thr Tyr Esi+10.340009,438.2233,10.340009,0.210082146,0.282544711,0.061539387,0.19683799,0.208714117,0.06695794,0.235827158,-0.186105042,-0.320523225,-0.025746507,-0.110937839,-0.3057402,-0.035945254,-0.282918589
1712,C45 H69 N2 O9,C45 H69 N2 O9,781.5023,13.089036,0.12538195,0.48323755,0.56542006,0.163694587,0.021915543,0.26924194,0.072385734,0.017525506,-0.12239151,0.184444051,0.027935281,0.006796166,-0.050112717,0.06113436
1713,C19 H40 O4,C19 H40 O4 Esi+14.218995,332.2921,14.218995,0.051163984,0.18803655,0.218080781,0.006477276,0.009582611,0.0933395,0.075591613,-0.1153421,-0.235701621,0.028244697,-0.156935618,-0.047797368,-0.200612283,-0.060365272
1714,C14 H24 N2 O2,Lupanyl Acid,252.1831,8.24598,0.845159669,1.253588318,0.421239511,1.027517066,0.664200515,1.510439784,0.466193113,-0.556688356,-0.732963433,-0.34639528,-0.679745842,-0.36570985,-0.780031933,-0.412690522
1715,C17 H4 N2 O20 S,C17 H4 N2 O20 S,587.9072,11.365983,0.292581373,0.192176676,0.441344358,0.153498854,0.373885029,0.301410407,0.302463362,0.188496896,0.176359876,0.202976148,0.182941728,0.169755622,0.232976003,0.159819578
1716,C16 H28 O6,Perilloside C Esi+10.729003,316.1874,10.729003,0.338425009,0.135381215,0.642134475,0.32212601,0.354733504,0.39507712,0.33116778,0.421464253,0.232019394,0.647468647,0.482037609,0.347731071,0.466266555,0.392578558
1717,C41 H66 O14,Dihydrodigoxin Esi+13.520997,782.4437,13.520997,2.073459508,1.898269184,2.250502,2.038457835,2.165396375,2.019060589,2.15143028,2.379240395,2.169384352,2.629594972,2.291313862,2.482052346,2.231793333,2.474304948
1718,C21 H3 O17 P S,C21 H3 O17 P S,589.8833,11.371011,1.578935482,1.462327361,1.743758235,1.45214506,1.622803265,1.410966015,1.746734928,1.171886311,1.220899707,1.11341419,1.183775817,1.126883878,1.182656384,1.164942449
1719,C44 H83 O8 P,"PA(22:2(13Z,16Z)/19:0)",769.5705,15.64403,1.854694938,2.006121711,1.942398806,1.891480834,2.049160743,1.83822082,2.063240042,1.268993753,1.309114589,1.221130299,1.251993427,1.28221421,1.178387883,1.327410695
1720,C19 H30 O8,Sonchuionoside C,386.1948,10.983976,1.789636688,1.535993235,1.962156802,1.714877215,1.844544089,1.690584491,1.814593631,2.170600126,1.845394843,2.558564322,2.022574214,2.378842149,2.06958413,2.235728859
1721,C12 H22 O5,Dibutyl malate Esi+7.3740153,246.1469,7.3740153,0.013156435,0.057789864,0.178965054,0.059889769,0.142568365,0.090997792,0.159228101,-0.068804885,-0.20757797,0.096748971,-0.13742456,0.028080105,0.03689579,-0.136954004
1722,C45 H86 N O10 P,PS(22:1(11Z)/17:0),853.5781,13.631032,0.130165552,0.180776396,0.051269894,0.181272939,0.065943791,0.00492915,0.106325549,0.006446008,-0.017938203,0.035535944,0.018310637,-0.034582147,0.085057922,-0.044237989
1723,C19 N2 O10 S,C19 N2 O10 S,447.9271,5.013,1.470660645,1.657213649,1.317738024,1.487228085,1.699215623,1.462986586,1.627259088,-1.900606756,-2.063251487,-1.706574445,-1.751844284,-2.072608785,-1.63100379,-2.07442972
1724,C22 H39 N O5,PGF2?-EA,397.2859,10.60898,2.00722296,2.066919018,1.891100922,2.055892418,2.098310499,1.948834134,2.092298088,-2.148724425,-2.253485325,-2.02374651,-1.997979842,-2.401226347,-1.830108547,-2.354147821
1725,C29 H50 N6 O8,C29 H50 N6 O8,610.3693,13.191967,1.692705802,1.456024719,1.703206896,1.479131612,1.71698925,1.443141701,1.717179652,2.80419241,2.59746237,3.050817721,2.65900488,2.994159577,2.583620574,2.946403199
1726,C33 H42 N4 O6,I-Urobilin,590.309,7.119011,0.188063987,0.659997091,0.386615594,0.274710315,0.138391969,0.470539197,0.045057879,-0.101735424,-0.657169688,0.56088791,-0.12622149,-0.005280029,-0.394867288,0.087257489
1727,C21 H35 N O,Funtumine Esi+12.18701,334.2982,12.18701,0.902600233,1.212438833,0.437160892,0.981177152,0.885869238,1.164271906,0.737142871,-0.29700173,-0.421295566,-0.148721364,-0.260818907,-0.335665231,-0.382353966,-0.241971999
1728,C42 H72 O13,Ginsenoside Rg3 Esi+14.204034,784.4976,14.204034,0.363478888,0.489184917,0.10891064,0.406746359,0.268395615,0.378633569,0.273385064,-0.255573807,-0.455275964,-0.017332638,-0.235415824,-0.280210162,-0.327108747,-0.209452596
1729,C14 H42 Cl N17 O,C14 H42 Cl N17 O,499.3472,12.43701,0.174776483,0.071709887,0.121310015,0.354522246,0.209947527,0.056643009,0.13435622,-0.015960211,0.042565108,-0.08577989,-0.073182857,0.04566931,0.020262573,-0.039314375
1730,C20 N2 O21,C20 N2 O21 Esi+12.38796,603.8993,12.38796,1.392388468,1.318415967,1.660857894,1.343419202,1.434164401,1.271166391,1.553048501,0.799473327,0.795464105,0.80425626,0.825340222,0.741653451,0.805973498,0.795282428
1731,C12 H20 O5,C12 H20 O5,244.131,5.8790174,0.942909015,0.65770962,1.284017975,0.738248064,1.059815258,0.702697764,1.124088589,0.823655138,0.643683674,1.038357937,0.770134234,0.87588675,0.736762958,0.879677728
1732,C23 H32 N2 O2 S,Thiocarlide,400.2127,9.864992,0.152613131,0.356829909,0.167448013,0.165119597,0.052194683,0.266631193,0.050571846,-0.095652151,-0.370804611,0.232599907,-0.069128487,-0.110196743,-0.246692047,0.001728835
1733,C29 H64 N8 O S3,C29 H64 N8 O S3,636.4343,15.258039,0.161430364,0.016767078,0.517850554,0.431217262,0.018789904,0.326671294,0.135166781,0.188097171,0.018511344,0.390410087,0.290614486,0.032789355,0.208494535,0.174946239
1734,C17 H22 N4 O5,Trp Thr Gly,362.1553,4.6040034,0.280193329,0.244381732,0.209874579,0.406618603,0.098420279,0.298155925,0.234253273,0.289357317,0.287246984,0.291874907,0.357090098,0.18390704,0.220046761,0.334044386
1735,C37 H66 O7 S,"2-(9R-(5Z,9Z-tetracosadienoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid",653.4447,11.211005,0.025453805,0.140343627,0.190350778,0.104553266,0.083257164,0.082718842,0.028872197,0.015850742,-0.027150658,0.067150658,0.028606521,-0.02750139,0.0918744,-0.033164511
1736,C12 H2 O22 P,C12 H2 O22 P Esi+12.1289835,528.8762,12.1289835,0.755767376,0.592832782,0.906341706,0.656467443,0.752059217,0.721137389,0.769135376,0.410398715,0.37081892,0.457616716,0.40643087,0.396601616,0.438561414,0.392241185
1737,C10 H18 O5,5-hydroxysebacate Esi+5.5489926,218.1152,5.5489926,0.115089324,0.188283695,0.038633009,0.263466853,0.013295014,0.026507023,0.117121383,-0.096178561,-0.18619443,0.011208791,-0.146696849,-0.035265876,-0.020181844,-0.145176445
1738,C24 H40 O6,"3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid",432.7979,9.636984,0.379283318,0.327199746,0.436254904,0.524455779,0.173270109,0.183624661,0.400904361,-0.181747568,-0.147212969,-0.222946739,-0.188828016,-0.192303456,-0.055802611,-0.262948922
1739,C15 H8 N5 O18 P S,C15 H8 N5 O18 P S Esi+12.882018,608.9308,12.882018,0.344710863,0.471811537,0.047209293,0.511663557,0.091550134,0.365864098,0.214663004,-0.084054361,-0.140395628,-0.016840218,-0.082898129,-0.09842291,-0.059647729,-0.099790216
1740,C52 H85 N O8 P,"PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",440.7954,8.677984,0.520640229,0.391314853,0.733901613,0.676586515,0.313753584,0.345077824,0.545924119,-0.273662803,-0.177152376,-0.38879805,-0.292350223,-0.269791262,-0.137154256,-0.361674892
1741,C22 H37 N2 O,C22 H37 N2 O,345.2898,10.29397,0.744518273,0.722377948,0.781956087,0.750162951,0.768139533,0.801144624,0.760540176,0.657806442,0.728734831,0.573190119,0.671057786,0.623558963,0.710656087,0.623732329
1742,<none>,<none> Esi+13.291014,850.0846,13.291014,0.146806142,0.249803367,0.184913848,0.171427316,0.089000277,0.034207723,0.099175063,-0.000499906,-0.065021668,0.076473425,0.000906838,-0.018183008,0.036010361,-0.024039419
1743,C16 H28 O4,(10S)-Juvenile hormone III diol,284.1991,10.019022,0.015417402,0.17285357,0.174605342,0.063242495,0.03424582,0.03869111,0.015888787,0.067449984,-0.064737643,0.225147504,0.077351858,0.074415379,0.031681019,0.090511553
1744,C21 H52 N17 P,C21 H52 N17 P,573.4347,11.825993,0.25058399,0.109714568,0.51036504,0.174824662,0.347799141,0.300722142,0.267413514,0.135217981,0.083905614,0.196432734,0.119288664,0.131645847,0.191754667,0.098766696
1745,C28 H42 N4 O6,Kukoamine D Esi+15.87402,530.3158,15.87402,1.797409951,1.920414295,1.575207886,1.751375413,1.904217197,1.932621403,1.750999684,-1.363800249,-1.56788863,-1.120326391,-1.257473872,-1.525374491,-1.405633139,-1.336829044
1746,C20 H32 F2 O5,RU-0211,390.2226,5.8979893,0.338507904,0.634442981,0.140895473,0.359034199,0.151459674,0.589012758,0.115367069,0.102056746,0.270843126,-0.099302444,0.155641047,0.00628449,0.270962327,-0.006842904
1747,C20 H32 O8,Cincassiol B Esi+11.581033,400.2097,11.581033,2.038059864,1.751591134,2.316440702,1.914958102,2.186895249,1.895738649,2.127596966,2.678145832,2.34016367,3.081352621,2.493074242,2.931779594,2.491989331,2.798167786
1748,C40 H70 N O10 P,"PS(12:0/22:4(7Z,10Z,13Z,16Z))",754.4676,8.557994,0.501280718,0.739797371,0.101905245,0.514987247,0.269194074,0.829089968,0.235615101,0.229085132,0.384611265,0.043545183,0.295347541,0.108711528,0.445046664,0.089846775
1749,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid",226.1203,6.218995,0.473509529,0.29546924,0.688896544,0.37689006,0.500170153,0.572907058,0.387947816,0.289175156,0.189201713,0.408441718,0.302863163,0.264731113,0.383129173,0.228599539
1750,C41 H70 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)",735.4891,13.30397,0.710181101,0.698458907,0.622178956,0.6111366,0.72029087,0.613776704,0.753499333,0.544199905,0.532057712,0.558685329,0.574680796,0.469115546,0.543780575,0.544470263
1751,C22 H32 O5,"11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid",398.2067,10.534009,2.497678532,2.320950769,2.63257508,2.400467715,2.635624864,2.298007685,2.602006893,2.264264559,2.071668283,2.494028537,2.103446181,2.477213273,2.062296974,2.394480502
1752,C18 H32 O6,"2,3-dinor Thromboxane B1",344.2179,10.412991,0.905707317,1.028657547,0.612402723,0.932220909,0.823295154,0.876363965,0.860729631,-1.060327407,-1.353197822,-0.71093814,-1.036872497,-1.061887817,-1.319972107,-0.892924903
1753,C36 H9 N5 O13 P,C36 H9 N5 O13 P,749.9936,12.856993,1.422812918,1.384351497,1.375181342,1.415054916,1.258743247,1.376645077,1.416050236,0.849856926,0.873876261,0.821202282,0.87711779,0.792895088,0.883504808,0.828162898
1754,C13 H28 O6,C13 H28 O6 Esi+5.442994,280.1891,5.442994,0.181911574,0.097474682,0.581872917,0.151386873,0.376942902,0.027673162,0.34221265,-0.123388529,0.01503536,-0.2885258,-0.084160843,-0.211353587,-0.026490658,-0.185862157
1755,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+10.343013,228.1355,10.343013,0.149190482,0.123726109,0.113004798,0.069454301,0.195732639,0.067856642,0.197607821,-0.037253721,-0.044185872,-0.028983786,0.049065305,-0.164475245,0.121555644,-0.13964397
1756,C25 H51 N8 O4,C25 H51 N8 O4,527.4029,12.810037,1.587858139,1.732002434,1.603041498,1.783749113,1.77290481,1.879655436,1.619339254,-1.096751727,-1.258586865,-0.903685246,-0.986393013,-1.213007413,-1.096512418,-1.096906017
1757,C20 H52 N18 O6,C20 H52 N18 O6,640.4306,13.225026,1.247745506,1.199124854,1.252214477,1.100344826,1.287758255,1.125212893,1.319296556,0.698618176,0.736196923,0.65378739,0.704373969,0.67515093,0.706405661,0.693597298
1758,C43 H75 O8 P,"PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",749.5125,8.588996,0.643658384,0.561592772,0.776371154,0.818638725,0.365688328,0.588113687,0.605477306,-0.349190516,-0.271330235,-0.442076464,-0.387450751,-0.314008705,-0.253657865,-0.410783935
1759,C13 H16 O4,Ethyl vanillin isobutyrate,236.1024,6.488007,0.192328749,0.246132654,0.078848656,0.239071406,0.098980784,0.057861334,0.199327221,-0.111790587,-0.178581462,-0.032110245,-0.124180254,-0.100102514,-0.06269545,-0.143444032
1760,C16 H28 O3,"(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid",268.2009,10.069991,0.528035758,0.43928011,0.436354423,0.530881837,0.338719062,0.353080596,0.506898406,-0.43638854,-0.392734556,-0.488466978,-0.434835204,-0.450647584,-0.286997647,-0.532706353
1761,C21 H38 O4,Methyl acetyl ricinoleate,354.274,14.222968,0.602503125,0.480819247,0.588293917,0.684374616,0.43833063,0.319318153,0.711009251,0.371468447,0.274707581,0.486902462,0.397517296,0.339775432,0.190565943,0.488102956
1762,C38 H66 N4 O4 S2,C38 H66 N4 O4 S2,706.4688,12.976016,1.42778552,1.438083312,1.481760842,1.401555724,1.470994864,1.441449055,1.496627822,0.731498591,0.761176271,0.69609364,0.740500728,0.703184643,0.763969088,0.710563665
1763,C45 H87 O12 P,PI(P-20:0/16:0),849.5831,13.289005,0.446757642,0.536991349,0.129510885,0.502395219,0.174900191,0.327598773,0.373392018,-0.1457978,-0.213405463,-0.065143044,-0.142010165,-0.165097416,-0.095212255,-0.178412164
1764,C24 H46 O3,3-oxo-tetracosanoic acid,399.3707,13.249019,0.504224905,0.876849935,0.041838445,0.556567693,0.312580207,0.536265853,0.415467998,-0.236604443,-0.555626696,0.143983507,-0.324130802,-0.121693612,-0.369732713,-0.150771743
1765,C8 H16 O6,Dambonitol Esi+3.3289979,208.0949,3.3289979,0.876761038,0.808817491,0.881026348,0.966361131,0.773145446,1.12675944,0.706793907,0.472299127,0.500713502,0.438401277,0.500437548,0.449357482,0.605935277,0.386138978
1766,C15 H26 N6 O4,Ala Lys His Esi+9.495011,354.2026,9.495011,1.872715209,1.689404626,1.993135998,1.705211201,2.029099691,1.699387283,1.966917697,2.092931138,1.938415656,2.277265398,1.973801462,2.236117213,1.937053221,2.193431375
1767,C9 H17 N O2,Gabapentin Esi+5.4439816,171.1253,5.4439816,0.004550387,0.107131257,0.237949293,0.072426896,0.142987703,0.043753035,0.131090457,0.037098061,-0.030252095,0.117445615,0.127715073,-0.073594473,0.026879485,0.043686353
1768,C32 H65 N O8 P,PC(9:0/15:0)[U],622.4447,13.677001,0.46197385,0.582223754,0.127777411,0.565225397,0.267903843,0.381251986,0.368216867,-0.145198353,-0.202646767,-0.076663402,-0.121173684,-0.192375918,-0.083611762,-0.184905497
1769,C27 H36 N8,C27 H36 N8,472.3036,13.458986,1.211320678,0.984368412,1.567040815,1.2051583,1.339252942,1.22620513,1.247081977,1.652173654,1.326815007,2.040320812,1.579144735,1.763622908,1.607727268,1.680829876
1770,C27 H49 N O8,C27 H49 N O8 Esi+14.385009,515.347,14.385009,0.171611692,0.189364473,0.238511374,0.342990001,0.016674825,0.530661002,0.057569616,0.312092674,0.300238506,0.326234488,0.43259067,0.133564011,0.61071977,0.119556783
1771,C30 H61 N O7 P,PC(22:1(11Z)/0:0),578.4184,13.873031,0.365172332,0.412454906,0.137949234,0.429709581,0.214581789,0.211592128,0.318786482,-0.111049246,-0.131892642,-0.08618344,-0.075193534,-0.174663424,-0.017122149,-0.171607506
1772,C27 H61 N19 O3 P,C27 H61 N19 O3 P,728.4734,14.12697,0.592808366,0.537354589,0.553670634,0.566506096,0.509156569,0.548643289,0.587389056,0.433522751,0.423274441,0.445748804,0.449111202,0.410667294,0.450329949,0.422686531
1773,C37 H67 O10 P,"PG(18:3(9Z,12Z,15Z)/13:0)",701.4358,14.472968,0.487885226,0.698206751,0.125078431,0.445577894,0.441801371,0.413417687,0.427194737,-0.31088709,-0.546661197,-0.029612716,-0.285842807,-0.345887134,-0.305386543,-0.314433495
1774,C14 H28 O4,"3,11-dihydroxy myristoic acid",260.202,8.762969,0.562886122,0.61109783,0.58085783,0.610840832,0.566666526,0.967001548,0.352449515,0.432366403,0.450140338,0.411162409,0.48237813,0.360089777,0.708384477,0.254407381
1775,C9 H4 Cl8 O,Isobenzan,406.7709,11.239012,1.353507809,1.381923212,1.349268448,1.3362057,1.397820395,1.24331445,1.508335879,0.763102302,0.845568932,0.664721059,0.784061937,0.70377757,0.754931239,0.768370487
1776,C23 H44 N2 O4,N-stearoyl glutamine,411.319,10.275975,0.322892117,0.385427099,0.111762393,0.283821515,0.323902707,0.28081077,0.287135934,-0.216668839,-0.264102011,-0.160081897,-0.164289967,-0.313320856,-0.155056836,-0.256392367
1777,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",728.4838,12.918964,1.511888401,1.491558348,1.616683958,1.476861509,1.591603887,1.50056759,1.604069347,0.725159883,0.748307456,0.697545234,0.731657425,0.70028763,0.749228344,0.709642059
1778,C32 H50 O5,Tsugaric acid C,514.3635,15.73603,1.435052985,1.576385446,1.192655845,1.503577829,1.337565593,1.456124078,1.390639342,-1.25297806,-1.47300577,-0.990488862,-1.195905468,-1.354329936,-1.018598924,-1.404090924
1779,C9 H16 N6 O4,Decarbamoylneosaxitoxin,272.1256,8.053986,0.548954178,0.67698042,0.288240113,0.649346668,0.322944846,0.666309178,0.400085814,-0.734803117,-0.926864255,-0.50567755,-0.895349485,-0.516380776,-1.048248817,-0.532713127
1780,<none>,<none> Esi+11.561019,501.8314,11.561019,1.402697249,1.411434271,1.438251791,1.388390719,1.410450081,1.396422126,1.427641999,0.730846424,0.763436396,0.691967159,0.744467487,0.682660651,0.757183014,0.713866255
1781,C38 H60 O13,Alliospiroside C,724.4009,13.072999,0.85402643,0.733818941,1.116853851,0.997894392,0.749628294,1.007454144,0.801061427,0.896140435,0.762209751,1.055917391,1.014574088,0.707251539,0.941105121,0.867150045
1782,C41 H60 O9,Lasonolide A,696.4261,8.063989,0.317629519,0.19567396,0.440738879,0.310963041,0.174004605,0.374091043,0.23912932,-0.141172736,-0.050372919,-0.249495325,-0.153877969,-0.136680243,-0.120181421,-0.154706611
1783,C40 H48,Isorenieratene/ (Leprotene) Esi+12.104984,528.3749,12.104984,0.352750253,0.194614981,0.524247072,0.311545621,0.344675958,0.303949886,0.386412753,0.215673721,0.170183683,0.269942538,0.232523782,0.178459309,0.238088584,0.201222033
1784,C17 H28 N6 O5,His Ile Gln,396.2111,9.834982,0.329338683,0.327971714,0.282718013,0.34149286,0.174675248,0.455464044,0.266566258,0.308809407,0.348783066,0.261121533,0.430845465,0.12344691,0.448088093,0.219011306
1785,C12 H24 O8,C12 H24 O8 Esi+0.87899876,296.1416,0.87899876,0.049673336,0.064020868,0.043885739,0.067629855,0.162347568,0.003879065,0.135030548,0.151432755,0.152902322,0.149679587,0.171127869,0.07209915,0.143605908,0.156479011
1786,C15 O17 P S,C15 O17 P S,514.8603,10.971993,0.218494499,0.299247885,0.00344242,0.37768111,0.026461545,0.152073102,0.144247106,-0.051790659,-0.085518884,-0.011553479,-0.065347215,-0.055605779,-0.000742047,-0.08470358
1787,C30 H50 O5,Cycloastragenol Esi+15.220963,490.3632,15.220963,0.903886858,1.066777187,0.553739077,0.898899024,0.86613683,0.931602444,0.799809365,-0.546913281,-0.682294635,-0.385405701,-0.412427079,-0.751296017,-0.475238431,-0.593124698
1788,C42 H74 N O9 P,"PS(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+11.989012",766.5066,11.989012,1.345891718,1.27775941,1.360127654,1.336953848,1.181767688,1.356690955,1.302510604,0.904081655,0.945813383,0.854296434,0.947054978,0.814243699,1.027578829,0.824458477
1789,C5 H4 O3,"2,3-Dihydroxy-2,4-cyclopentadien-1-one",133.9954,1.0160028,0.148062509,0.373139507,0.004927738,0.336262847,0.162370189,0.365503505,0.033408663,0.042255741,0.083839132,-0.007352515,0.062665728,0.030188759,0.091416819,0.010559783
1790,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+15.74702",576.4741,15.74702,1.425544717,1.62843147,1.116260863,1.549473523,1.274533915,1.598982343,1.281173839,-1.365786862,-1.651659829,-1.024745428,-1.507881515,-1.180192983,-1.6004772,-1.214473355
1791,C21 H35 N O,Funtumine Esi+12.480973,334.2983,12.480973,1.158957447,1.441280927,0.780440482,1.218901991,1.157699411,1.39261237,1.026280773,-0.424634692,-0.545010586,-0.281028362,-0.371137091,-0.482925199,-0.497107208,-0.377908991
1792,C9 H18 O6,Isopropyl beta-D-glucoside,222.1072,4.091003,0.84155731,0.94553377,0.869145733,0.814796075,0.998918316,0.702002591,0.950400879,-0.787751018,-0.847621082,-0.716327082,-0.643875791,-0.952820387,-0.573100746,-0.926143956
1793,C31 H59 O12 P,PI(22:1(11Z)/0:0) Esi+13.725028,654.374,13.725028,0.455473916,0.212398108,0.800009135,0.325685357,0.591340327,0.295330784,0.620361799,0.379390413,0.220131648,0.569383325,0.323563427,0.451304114,0.251757224,0.461680232
1794,C48 H86 N O9 P,"PS(P-20:0/22:4(7Z,10Z,13Z,16Z))",850.6026,11.818031,0.237451839,0.163228713,0.429286925,0.218181439,0.282451986,0.391396002,0.227324481,0.170026691,0.136802878,0.209662118,0.2029485,0.100680986,0.268535022,0.106514741
1795,C40 H73 O10 P,"PG(16:0/18:3(6Z,9Z,12Z)) Esi+12.448979",743.4877,12.448979,1.417542196,1.391705497,1.477672428,1.357378367,1.454285053,1.358642972,1.507848906,0.783090173,0.818282337,0.741106538,0.791623506,0.747715525,0.812468972,0.764148578
1796,C26 H58 Cl N17 O3,C26 H58 Cl N17 O3,691.463,13.443041,0.785324626,0.950087508,0.590062708,0.803350459,0.707721085,0.821889696,0.814826116,0.588086067,0.703197429,0.450760231,0.617568407,0.527920205,0.602623382,0.578713324
1797,C8 H13 N2 O5 P,Pyridoxamine-5'-Phosphate,248.0531,3.315998,0.344046716,0.337024281,0.188942456,0.351659025,0.195340535,0.087274999,0.429917938,-0.373433897,-0.451720281,-0.280039615,-0.452574444,-0.228052728,-0.068102274,-0.570292444
1798,C12 H18 N3 O5,C12 H18 N3 O5 Esi+5.439987,284.1252,5.439987,0.849522841,0.903402971,0.905726264,0.989034974,0.906856389,1.341779806,0.631525631,0.437002994,0.379349943,0.505782074,0.422743617,0.461192151,0.572239678,0.349810922
1799,<none>,<none> Esi+12.607975,836.0695,12.607975,0.264636719,0.109923609,0.545806835,0.258636872,0.320354194,0.370330902,0.244428887,0.174208796,0.118038971,0.241218411,0.185328221,0.136545317,0.227834718,0.139634188
1800,C32 H56 O5,C32 H56 O5 Esi+16.072018,520.4143,16.072018,0.737308905,0.780395687,0.609094633,0.756773459,0.618356001,0.550442006,0.735222418,-0.857877664,-0.932320656,-0.769068481,-0.865765749,-0.869413893,-0.717947299,-0.948095925
1801,C28 H49 N O7,C28 H49 N O7,511.3501,13.385008,2.046811081,1.811213996,2.333078643,1.903449044,2.274485847,1.869057431,2.165366741,2.618241499,2.338744738,2.951676231,2.394320989,2.925112582,2.413076057,2.750519218
1802,C13 H4 N5 O17 P S,C13 H4 N5 O17 P S Esi+13.029035,564.9046,13.029035,0.390620677,0.5149061,0.094783445,0.57466886,0.113465763,0.414266428,0.253061401,-0.103032021,-0.14568031,-0.052153361,-0.106442051,-0.110338359,-0.081717705,-0.116774146
1803,C19 H35 N O4,CAY10580 Esi+9.685033,341.2562,9.685033,0.569390233,0.529684516,0.651800855,0.600703862,0.624852565,0.636864661,0.601102811,0.470954072,0.495845794,0.441258684,0.492083279,0.433968837,0.501382175,0.451335953
1804,C37 H58 N3 O11,C37 H58 N3 O11,720.4057,13.611024,0.276627434,0.411491601,0.056648532,0.284862867,0.231278103,0.172349424,0.295112393,-0.135148271,-0.336670104,0.105263739,-0.078779758,-0.229711777,-0.132849948,-0.136630085
1805,C30 H28 O10,"3,4-Dihydroxyrottlerin",548.162,14.762956,1.307391234,1.288573377,1.078004572,1.242298438,1.175366716,1.161124406,1.273598339,-1.407480706,-1.445521693,-1.362098476,-1.427306776,-1.377275778,-1.466386164,-1.369502188
1806,C11 H18 N2 O,C11 H18 N2 O,194.1416,4.6760125,1.114754877,1.212017275,0.936301257,1.214875834,1.061040391,1.33015836,0.998018443,-0.314737515,-0.343649878,-0.280245574,-0.322190676,-0.306895857,-0.344169103,-0.295761887
1807,C12 H20 O5,"Polyethylene, oxidized Esi+6.207001",266.1128,6.207001,0.822076381,0.679819706,1.051917244,0.719861168,0.900507882,0.788529499,0.83578121,0.691275607,0.57403447,0.831142226,0.69306209,0.675404441,0.683864605,0.696053753
1808,C10 H15 N O4,alpha-Allokainic acid,213.1,7.4429936,1.372665765,1.369542481,1.593464909,1.258314635,1.810275655,1.452989118,1.540988545,1.273225989,1.08749157,1.494803891,1.04992974,1.596744721,1.061414697,1.409788532
1809,C22 H43 N9 O P,C22 H43 N9 O P,480.3207,11.659,1.010304151,1.059911889,0.878357439,0.894536733,1.062525379,0.705045055,1.190172048,1.256772973,1.340280816,1.15714958,1.195528325,1.311335925,1.004124742,1.419664595
1810,C21 H38 O7,Erythronolide B Esi+10.947016,402.2641,10.947016,0.075705988,0.215577214,0.049842618,0.007390809,0.293099191,0.064903854,0.083412521,0.01952961,-0.105084337,0.168191863,0.232025224,-0.311587563,0.137092808,-0.056267715
1811,C22 H45 N O3,C22 H45 N O3 Esi+12.611019,370.3572,12.611019,0.523045654,0.934603896,0.097739639,0.584029887,0.30463331,0.616943108,0.382040459,-0.197614114,-0.541690561,0.212863051,-0.26128561,-0.113519367,-0.344515078,-0.102901651
1812,C42 H78 N O8 P,"PE(17:2(9Z,12Z)/20:1(11Z))",777.5252,11.877995,0.202258629,0.260315042,0.040455343,0.266916167,0.037793347,0.006352775,0.232419525,-0.038857608,-0.087236252,0.018857265,-0.044684715,-0.056045632,0.057003467,-0.100662775
1813,C30 H54 O5,C30 H54 O5 Esi+15.53704,494.3974,15.53704,1.750264787,1.836321163,1.65432119,1.837590288,1.656182685,1.846121554,1.669479333,-1.889563025,-2.148928414,-1.580144667,-1.942400793,-1.820813145,-1.913321317,-1.874245179
1814,C32 H67 N O7 P,LysoPC(24:0) Esi+12.814961,630.4424,12.814961,0.316329048,0.145734932,0.480104016,0.171743924,0.483800394,0.185483639,0.38551353,0.2921752,0.259399061,0.33127656,0.257979729,0.33455669,0.249778706,0.319509782
1815,C7 H16 O3,C7 H16 O3 Esi+4.555,148.1099,4.555,0.695385793,0.773648173,0.474110181,0.887742833,0.500619739,0.840787634,0.547691513,-0.334483576,-0.392774266,-0.264943806,-0.411911835,-0.235486915,-0.373356698,-0.309420642
1816,C32 H67 N20 O3 P,C32 H67 N20 O3 P,810.5434,13.354003,0.43743688,0.558567202,0.053901518,0.549905242,0.108939499,0.456311907,0.249809082,-0.13182762,-0.214639367,-0.033034658,-0.145343327,-0.126924445,-0.139563543,-0.126839985
1817,C6 H14 O4,C6 H14 O4,150.0889,1.9729979,1.112246514,1.157774361,1.030635512,1.342240146,0.858094356,1.423869957,0.852207616,0.343573865,0.384069915,0.295262787,0.3859549,0.281273515,0.477065596,0.257506827
1818,C26 H50 O4,Hexacosanedioic acid,426.3707,16.291014,0.767777377,0.728102722,0.778774922,0.808382909,0.618912089,0.90994223,0.641642324,-0.583404712,-0.584374456,-0.582247823,-0.682815068,-0.440363542,-0.795716056,-0.446519766
1819,C13 H28 O6,C13 H28 O6 Esi+5.442994 :1,280.183,5.442994,0.182537847,0.106915424,0.597907631,0.146001658,0.375606172,0.023143814,0.338350666,-0.118441189,0.019982003,-0.283577628,-0.080484704,-0.204407121,-0.021491188,-0.180948425
1820,C7 H14 O4,Potassium 2-(1'-ethoxy) ethoxypropanoate Esi+4.4069953,184.0714,4.4069953,0.753574946,0.753594753,0.664426151,0.615879453,0.762970532,0.653706415,0.732490999,-0.830898401,-0.884460364,-0.766999918,-0.649194192,-1.034947513,-0.746566935,-0.885270004
1821,C17 H20 O4,Angeloylsenkyunolide F,310.1195,7.31701,0.956429535,0.836217126,1.05786048,0.799402602,1.063553773,0.960880531,0.923161537,0.434967217,0.399899222,0.47680272,0.407925088,0.465434145,0.458695535,0.419668697
1822,C18 H16 N3 O25 P,C18 H16 N3 O25 P,704.9805,11.56901,0.06239744,0.105996576,0.122272533,0.16041264,0.156211435,0.084267509,0.078051927,0.021195753,-0.010108255,0.058540886,0.009902154,0.008105011,0.095033877,-0.026410406
1823,C31 H34 N2 O3 S2,C31 H34 N2 O3 S2 Esi+14.927982,546.2009,14.927982,0.859233392,1.142530161,0.339644148,1.03328664,0.507665886,0.989021512,0.706461589,-1.011863102,-1.361517479,-0.594731563,-1.148876735,-0.817709398,-1.23479437,-0.8681311
1824,C23 H40 O7,2-glyceryl-PGF2?,428.2791,11.767002,1.884122417,1.805250007,1.808568629,1.918642012,1.740090976,1.706990939,1.862199914,2.405036698,2.403847722,2.406455126,2.473151629,2.298266301,2.45044313,2.375761499
1825,C22 H43 N9 O P,C22 H43 N9 O P Esi+11.909,480.3289,11.909,0.258442902,0.257737467,0.21018182,0.367210031,0.060494916,0.461335364,0.13161366,0.344188327,0.352936118,0.333752367,0.492541138,0.120973156,0.532672083,0.222665906
1826,C30 H28 O10,"3,4-Dihydroxyrottlerin Esi+15.714045",548.1617,15.714045,1.267265458,1.353586651,1.002017865,1.347892816,1.032851857,1.247481633,1.186483972,-1.337732172,-1.47986653,-1.168168376,-1.40819755,-1.249650801,-1.445436131,-1.268291461
1827,C33 H44 O,Citranaxanthin,456.3415,15.211967,0.961759898,1.008224228,0.656473595,0.84580465,0.962996315,0.806166136,0.934824979,-0.470322694,-0.567081759,-0.354890827,-0.367163358,-0.626807318,-0.401907047,-0.514432783
1828,C23 H36 O8,3''-HydroxyPravastatin Esi+10.209981,440.2426,10.209981,0.026332438,0.037923477,0.083952265,0.104973449,0.064190492,0.21246239,0.107508554,0.048427054,0.022341846,0.079546249,0.059059669,0.014245472,0.177488445,-0.03478358
1829,C41 H77 N O8 P,"PC(15:0/18:3(9Z,12Z,15Z))",759.5699,13.930976,0.141390656,0.189177415,0.080412673,0.166162375,0.009330476,0.111577231,0.15610388,-0.016699622,-0.054212017,0.028052007,0.00830273,-0.068200609,0.105952763,-0.095778134
1830,C19 H45 N4 O5 P,C19 H45 N4 O5 P,440.3137,13.666993,1.620603117,1.383382941,1.566586461,1.522783044,1.459562149,1.226675989,1.648018211,1.007449809,0.928271093,1.101908627,0.991564746,1.034735992,0.901643963,1.075666735
1831,C34 H58 O5,C34 H58 O5,546.4278,15.9709635,1.519149199,1.640065718,1.346239834,1.614506684,1.412216305,1.546009232,1.479449317,-1.413154221,-1.650073996,-1.130513086,-1.471241966,-1.361869566,-1.437546824,-1.397427411
1832,C38 H56 N S2,C38 H56 N S2,590.3856,11.376974,1.692911169,1.628099052,1.622891255,1.692521908,1.645283214,1.576601162,1.727210067,1.395870721,1.426003706,1.359922598,1.411382745,1.344716513,1.382437005,1.404531932
1833,C11 H18 O4,C11 H18 O4 Esi+4.7620034,214.1185,4.7620034,0.265743853,0.336789461,0.099894362,0.401804892,0.026319777,0.297617313,0.171789966,-0.31431544,-0.510750834,-0.07997146,-0.577027963,0.035190094,-0.458099174,-0.221612769
1834,C15 H26 O5,C15 H26 O5 Esi+8.021981,286.1776,8.021981,0.896161454,0.698145926,0.969239928,0.620325161,1.141537401,0.530423284,1.057888954,0.910809228,0.773087248,1.075109133,0.685409905,1.218165737,0.595274673,1.11424598
1835,C36 H60 N4 O5 S,Carbaprostacyclin-biotin,682.4109,7.604987,0.580054627,0.791598416,0.176210396,0.531117782,0.406598383,0.760753453,0.365166064,0.212020751,0.354559579,0.04197443,0.246164629,0.142595036,0.361246391,0.115809483
1836,C14 H40 Cl N12 O,C14 H40 Cl N12 O,427.3109,8.719978,0.800346287,0.701227864,0.872912268,0.896832592,0.642242464,0.736812089,0.761097862,-0.426049192,-0.351793012,-0.514635512,-0.431000281,-0.442997264,-0.350870151,-0.47451989
1837,C27 H35 Cl N2 O4 P S2,C27 H35 Cl N2 O4 P S2,581.1454,9.786004,0.760034409,0.752981181,0.596187343,0.741697968,0.557430399,0.603597042,0.692791495,-0.918775203,-0.990606916,-0.833081229,-0.992924259,-0.869740561,-0.833469769,-0.973774759
1838,C12 H22 N6 O6,Gly Asp Arg,346.1592,5.2800174,1.048577846,0.764511391,1.454985171,1.062334915,1.262768105,0.960799618,1.206112055,-0.813526851,-0.531305973,-1.150211407,-0.653623692,-1.058777845,-0.607961951,-0.946062116
1839,<none>,<none> Esi+12.906986,865.0861,12.906986,0.038343549,0.112103724,0.179588079,0.08228704,0.177408107,0.074075864,0.035193728,0.049731317,0.004061373,0.104214757,0.049500711,0.029967255,0.096103593,0.019833402
1840,C16 H32 N6 O5,Lys Lys Asn Esi+10.319994,388.2461,10.319994,0.016436777,0.075045157,0.121275216,0.040641702,0.067827572,0.028497707,0.038220287,0.086234631,0.064971531,0.111601136,0.125851502,0.022288749,0.142177351,0.050166299
1841,C18 H38 O7,C18 H38 O7,366.2606,8.644019,0.658965813,0.667213844,0.679170935,0.821180981,0.494326925,0.712811256,0.587820491,-0.344711481,-0.294581645,-0.404515495,-0.404539285,-0.283791638,-0.334390637,-0.351365709
1842,C24 H50 N8 O4 P,C24 H50 N8 O4 P,545.3696,13.126971,1.406224097,1.582004327,1.343983379,1.348042383,1.613196741,1.585443427,1.459811358,0.629250827,0.70392876,0.540161363,0.614185211,0.636295228,0.669847402,0.60307672
1843,C12 H20 O5,"Polyethylene, oxidized Esi+4.5620084",244.1287,4.5620084,0.249689552,0.374771666,0.062138094,0.486211122,0.055316325,0.175642133,0.149942714,-0.193777795,-0.340946987,-0.018207531,-0.341370541,-0.012230104,-0.149376028,-0.22240525
1844,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+5.751994",226.1195,5.751994,0.685959887,0.489488076,0.943240201,0.532046513,0.727341291,0.773550323,0.60946388,0.308630347,0.228353916,0.404398721,0.298753216,0.314635853,0.399017504,0.250354417
1845,C12 H22 O5,Dibutyl malate Esi+7.1120257,246.1472,7.1120257,0.609996975,0.457764796,0.793483277,0.479780017,0.726839231,0.47196702,0.684485455,0.545324978,0.43804336,0.673310067,0.479842782,0.614360486,0.452689714,0.605050346
1846,C25 H51 N8 O3,C25 H51 N8 O3,511.4081,13.997016,0.604933269,0.710033162,0.259188638,0.504848959,0.62987052,0.673401241,0.488227841,-0.309799722,-0.433463584,-0.162270903,-0.251760573,-0.396782631,-0.33480199,-0.293679838
1847,C32 H60 N O10 P,PS(14:1(9Z)/12:0),666.4153,8.541014,0.470835462,0.686463948,0.12146846,0.44768297,0.36120472,0.663137476,0.317408124,0.197682455,0.333889147,0.035190262,0.231299175,0.128137593,0.341304248,0.105084194
1848,C12 H24 N O5,3-Hydroxyisovalerylcarnitine,261.1572,2.0539932,0.605590993,0.805553927,0.276597609,0.84175306,0.387513735,0.834963364,0.394480821,0.218348538,0.387712719,0.01630004,0.314191907,0.108998595,0.378072007,0.115368932
1849,C7 H16 N O3,Carnitine,161.1048,0.90899765,0.267568288,0.358538637,0.197154854,0.230093072,0.307587946,0.295573127,0.274125488,0.140231587,0.239074548,0.022313668,0.128024835,0.16072254,0.188621136,0.109033062
1850,C27 H50 O8,C27 H50 O8,502.3482,12.974033,0.266950531,0.027967098,0.650554388,0.340546286,0.240999485,0.101729399,0.403360664,0.253838453,0.050249997,0.496715908,0.276450792,0.214072544,-0.035795802,0.440576327
1851,C19 H4 N4 O21,C19 H4 N4 O21 Esi+12.309016,623.9362,12.309016,0.32725744,0.431522357,0.03950993,0.452126036,0.090450703,0.252591246,0.238871876,-0.083688486,-0.141936522,-0.014199601,-0.078865304,-0.108004853,-0.034483155,-0.115412975
1852,<none>,<none> Esi+12.760009,770.0301,12.760009,0.100038004,0.101808922,0.619351918,0.160676836,0.492754579,0.000556331,0.274241589,0.079456052,-0.031330147,0.211622043,-0.006657893,0.175613436,0.036666109,0.107044305
1853,C29 H62 N O6 P,PC(O-18:0/O-3:1(2E))[U],573.4054,9.537999,0.38662989,0.563784087,0.006137734,0.330271158,0.210524352,0.471748389,0.250628653,-0.294151134,-0.369129574,-0.204703171,-0.260559214,-0.294125309,-0.343336871,-0.262439278
1854,C22 H43 N O2,"Anandamide (20:l, n-9)",353.3288,14.606985,0.398628372,0.632497642,0.075679477,0.347230443,0.323046998,0.525349151,0.26434058,-0.177716975,-0.321200243,-0.006543953,-0.150353804,-0.223886365,-0.229549968,-0.144298334
1855,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+8.579986",705.4865,8.579986,0.545914366,0.503609935,0.580065733,0.761737891,0.2092576,0.64335887,0.398097349,-0.283801869,-0.239038651,-0.337203604,-0.351171678,-0.195576234,-0.28775642,-0.281252225
1856,C16 H28 O5,Tetranor-PGF1alpha Esi+9.282983,300.1932,9.282983,1.788407538,1.647769938,1.718861932,1.673293731,1.71380319,1.552752537,1.786684029,2.967247685,2.823688037,3.138511827,2.865362722,3.085749047,2.848813386,3.043606642
1857,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+15.73603",576.4739,15.73603,1.319344132,1.396882826,1.166669336,1.298048714,1.337043577,1.442552044,1.201315016,-1.159086124,-1.297085278,-0.994455555,-1.161631244,-1.167728746,-1.313346336,-1.059628882
1858,C24 H49 N8 O5,C24 H49 N8 O5 Esi+9.587995,529.3793,9.587995,0.568898976,0.596688828,0.493137125,0.506586033,0.618520156,0.522627845,0.605474727,-0.494923979,-0.454479889,-0.543173069,-0.350006394,-0.663354859,-0.403523061,-0.553853518
1859,C33 H34 N4 O6,Biliverdin IX,582.2484,9.652996,0.028347228,0.037907833,0.00729834,0.088072876,0.065658194,0.198279237,0.086979086,0.221072293,0.183743922,0.265604384,0.198774938,0.231164262,0.311871235,0.162530869
1860,<none>,<none> Esi+13.674016,835.0798,13.674016,0.248689373,0.336209909,0.056782721,0.289867744,0.016953065,0.064779393,0.202219487,-0.043055095,-0.104732681,0.030525183,-0.041237893,-0.063384901,0.021351195,-0.084580203
1861,C23 H32 N4 O4,Nummularine F Esi+12.697999 :1,428.241,12.697999,1.679773373,1.384337342,2.048754236,1.608690215,1.815394032,1.585547203,1.779529567,1.525342083,1.273742456,1.825496024,1.431113246,1.658977095,1.373111087,1.623491015
1862,C22 H47 N O7 P,LysoPC(14:0),485.3367,10.469976,0.286516626,0.271521049,0.210856982,0.406357333,0.084142298,0.109630703,0.313306668,-0.1148175,-0.111914518,-0.118280706,-0.137021239,-0.11130397,-0.002274185,-0.187378321
1863,C25 H48 N6 O2,C25 H48 N6 O2,464.3838,15.937989,0.999546451,1.047166841,0.804892286,0.900988764,0.95745779,0.919834373,0.940052216,-0.706907991,-0.890240774,-0.488195197,-0.675224314,-0.755944873,-0.707776908,-0.706347768
1864,C16 H15 O6,5-Methyl-6-hydroxyluteolinidin,280.0912,5.3890004,0.181713658,0.156034026,0.170772427,0.175676719,0.098256005,0.246733902,0.093588115,0.003827211,4.70E-05,0.008336887,0.019217963,-0.017574159,0.003070653,0.004314992
1865,C18 H36 N O4,"4,8 dimethylnonanoyl carnitine",329.2559,9.228021,0.063055926,0.018375713,0.070239848,0.151444223,0.314816481,0.256639428,0.227391719,-0.074370071,-0.12322418,-0.016087976,-0.230519727,0.139258823,-0.260132909,0.045398075
1866,C20 H33 N O,Fenpropimorph,320.2822,12.310038,1.358681504,1.609136186,0.977011962,1.481902398,1.298659412,1.601359373,1.16797584,-0.538116847,-0.680825708,-0.36786768,-0.522770934,-0.545071855,-0.643341947,-0.470274349
1867,C50 H81 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",871.5955,13.226016,0.63892101,0.699522887,0.331875526,0.700452252,0.314496888,0.532549937,0.544775751,-0.223056637,-0.308496459,-0.121128428,-0.224344536,-0.238335475,-0.190588798,-0.243989849
1868,<none>,<none> Esi+13.75902,813.0667,13.75902,0.000263028,0.110287297,0.307295352,0.025973277,0.197072698,0.17189979,0.023804699,0.05997041,0.01086202,0.118555858,0.071187966,0.030300351,0.122707254,0.019521655
1869,C26 H44 O8,Goshonoside F2 Esi+14.233956 :1,484.3048,14.233956,0.330973775,0.028447574,0.842748911,0.315457445,0.372949851,0.414962857,0.316575094,0.346242922,0.147911237,0.582849142,0.330211622,0.368939048,0.342943103,0.348370437
1870,C36 H56 O9,Lucyoside K,649.4239,6.775016,0.086062139,0.064625193,0.358082178,0.121524241,0.139736776,0.164355232,0.28381106,-0.081172404,0.03365639,-0.21816114,-0.056069409,-0.134582642,0.083073773,-0.187067965
1871,C13 H24 N7 O2,C13 H24 N7 O2,310.1989,5.1770015,0.085794113,0.162646599,0.473074657,0.037542711,0.265426603,0.135443481,0.274847333,-0.065356527,0.056961585,-0.21127989,-0.012071481,-0.155651018,0.067564184,-0.151055407
1872,C14 H31 N,Tetradecylamine,213.2448,9.975997,0.088443866,0.054118421,0.408019415,0.061015682,0.207367341,0.171303224,0.259878691,0.036157791,-0.039479178,0.126391368,0.058083626,0.047027479,-0.03816109,0.084073912
1873,C18 H21 N3 O4,"N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide",343.1535,8.189978,0.377961295,0.466336869,0.25540917,0.589741215,0.112800449,0.813531244,0.057235111,-0.578930505,-0.581442192,-0.575934107,-0.756254974,-0.327401448,-0.898726531,-0.372746225
1874,C34 H67 N O6 P S,C34 H67 N O6 P S,648.4412,13.121022,1.169621074,1.215076682,1.182646394,1.149339245,1.134802368,1.359647448,1.117289865,0.694071977,0.744843881,0.633501987,0.724081068,0.630631106,0.827892346,0.607793055
1875,C21 H32 N O S2,C21 H32 N O S2,378.1935,8.37902,0.673686064,0.728009118,0.653602564,0.53370106,0.860006685,0.981657514,0.480322344,-0.634081241,-0.616734523,-0.654775572,-0.589430361,-0.658280329,-0.914860066,-0.453052788
1876,C49 H87 N O17,C49 H87 N O17,961.5975,14.111024,1.404664342,1.550875653,1.051656269,1.482391051,1.17198222,1.473842888,1.297136903,-1.345657322,-1.614620075,-1.024789476,-1.363325232,-1.317642299,-1.426935573,-1.293254239
1877,C42 H58 O4,Peltatol A,625.428,13.691965,1.298273856,1.214525123,1.184224775,1.096437043,1.237120604,1.206590201,1.214301076,1.470827335,1.492416688,1.445071616,1.471412422,1.44902636,1.571233412,1.406091838
1878,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid Esi+16.159962,542.3948,16.159962,0.997748903,1.115597154,0.711738767,1.019050824,0.884075088,0.852088342,0.995782373,-0.660719096,-0.861941627,-0.420664146,-0.601350348,-0.757873432,-0.561695494,-0.72456326
1879,C23 H34 N4 O4,Leu Trp Leu Esi+10.805002,430.2558,10.805002,0.302343118,0.28083095,0.238260458,0.188059918,0.390613851,0.084840956,0.340791344,-0.242647073,-0.312229298,-0.1596367,-0.102621184,-0.44631931,-0.086257167,-0.343477407
1880,C39 H63 N5 O12,Onnamide A Esi+13.940978,810.4734,13.940978,1.293350084,1.096201176,1.525592227,1.142652642,1.458507506,1.159831338,1.397579111,1.100156094,0.960106509,1.267232792,1.02491788,1.199967276,0.969998365,1.184073577
1881,C49 H81 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",908.5469,14.56496,0.003585306,0.298656552,0.57018236,0.211814799,0.010014416,0.048629225,0.097357801,0.3334532,-0.160599953,0.922849945,0.451326936,0.187909244,0.301857309,0.353824236
1882,C20 H30 N7 O,C20 H30 N7 O,384.2508,13.676021,0.209114791,0.025211748,0.536505915,0.156008866,0.28092124,0.153104107,0.276852242,0.218885829,0.029305623,0.445051689,0.188482981,0.256052273,0.13386034,0.273704894
1883,C34 H52 O8,25-Hydroxyvitamin D2 25-(beta-glucuronide) Esi+6.6639776,610.353,6.6639776,0.653010569,0.922561963,0.199732489,0.69420275,0.416922372,0.927113378,0.392532062,0.245732121,0.414943165,0.043866313,0.300994287,0.147982449,0.437457301,0.122119833
1884,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.14798,468.2335,10.14798,1.135782856,1.185159575,0.886749796,0.813782518,1.261541972,1.03597081,1.058498102,2.390567995,2.746848887,1.965531142,2.163857651,2.654243311,2.469781468,2.339496151
1885,C6 H8 N6 O3,C6 H8 N6 O3,212.0655,4.1740074,0.5810054,0.285905502,0.756251692,0.341043926,0.69594409,0.474498418,0.595057729,0.465454637,0.26396674,0.705826163,0.37478894,0.604283983,0.439482917,0.482199562
1886,C44 H72 O11,Oligomycin D,399.2467,8.604986,0.563862895,0.752937447,0.227405452,0.548896417,0.366873976,0.83027772,0.339127359,0.251322266,0.386967571,0.089499797,0.303538058,0.15198396,0.43919173,0.130195902
1887,C32 H50 O7,Hovenidulcigenin B,546.3583,11.469976,1.253675259,1.284007903,1.203725473,1.227552824,1.189930656,1.170204287,1.290094797,0.714858081,0.778643175,0.638763582,0.728621788,0.669648531,0.705316964,0.72100959
1888,<none>,<none> Esi+6.4680104 :1,466.7954,6.4680104,1.001385258,0.776725447,1.222895588,0.724240575,1.293310474,0.723383676,1.107641498,0.832286617,0.504434562,1.223408368,0.584150996,1.171012793,0.500240727,1.046368836
1889,C34 H64 O13,13-sophorosyloxydocosanoic acid,680.429,10.088009,0.979453673,0.929153212,0.778544464,0.81865209,0.811997557,0.747803588,0.972226467,1.219987597,1.279880634,1.148536255,1.300441201,1.063931409,1.195984853,1.235463051
1890,C10 H17 N O,4-Butyl-2-ethyl-5-methyloxazole,184.1564,0.86700094,0.072897508,0.010436164,0.229240231,0.104997965,0.235830514,0.186106224,0.310852404,0.030406185,-0.014479663,0.083954214,-0.029521606,0.107749862,-0.072726442,0.09689959
1891,C43 H65 N O4,Acidissiminin Esi+13.056961,681.476,13.056961,0.560456407,0.676935495,0.295015498,0.743954112,0.27614873,0.595722464,0.411924581,-0.202066995,-0.248188747,-0.147044554,-0.211179099,-0.20228676,-0.189281591,-0.210310216
1892,C19 H O10 P S3,C19 H O10 P S3 Esi+12.732974,515.847,12.732974,1.487847931,1.430678684,1.627040431,1.373437077,1.64767537,1.277381227,1.669169484,0.764233193,0.770047561,0.757296753,0.720308168,0.801885138,0.665522737,0.82787546
1893,C46 H76 N6 O15,C46 H76 N6 O15,952.5376,14.004957,0.325495065,0.484974771,0.011987947,0.294387599,0.303557123,0.245654778,0.312135786,-0.253657332,-0.481944011,0.018684671,-0.176043193,-0.394478283,-0.243001086,-0.260527807
1894,C19 H18 N3 O24 P,C19 H18 N3 O24 P,703.0013,14.158989,0.073356543,0.116104176,0.102941773,0.068487847,0.000561099,0.040129935,0.077093047,-0.01515555,-0.046865971,0.022674425,-0.000345416,-0.037672542,0.024161852,-0.040504929
1895,C14 H24 N6 O4,Lys Gly His,340.1861,8.754014,1.720407328,1.504593149,1.918196814,1.522299106,1.934215454,1.45299287,1.881002114,1.56341018,1.400065164,1.758277919,1.428719444,1.733800145,1.379659972,1.681880709
1896,C21 H26 F2 O5,Fluticasone 17-carboxylic acid,396.176,8.899016,0.234200114,0.293917591,0.195803933,0.29296515,0.22031174,0.002462984,0.363901607,-0.313347041,-0.3777275,-0.236542282,-0.304980318,-0.363520449,-0.042950932,-0.487681374
1897,C15 H20 O5,"8-Deoxy-11,13-dihydroxygrosheimin",280.1285,6.9010005,0.953342869,1.067895775,0.99127463,1.083592183,0.814171364,1.252644976,0.817996048,0.84630997,0.818274566,0.879755715,0.911422112,0.74136011,1.003437437,0.745004103
1898,C23 H40 O6,3-methoxy Limaprost Esi+14.093995,412.2811,14.093995,0.512146589,0.200365386,0.951093731,0.406415452,0.638601,0.604013133,0.455049123,0.335536879,0.176612352,0.525131051,0.290099501,0.404290331,0.355575138,0.322617475
1899,C25 H29 N8 O25 P,C25 H29 N8 O25 P,872.0976,13.230973,0.180363402,0.23950538,0.080350143,0.165793459,0.03586262,0.061177898,0.149280895,-0.008946743,-0.057429867,0.048892774,0.008937588,-0.048349498,0.033972662,-0.036618464
1900,C12 H17 N4 O3,C12 H17 N4 O3,265.1262,4.6229906,0.114680101,0.013463646,0.191628038,0.07878123,0.143678709,0.268057431,0.002090751,-0.002600134,0.037546657,-0.050494552,0.048585472,-0.077713657,0.279187217,-0.184278821
1901,C39 H68 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",709.4643,11.496012,0.668376865,0.67787308,0.640028246,0.65928775,0.562918315,0.822211142,0.57378662,0.3686678,0.406708411,0.32328602,0.407185175,0.283707669,0.48995878,0.290467038
1902,<none>,<none> Esi+13.040024,449.8078,13.040024,1.822318084,1.970669657,1.800583664,1.812396843,1.98078078,1.889446428,1.924436114,0.892601884,0.975598053,0.793588912,0.890565927,0.880242577,0.906028865,0.883945015
1903,C36 H69 O9 P,PG(P-16:0/14:1(9Z)),675.4571,11.166014,0.154973829,0.242660256,0.066666722,0.20758744,0.021705833,0.015182698,0.208769074,-0.031184369,-0.081020551,0.028269322,-0.028552408,-0.061890197,0.05296567,-0.085438999
1904,C34 H60 O9,C34 H60 O9,612.4225,13.981988,0.942731909,1.016610766,0.729184234,1.069609063,0.648810643,0.915622006,0.85869,-0.547993029,-0.720821993,-0.341811108,-0.655102847,-0.397943859,-0.560551974,-0.539895815
1905,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.235042,488.3466,15.235042,0.828903753,0.975289893,0.463784732,0.846310272,0.694871282,0.859304491,0.683338889,-0.38754443,-0.529266269,-0.218472763,-0.357918943,-0.431496751,-0.446948554,-0.349244403
1906,C41 H68 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",733.4623,13.318041,1.675238265,1.547808597,1.789644213,1.65500242,1.664196405,1.622170706,1.698792231,1.176799144,1.106631839,1.260507508,1.179511345,1.158977965,1.146563471,1.196293196
1907,C18 H39 N16 O P,C18 H39 N16 O P,526.3138,12.394026,1.563321325,1.363712892,1.869371845,1.521179355,1.651030334,1.568183075,1.596527753,1.465606151,1.226668527,1.750654543,1.414870613,1.524252995,1.415127801,1.498151402
1908,C14 H21 N O2,Stovaine,235.1542,8.25,0.933348206,1.212539389,0.611183752,1.067332634,0.764200467,1.387755116,0.763321416,-0.76677616,-1.037709123,-0.443557889,-0.97243048,-0.470180064,-0.990291689,-0.622667464
1909,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+8.258022",360.1782,8.258022,0.528977351,0.42001089,0.616328967,0.467119824,0.48833128,0.353171278,0.530812058,-0.387093267,-0.31295454,-0.475539468,-0.335058216,-0.441999074,-0.341340126,-0.416592003
1910,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid Esi+13.114991 :1,542.3903,13.114991,0.446294803,0.545626964,0.163310287,0.603927174,0.191435823,0.407865911,0.329186893,-0.135136748,-0.17185961,-0.091327018,-0.132430628,-0.150808221,-0.086913492,-0.166228057
1911,C13 H N O19 P S,C13 H N O19 P S Esi+12.642025,537.86,12.642025,1.773864731,1.773876052,1.91019962,1.780490067,1.866893863,1.842833744,1.843216337,0.872038178,0.89478377,0.844903085,0.880278482,0.84255643,0.905997598,0.850143288
1912,C22 H41 N O,Pipericine,335.3185,15.539013,1.83453383,1.902245757,1.794697625,1.787128739,1.89148433,1.879442727,1.863692865,-1.755112577,-1.994141811,-1.469954895,-1.692847292,-1.839526569,-1.794933819,-1.729438356
1913,C35 H56 O10,Madlongiside C,635.3723,6.296012,0.198535629,0.11038957,0.453819313,0.233506958,0.199401154,0.198946741,0.100671255,0.133793454,-0.058298975,0.36295635,0.081827431,0.226951452,0.053115514,0.185809494
1914,C22 H47 N8 O P S,C22 H47 N8 O P S,502.3322,11.558987,1.313032329,1.409944814,1.227014115,1.389992813,1.232200556,1.377207539,1.244593679,1.429667702,1.562538445,1.271155237,1.452298962,1.36049345,1.481629354,1.39616611
1915,C48 H83 O9 P,"PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",834.5774,13.676021,0.507223423,0.593947222,0.115957039,0.526960453,0.197994617,0.336785308,0.424837779,-0.165784104,-0.260880307,-0.052336001,-0.161416813,-0.183883467,-0.112574746,-0.200090137
1916,C28 H46 O4,Secasterone,446.3391,16.340036,0.375215055,0.26223665,0.501188216,0.49850488,0.232551877,0.363351919,0.319955852,-0.166235372,-0.103472556,-0.241110309,-0.234675252,-0.087529031,-0.209150907,-0.138566145
1917,C48 H94 N O17 P,MIPC(t20:0/16:0),987.6139,14.387958,1.676810451,1.666247769,1.473498826,1.716447483,1.529606764,1.661622071,1.627675308,-1.547394615,-1.69305665,-1.373622363,-1.509054753,-1.606144607,-1.540105433,-1.552094219
1918,C9 H10 O2,2'-Methoxyacetophenone,150.0678,4.8360066,0.381117346,0.316631062,0.576547682,0.110556075,0.675979971,0.532990614,0.307764455,0.399554841,0.29735534,0.521477054,0.311490316,0.501454609,0.559785262,0.296248386
1919,C17 H35 N5 O4 S,Lys Met Lys Esi+9.328998,405.2356,9.328998,1.125181476,1.214775991,1.072232857,1.247139869,1.010136573,0.953875506,1.175766863,-1.123004758,-1.022592782,-1.242794484,-1.163290715,-1.076711193,-0.856340833,-1.294932815
1920,C16 H2 N2 O19 S,C16 H2 N2 O19 S Esi+12.554992,557.8971,12.554992,0.180277136,0.065776235,0.423155473,0.131607983,0.238070111,0.245678016,0.231326737,0.114854996,0.074480855,0.163020638,0.116064892,0.097832772,0.148581928,0.09311
1921,C46 H90 N O17 P,MIPC(t18:0/16:0),479.7925,6.560002,1.112041915,1.054315706,1.234957103,0.935058689,1.370788723,1.021847507,1.158318036,0.834891752,0.580716567,1.138118288,0.599179753,1.149234092,0.568826811,1.006433621
1922,C15 H22 N2 O16 P2,UDP-4-keto-rhamnose,548.0455,12.654035,0.261556829,0.131367643,0.555803177,0.160929466,0.49542386,0.222216822,0.391094582,0.143313722,0.104185297,0.189993246,0.131239852,0.143858687,0.151086993,0.138302007
1923,C16 H34 O8,C16 H34 O8 Esi+5.4129996,354.2251,5.4129996,0.198699828,0.099878238,0.633924185,0.154318253,0.372806456,0.044677761,0.402472325,-0.103203383,0.038051285,-0.271717724,-0.047232656,-0.198633847,0.043394032,-0.197720138
1924,C28 H48 N9 O2,C28 H48 N9 O2,542.392,15.236021,0.122018617,0.19375346,0.041947673,0.19205125,0.4028454,0.006431044,0.136272648,-0.019806,-0.037949351,0.0018387,0.379416245,-0.601681308,0.187929902,-0.153740989
1925,C9 H12 O2,"2,6Z-Nonadien-4-olide",152.0836,5.093008,0.666366734,0.540888052,0.770532502,0.510786601,0.737373376,0.57585046,0.745585618,0.507221771,0.469493811,0.552230566,0.509434074,0.499715766,0.527542794,0.494120059
1926,C25 H44 O9,C25 H44 O9 Esi+11.347985,488.2986,11.347985,1.090742305,0.883073636,1.34521109,1.022921623,1.100949624,1.082693396,1.0802539,1.614505023,1.378965346,1.895499725,1.616085606,1.584440339,1.62267267,1.60923904
1927,C33 H44 O8,5-Oxoavermectin ''1b'' aglycone,568.3005,12.789003,0.162972106,0.311555008,0.113263294,0.108271928,0.166630367,0.148497974,0.110967958,-0.009060302,-0.167904871,0.180438481,0.04873681,-0.09001179,-0.036225858,0.008454332
1928,C17 H29 N O4,C17 H29 N O4 Esi+7.626984,311.2086,7.626984,0.65052278,0.631245004,0.587650176,0.546642506,0.780712598,0.626877281,0.633033709,0.42481517,0.480137814,0.358816227,0.406288174,0.455972364,0.435892709,0.417673073
1929,C29 H46 N3 O8,C29 H46 N3 O8,564.3277,12.702962,0.987092887,0.822139054,1.26695631,0.94619317,1.078787236,1.035182813,1.011844102,0.957195869,0.805441195,1.138236533,0.965879692,0.938198966,0.959810003,0.955510441
1930,C27 H50 O7,C27 H50 O7,486.3558,14.71099,0.354022501,0.442387952,0.11237289,0.510936854,0.15502637,0.282795581,0.271829842,-0.068795722,-0.151039541,0.029319712,-0.071006398,-0.065343594,-0.024470472,-0.097373843
1931,C7 H9 N O2,"5-Acetyl-2,4-dimethyloxazole",139.0608,1.0160028,0.139828719,0.084562026,0.257057704,0.047176294,0.151515414,0.015097362,0.170254808,-0.044615774,-0.011263637,-0.084404289,0.035195012,-0.161053788,0.049345061,-0.105195786
1932,C28 H44 N O9 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",293.151,8.551019,0.279053821,0.159033631,0.36105653,0.239736552,0.204610984,0.251185922,0.278949348,0.282952478,0.217612831,0.360901531,0.294344166,0.249219166,0.273155989,0.289268635
1933,C28 H7 N6 O16 P,C28 H7 N6 O16 P,713.9646,12.083007,1.839734098,1.827183399,1.738571964,1.929965404,1.610983672,1.811961721,1.778461192,1.784895805,1.857926708,1.697771219,1.914162417,1.57484955,1.876871086,1.725595953
1934,C16 H29 N O4,C16 H29 N O4,299.2088,7.109007,0.339087438,0.449346045,0.253977896,0.520071234,0.04319717,0.407863971,0.230664135,-0.251540675,-0.231563386,-0.27537323,-0.301883504,-0.149851642,-0.280380194,-0.232946775
1935,C43 H76 N O8 P,"PE(P-18:1(9Z)/20:4(6E,8Z,11Z,14Z)(5OH[S]))",765.5266,14.111026,1.381923519,1.387501327,1.167865699,1.376784396,1.27077115,1.340291281,1.326711113,-1.041132749,-1.201236884,-0.850131325,-0.971470718,-1.148157187,-0.989464535,-1.07444515
1936,C35 H68 N O8 P,PE(14:0/16:1(9Z)),660.4606,11.656005,0.725750757,0.772780788,0.540568821,0.696056038,0.564080883,0.850788468,0.539910387,0.80168185,1.009148166,0.554178175,0.889839407,0.640725529,1.179846185,0.557865371
1937,C19 H18 N8 O19 P S,C19 H18 N8 O19 P S,725.0144,14.077951,0.598510501,0.678247356,0.287378388,0.655177528,0.382049158,0.411615893,0.572453728,-0.211588444,-0.280090568,-0.129866613,-0.200274631,-0.240515056,-0.131809378,-0.263024947
1938,C15 H27 N O4,C15 H27 N O4 Esi+6.546013,285.194,6.546013,0.308373607,0.086704481,0.477282291,0.090508546,0.546320326,0.086157898,0.443664208,0.267052982,0.235633329,0.304536078,0.232386135,0.320582368,0.117714734,0.363336853
1939,C20 H34 O6,"15(R),19(R)-hydroxy PGF2? Esi+13.212965",370.2375,13.212965,1.28275268,1.069035612,1.459803004,1.312000391,1.120456256,1.201341685,1.307306081,0.676034642,0.623044578,0.739250859,0.702713947,0.630066557,0.669152908,0.680471549
1940,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+9.183,440.2028,9.183,0.987447088,0.873687501,1.054354793,0.869609064,0.991597577,0.980479485,0.958515297,1.494793386,1.36262484,1.652468143,1.567289173,1.358105223,1.577196734,1.441664912
1941,C28 H55 N18 O2,C28 H55 N18 O2,675.4755,9.084984,0.735897799,0.681572584,0.79137269,0.935430088,0.463875908,0.837630404,0.625264868,-0.496371249,-0.428280072,-0.577602829,-0.565124048,-0.423935958,-0.46236758,-0.518294668
1942,<none>,<none> Esi+12.757017,518.6949,12.757017,0.661733991,0.849031314,0.437827948,0.852767986,0.46802799,0.768849926,0.619260047,-0.346092438,-0.39450576,-0.288336193,-0.369200955,-0.314735204,-0.330529939,-0.356126154
1943,C53 H75 N8 O8,C53 H75 N8 O8,951.5694,13.885009,0.385978122,0.686686573,0.423483863,0.237796683,0.363897701,0.378871475,0.28937498,-0.084603238,-0.271314333,0.138139823,-0.039546083,-0.144219807,-0.127283689,-0.057085578
1944,C26 H58 N27,C26 H58 N27,748.5365,11.336004,0.158801545,0.100771285,0.291175857,0.071364997,0.244642038,0.28501989,0.128951128,0.116267498,0.114490026,0.118387991,0.134709104,0.063846462,0.229207821,0.04345071
1945,C42 H83 N18 O8,C42 H83 N18 O8,967.6642,11.027014,0.393334301,0.299700963,0.503694158,0.353425813,0.396046271,0.549217331,0.297355422,0.2109596,0.206312415,0.21650361,0.226709294,0.158589074,0.32815819,0.135397351
1946,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3)",502.4003,15.908994,1.375472663,1.251934413,1.154837515,1.221470702,1.209462843,1.136840946,1.308363157,2.561270327,2.530874478,2.597532042,2.527715054,2.5990035,2.38168719,2.677054192
1947,C37 H63 N5 O7,Microcolin C Esi+12.138983,689.4734,12.138983,0.530185506,0.381031288,0.718941849,0.494871186,0.508890656,0.551245347,0.54970283,0.353905681,0.302550166,0.41517191,0.356118263,0.328447777,0.410971684,0.317113127
1948,C52 H85 N O16,C52 H85 N O16,979.5863,12.989012,0.061624006,0.417765046,0.65193263,0.037112213,0.063807463,0.216675498,0.141205774,0.03779171,-0.153237035,0.265685652,0.055327942,0.023423274,-0.069122745,0.106723399
1949,C32 H42 O3,"1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorvitamin D3 / 1?-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorcholecalciferol",474.3159,11.135008,1.260659617,1.317058873,1.206961608,1.335365456,1.087474106,1.387128341,1.207025855,0.665338749,0.739711781,0.576613027,0.728790149,0.547047431,0.775779077,0.594133802
1950,C34 H44 O19,"Hesperetin 7-(2,6-dirhamnosylglucoside)",778.2236,14.806955,1.799151371,1.87497345,1.577583164,1.659686568,1.851971885,1.790995725,1.792988786,1.358498494,1.414257748,1.291978683,1.232965957,1.531140039,1.306566663,1.39198086
1951,C20 H42 O5,C20 H42 O5,362.3026,14.042982,0.617889927,0.715234088,0.31220553,0.56570229,0.546458852,0.701815329,0.478268494,-0.236516202,-0.307992438,-0.151246307,-0.204029806,-0.283284403,-0.26197795,-0.220100075
1952,C40 H64 O13,Polypodoside C Esi+13.628978,752.4322,13.628978,0.414850421,0.186951264,0.761967723,0.431700938,0.412744319,0.466938918,0.400406524,0.481762995,0.273002967,0.730810045,0.529560282,0.395642567,0.498087704,0.471237853
1953,C51 H88 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",447.8036,9.130999,0.497566986,0.459394748,0.593014481,0.698386931,0.267202586,0.549262633,0.450136841,-0.394109225,-0.326346194,-0.474949332,-0.45957981,-0.329349455,-0.331973217,-0.434170598
1954,C13 N O22 P,C13 N O22 P Esi+12.004966,552.8653,12.004966,2.079355554,2.076357689,2.009579004,2.062316084,1.998070308,2.020276138,2.085167733,1.736981766,1.794117583,1.668819738,1.786893312,1.639447302,1.727427415,1.743141808
1955,C41 H71 O8 P,"PA(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",721.4816,7.673981,0.382948003,0.220735386,0.637555279,0.471598553,0.298261425,0.13761225,0.498301701,-0.200697721,-0.090720175,-0.331899005,-0.193532295,-0.231942591,-0.047843693,-0.299248345
1956,C20 H22 O5,"1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol Esi+13.05598",342.1466,13.05598,0.521478066,0.422667923,0.55676268,0.320103051,0.535534903,0.552508194,0.439431611,-0.226367009,-0.202427952,-0.254925883,-0.222799363,-0.222426521,-0.256034351,-0.20723938
1957,C26 H30 O7,"1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone",454.1993,10.340989,0.283029581,0.307665796,0.152966457,0.220433833,0.298256726,0.064093279,0.309744726,-0.138471475,-0.182032055,-0.086504468,-0.044621187,-0.273846586,0.022982879,-0.242567045
1958,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3) Esi+16.225023",502.4004,16.225023,2.149328107,2.040246181,2.005846835,2.094165868,1.985314335,2.109242406,2.02554557,-3.293663027,-3.354954971,-3.220542813,-3.310220694,-3.249134645,-3.400792598,-3.224592646
1959,C11 H22 N2,C11 H22 N2,182.1777,5.2969975,0.307885568,0.361827185,0.127243974,0.169844301,0.424261509,0.280195788,0.235878412,-0.182502782,-0.367147287,0.037774873,-0.085466076,-0.3549102,-0.140269662,-0.20973203
1960,C34 H58 O6,Campesteryl glucoside Esi+15.336967 :1,562.421,15.336967,1.148723174,1.258380128,0.765419659,1.041121131,1.220933512,1.089266294,1.093845384,-0.780784828,-0.995060204,-0.525158065,-0.647075709,-0.970228625,-0.751472148,-0.799683793
1961,C22 H44 N6 O10,Arbekacin,552.311,6.125986,0.705020433,0.948267348,0.359247331,0.764937236,0.505063068,0.93535876,0.509379551,0.296598657,0.444573433,0.120067344,0.354649301,0.197102519,0.476935076,0.180329123
1962,C18 H36 N6 O5,Istamycin B3 Esi+10.284991,416.2743,10.284991,0.095013556,0.259380205,0.097649266,0.240858188,0.173899832,0.235648577,0.004631425,0.055853135,0.16623728,-0.075833213,0.141278126,-0.095279734,0.178411891,-0.02316501
1963,C41 H79 O9 P,PG(P-20:0/15:1(9Z)),745.5327,16.050032,0.121875138,0.114799906,0.120095255,0.226900438,0.042957288,0.101293112,0.266105418,0.065740947,0.031978144,0.106019378,0.084607591,0.030662337,0.299885191,-0.085220474
1964,C20 H32 O3,"5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S",320.2339,12.519026,0.625019771,0.812747029,0.286731994,0.703789017,0.494716231,0.561645724,0.680618251,-0.534185399,-0.66928739,-0.373011092,-0.574868498,-0.454288867,-0.482801462,-0.567314515
1965,C40 H77 O10 P,PG(16:0/18:1(9Z))[U] Esi+12.845965,747.5154,12.845965,0.306733363,0.455441015,0.063408372,0.422711785,0.012610079,0.443321228,0.058974895,-0.089906264,-0.19024046,0.029790671,-0.083947812,-0.11495094,-0.131536259,-0.063065873
1966,C19 O13 P S2,C19 O13 P S2 Esi+12.124019,530.8523,12.124019,2.143909644,2.11437366,2.046163776,2.212966668,1.961100648,2.128501586,2.093818758,1.699208536,1.740008759,1.650534585,1.758214907,1.592662661,1.78458489,1.644163255
1967,C37 H64 N3 S2,C37 H64 N3 S2 Esi+15.287041,614.4517,15.287041,0.462677304,0.592985376,0.171573206,0.428115121,0.394324473,0.351417303,0.407298562,-0.543646654,-0.724399699,-0.328011442,-0.556023686,-0.537678175,-0.570937181,-0.526051445
1968,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+16.25703",576.4745,16.25703,2.036716618,2.144349383,1.92477003,2.12209471,2.026818006,2.219904198,1.9735144,-2.134640379,-2.349690754,-1.878089053,-2.093255559,-2.206162556,-2.222681156,-2.077877246
1969,C23 H6 N2 O22,C23 H6 N2 O22 Esi+13.116962,661.941,13.116962,0.920555395,0.913872836,1.116932625,1.007979563,0.85469255,1.060826393,0.979259214,0.477208456,0.470685536,0.484990185,0.535898282,0.378952389,0.524086762,0.446984285
1970,<none>,<none> Esi+11.872005,778.0275,11.872005,0.327418434,0.241685659,0.53106912,0.293109517,0.396516025,0.374404842,0.362452676,0.226721571,0.205568394,0.251956939,0.242935642,0.174503099,0.284531775,0.189449202
1971,C37 H62 O11,Cyclopassifloside II Esi+13.552982,330.2238,13.552982,0.252948121,0.2888034,0.062086808,0.326898223,0.119123151,0.334677655,0.026485189,0.200155289,0.221840556,0.174285147,0.359598668,-0.027124637,0.392178036,0.07635115
1972,C28 H48 O5,2-Deoxybrassinolide,464.3508,14.791993,1.623079129,1.725496324,1.549265756,1.772833521,1.499412168,1.706566033,1.576978274,-1.359455258,-1.515382644,-1.173436622,-1.363752662,-1.369437205,-1.325993899,-1.381029029
1973,C44 H72 O11,Oligomycin D Esi+8.614992,793.5387,8.614992,0.588297857,0.504288846,0.749918559,0.780463401,0.338206979,0.488944031,0.570501117,-0.306141121,-0.227120061,-0.400411859,-0.340599059,-0.277618867,-0.200128216,-0.374491547
1974,C22 H34 O7,Nigakihemiacetal A Esi+10.315995,410.2275,10.315995,0.173748347,0.245902015,0.093230444,0.145705995,0.240204276,0.136273085,0.155097946,-0.062718774,-0.046680994,-0.081851565,0.082880482,-0.271013637,0.050156583,-0.135493676
1975,C45 H79 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",777.5439,10.625982,0.159829818,0.143269555,0.212465993,0.139577554,0.188053959,0.312223124,0.128056105,0.098085155,0.116398451,0.076237714,0.130828869,0.018482563,0.215425724,0.022431367
1976,C23 H48 N2 O,C23 H48 N2 O,368.3755,12.891037,0.799624076,0.948335397,0.681984935,0.786240354,0.757332993,1.013054406,0.647945509,-0.403063923,-0.472236206,-0.320542602,-0.376885107,-0.422569915,-0.518172597,-0.32884912
1977,C45 H72 O14,Hebevinoside II,836.4916,14.552982,0.186907501,0.375145022,0.202048824,0.127459056,0.186624118,0.014289443,0.245117426,-0.076240011,-0.274558744,0.160350759,0.049914961,-0.247398154,0.0332251,-0.146816201
1978,C42 H74 N O10 P,"PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U]",782.4992,10.625,0.976716966,0.936674793,1.018490641,1.000588921,0.842903971,1.040991839,0.936444422,0.523141532,0.558666984,0.480760292,0.577520083,0.415237635,0.628512843,0.455204767
1979,C8 H11 N O2,n-Butyl-2-cyanoacrylate,153.0762,1.4450046,0.209656512,0.158442603,0.549440299,0.120506289,0.668145595,0.232124622,0.480344694,-0.109175682,0.027809773,-0.272596926,-0.00950135,-0.239778757,0.052004761,-0.213094651
1980,C37 H73 N2 O7 P,"PE-Cer(d15:2(4E,6E)/20:0(2OH)) Esi+13.35797",710.4969,13.35797,0.555432276,0.711669478,0.230879156,0.743691258,0.273555448,0.578343255,0.422808396,-0.20189875,-0.27833468,-0.110712027,-0.20362695,-0.21200865,-0.167294094,-0.224209647
1981,C24 H49 N8 O,C24 H49 N8 O,465.4023,15.544972,1.096774163,1.197397044,0.76564196,1.076631749,0.979040474,1.108374627,0.962805983,-0.57851184,-0.734033343,-0.392977415,-0.56010402,-0.615154072,-0.597111151,-0.566520179
1982,C33 H54 O7,Cholesterol glucuronide,579.4086,12.459977,0.202501022,0.291854374,0.050206303,0.29995836,0.022373303,0.134285506,0.124771605,-0.033388169,-0.07445663,0.015605783,-0.020330708,-0.066991991,0.012764754,-0.063144659
1983,C28 H51 N2 O6 P,C28 H51 N2 O6 P,542.3527,12.925031,0.671285909,0.31001103,1.095428486,0.503036189,0.86394837,0.40317812,0.86376066,0.630159267,0.3700433,0.940473053,0.545784333,0.740056189,0.43220778,0.757785884
1984,C22 H30 O8,Picrasin F,422.1922,9.472009,0.630129852,0.516752987,0.7224892,0.599487741,0.532010159,0.903826997,0.380510598,0.655258291,0.553246814,0.776956192,0.717257156,0.538154226,0.873647431,0.514454766
1985,C27 H61 N15 O4 P,C27 H61 N15 O4 P,690.4771,12.142023,1.012788852,1.088666798,0.893455163,1.090033387,0.896338823,1.109580932,0.949834484,0.704418489,0.778767441,0.615721493,0.771163414,0.587249717,0.808872394,0.637073209
1986,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2]",522.4279,16.884022,0.722257186,0.780422642,0.474992799,0.646613194,0.68152729,0.502323303,0.722617003,-0.411942327,-0.535607333,-0.264412143,-0.292858635,-0.572584507,-0.24171726,-0.521692699
1987,C15 H24 O6,C15 H24 O6 Esi+10.474027,300.1573,10.474027,0.281664657,0.353619964,0.210659889,0.43320917,0.084992066,0.260604167,0.188718909,-0.174051646,-0.21262058,-0.128039583,-0.258508659,-0.063241104,-0.200898984,-0.156742178
1988,C44 H85 N O13,LacCer(d14:0/18:0),857.5805,12.544986,0.397670153,0.460126094,0.169138633,0.419869551,0.192214821,0.224529484,0.427864608,-0.115235651,-0.185743246,-0.031121327,-0.10754946,-0.148374964,-0.057152257,-0.152684155
1989,C12 H28 N2 O6,C12 H28 N2 O6,296.1895,4.5710006,0.060518449,0.226881721,0.374632428,0.153175375,0.082004698,0.056215755,0.020886527,-0.042955342,0.116452504,-0.233126106,-0.044370444,-0.042716675,0.020065282,-0.08358706
1990,C11 H22 O22 P4,"Phosphatidylinositol-3,4,5-trisphosphate",629.9544,14.069025,0.44319658,0.528094802,0.142034702,0.530967634,0.237548669,0.251354953,0.441218255,-0.154390313,-0.207631445,-0.090874576,-0.148202317,-0.174536177,-0.063207598,-0.213179168
1991,C23 H44 N O4,trans-Hexadec-2-enoyl carnitine Esi+11.748026,397.3187,11.748026,0.252646519,0.415193476,0.056942521,0.21052224,0.180029041,0.075923981,0.228964624,-0.082686208,-0.171099539,0.022789346,-0.042336555,-0.153321564,-0.003158987,-0.133960337
1992,C14 H6 O22 P,C14 H6 O22 P,556.9071,13.968995,0.3705422,0.458647809,0.059966604,0.442555411,0.161007571,0.214335053,0.33733688,-0.123527359,-0.176520275,-0.06030774,-0.118299167,-0.143570444,-0.050353161,-0.17070546
1993,<none>,<none> Esi+12.538021,858.0824,12.538021,0.219648719,0.125647927,0.439525118,0.236441536,0.260338051,0.294747874,0.251855532,0.171200594,0.134856543,0.214558408,0.189835693,0.120177657,0.221342429,0.138872305
1994,C40 H77 O12 P,PI(P-18:0/13:0) Esi+12.708007,780.5206,12.708007,1.092992146,1.074093126,1.187897719,1.086866873,1.028228946,1.206239048,1.084241994,0.633484332,0.656737301,0.605743948,0.67112781,0.554573681,0.746597935,0.560555825
1995,<none>,<none> Esi+12.608965,562.721,12.608965,0.277227989,0.172496228,0.511527502,0.208202498,0.382442979,0.244954302,0.377274529,0.181947764,0.148675981,0.221640418,0.184320452,0.163016484,0.180759917,0.182713613
1996,C29 H60 N6 P S,C29 H60 N6 P S,555.4342,13.972968,0.527975407,0.615848489,0.230149064,0.414261068,0.597093871,0.588345829,0.428294466,-0.336616454,-0.465930857,-0.18234664,-0.267396228,-0.440518949,-0.367553665,-0.316670095
1997,C28 H51 N O8,C28 H51 N O8,529.3611,14.056955,0.974415793,0.682802215,1.39252678,0.93917603,1.048516754,0.90756372,1.084897084,0.809255763,0.642412352,1.008297026,0.792168237,0.835927851,0.703903354,0.877180343
1998,C46 H66 O6,(2'S)-Deoxymyxol 2'-?-L-fucoside,713.4781,13.351017,1.157255701,1.217731838,1.0342233,0.984575874,1.234126484,1.226413062,1.077121457,0.62727475,0.66326005,0.584344918,0.605118305,0.645921237,0.686034857,0.589389943
1999,C16 H34 O6,C16 H34 O6,322.235,8.619007,0.66367841,0.442153428,0.950887916,0.674241208,0.699359837,0.767709517,0.581712106,-0.453204984,-0.284083557,-0.654963879,-0.475780804,-0.440145666,-0.43852494,-0.462669749
2000,C37 H71 O10 P,PG(17:0/14:1(9Z)),706.4828,13.5600395,0.98737181,0.925168681,1.088677599,0.940719491,0.97421017,1.250863686,0.86070543,0.63582166,0.647160677,0.622294412,0.645668925,0.596371861,0.815693916,0.51985139
2001,C35 H58 O12,Fungichromin,692.375,14.299016,1.349587047,1.166756341,1.591819402,1.378109642,1.282205287,1.380599133,1.292108684,0.970349849,0.883230469,1.074281742,0.993508905,0.935194979,0.982192044,0.96271475
2002,C16 H24 N4 O2,"1,3-Dipropyl-8-cyclopentylxanthine [DPCPX] Esi+8.161989",304.1885,8.161989,0.317990952,0.058922607,0.664494606,0.163968449,0.527013522,0.024132241,0.535475557,0.198009344,-0.001295376,0.435776378,0.08412179,0.381231735,-0.005214767,0.329035415
2003,C36 H68 O6,Glycerol triundecanoate,596.4986,16.37995,0.663732979,0.703994478,0.44880649,0.554313803,0.609296794,0.621530455,0.55197214,-0.577048225,-0.762894875,-0.355336433,-0.50792595,-0.667506749,-0.645273435,-0.533060919
2004,C8 H14 O5 S,2-(3'-Methylthio)propylmalic acid Esi+16.70098,222.0562,16.70098,2.179085394,2.279495568,2.267404143,2.300751289,2.263234474,2.338764354,2.200863829,1.636816012,1.575550787,1.709904349,1.654449843,1.631495638,1.528642439,1.706559499
2005,C30 H52 N6 O3,C30 H52 N6 O3 Esi+16.81299,544.41,16.81299,0.607221681,0.636952262,0.468908468,0.637906026,0.469594658,0.527383852,0.5509259,-0.325482389,-0.449387441,-0.177665836,-0.312020742,-0.325315163,-0.290516702,-0.348026056
2006,C38 H73 O9 P,PG(P-18:0/14:1(9Z)) Esi+11.470968,704.5061,11.470968,0.02922624,0.002832704,0.174717175,0.023640487,0.154330445,0.173204785,0.039394384,0.049987137,0.034832612,0.068066219,0.059053708,0.009267416,0.140320416,-0.008254056
2007,C3 H3 N4 O3 P,C3 H3 N4 O3 P,173.9936,1.0160028,0.744688386,0.767938965,0.552123289,0.807157481,0.529994239,0.684432218,0.647005024,-0.353028107,-0.478206237,-0.203692794,-0.384931501,-0.315461689,-0.434694113,-0.300375025
2008,C8 H12 N2 O,2-Isopropyl-3-methoxypyrazine,152.0948,1.1390041,0.928368654,0.997862306,0.601425506,0.869623693,0.841462111,0.975161862,0.785695047,0.2417222,0.295402529,0.177682508,0.246847768,0.236043635,0.293902663,0.208079533
2009,C10 H17 N O,4-Butyl-2-ethyl-5-methyloxazole Esi+1.3699974,184.1569,1.3699974,0.657771126,0.815598179,0.325709656,0.702685259,0.553902357,0.762123217,0.500382276,0.24898836,0.392395395,0.077906285,0.256230069,0.24898331,0.365042505,0.174163978
2010,C36 H62 O10,Notoginsenoside R9,676.4161,15.614991,0.328750503,0.257193725,0.339535615,0.335289199,0.253901504,0.463078471,0.234310071,0.322896309,0.319253887,0.327241655,0.387379198,0.235400281,0.492553985,0.213511755
2011,C44 H77 O8 P,"PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))",763.5283,9.10099,0.464498672,0.456441198,0.494789959,0.694494832,0.172470819,0.549325951,0.373815396,-0.384178109,-0.326089643,-0.45347663,-0.462531669,-0.300036821,-0.335729354,-0.415414807
2012,C8 H9 N,C8 H9 N,119.0735,0.87899864,0.592689402,0.600721212,0.735412836,0.584017322,0.832097986,0.453161202,0.830045512,-0.237506348,-0.335542081,-0.120551439,-0.286319693,-0.171592804,-0.319009524,-0.184958248
2013,C28 H47 N5 O5 P,C28 H47 N5 O5 P,564.338,12.923023,0.555172481,0.319532806,0.977558821,0.529728799,0.674638997,0.4478489,0.736502336,0.35115057,0.2302157,0.495423748,0.365742218,0.328794643,0.289628503,0.390816113
2014,C44 H67 N O5 S,C44 H67 N O5 S,721.4744,12.500981,1.432182848,1.602917909,1.027160757,1.476332257,1.011529104,1.51316179,1.283630638,1.233309024,1.481359895,0.937388687,1.466331429,0.87916883,1.446189202,1.096057331
2015,C30 H49 N3 O,Lucidine B,467.3815,14.017033,0.804899724,0.906015629,0.4143843,0.72342185,0.757673268,0.860440913,0.67208826,-0.376466037,-0.502098717,-0.226588453,-0.334619916,-0.439561482,-0.39813817,-0.362493214
2016,C20 H32 O8,Cincassiol B Esi+11.587976,400.2094,11.587976,1.832492448,1.555931715,2.119442549,1.68224278,2.000682629,1.637919268,1.959372529,2.071902771,1.739367234,2.468611834,1.862229614,2.369183436,1.793353354,2.251493843
2017,C23 H49 N O7 P,PC(7:0/O-8:0),481.3197,11.897971,1.417222803,1.524932273,0.953804214,1.317655219,1.216346055,1.512862498,1.204037478,-1.75302823,-2.130215711,-1.303050183,-1.66627973,-1.846110338,-1.964729828,-1.616536411
2018,C13 H22 N6 O4,C13 H22 N6 O4 Esi+7.901984,326.1704,7.901984,1.818192064,1.660074042,1.992098128,1.67213439,2.119428615,1.510481077,2.052992089,2.325621685,2.018844182,2.691601865,2.050442495,2.670729331,1.840026864,2.638702556
2019,C17 H30 N6 O4,Val His Lys Esi+10.746002,382.2321,10.746002,2.435734376,2.273916454,2.586021243,2.339633896,2.591146924,2.207093523,2.590700002,4.167406077,3.805296219,4.599396786,3.893784939,4.524777585,3.798553535,4.4052189
2020,C19 H35 N O4,CAY10580 Esi+9.43799,341.2561,9.43799,0.636768039,0.542379112,0.715583719,0.570340114,0.732713781,0.69210863,0.651236458,0.462332053,0.435090164,0.494831148,0.394673126,0.549305318,0.427285934,0.484927576
2021,C27 H42 O3,Setariol,436.2938,11.793966,1.60169116,1.655191205,1.661775066,1.63163348,1.581916524,1.702455928,1.63911695,0.758511947,0.814241239,0.692027879,0.790162316,0.690787089,0.831099291,0.711712212
2022,C21 H25 N O4,Dl-tetrahydropalmatine,372.2052,6.0699925,1.443866227,1.347453821,1.579615452,1.465145756,1.560488377,1.48627809,1.406668007,1.179214372,0.938346917,1.466565019,0.974127893,1.461087026,0.974896432,1.310945675
2023,C16 H28 O4,(10S)-Juvenile hormone III diol Esi+10.019022,284.1957,10.019022,0.015030078,0.169255297,0.174685959,0.055716341,0.030894122,0.030748876,0.013409012,0.071411168,-0.062340193,0.230974194,0.084054881,0.074351789,0.039586027,0.091930009
2024,C55 H70 Mg N4 O5,Divinylchlorophyll a,907.5435,13.905025,0.438322602,0.804109941,0.433301501,0.344445931,0.37853384,0.503717253,0.317151532,-0.123593841,-0.331869973,0.124875931,-0.091486554,-0.166140803,-0.182377707,-0.085693717
2025,C42 H62 O11,Avermectin A1a monosaccharide,759.4574,13.113023,0.555993554,0.900576641,0.157527981,0.543627976,0.419941822,0.656127049,0.415282218,-0.178657247,-0.349533362,0.02519496,-0.157028571,-0.203210137,-0.232323566,-0.144056594
2026,C16 H24 O7,PGDM,328.1496,6.0500097,1.085793064,0.969096415,1.184805135,1.112692425,1.058381754,1.228924781,0.988931075,-0.457084211,-0.466437163,-0.445926303,-0.484510028,-0.424766471,-0.543194148,-0.401565961
2027,C16 H30 N7 O2,C16 H30 N7 O2 Esi+7.931022,352.2452,7.931022,0.656833528,0.744380106,0.588948677,0.843850081,0.377600179,0.989017337,0.392349082,-0.763674195,-0.745992465,-0.784768189,-1.006477132,-0.455193018,-1.11259346,-0.53871309
2028,C21 H30 O9,"11,13-Dihydrotaraxinic acid glucosyl ester",426.1872,8.402983,1.114010959,0.762573548,1.432104295,1.039908071,1.173573517,0.834107268,1.253309567,1.091867109,0.725730028,1.528662223,0.970304443,1.263070492,0.800658921,1.279619756
2029,C23 H38 O8,C23 H38 O8 Esi+13.023984 :1,442.2567,13.023984,1.511120941,1.185645282,1.855231306,1.370132471,1.669834966,1.382851619,1.592294048,1.703495421,1.420221078,2.041436743,1.562916609,1.905588999,1.487555826,1.842719634
2030,<none>,<none> Esi+12.204023,829.0613,12.204023,0.339463438,0.206649779,0.553188322,0.302816326,0.40692355,0.357621623,0.358427963,0.212600035,0.177808165,0.254106126,0.231188394,0.160817024,0.257740913,0.183496048
2031,C49 H76 N10 O11,C49 H76 N10 O11,980.5674,14.298028,0.505205723,0.666544234,0.143788585,0.567963913,0.399792434,0.555252454,0.407344004,-0.335377958,-0.537251292,-0.094546613,-0.316410053,-0.385931539,-0.418772395,-0.281610492
2032,C20 H43 N O2,"N,N-dimethyl-Safingol",329.3289,11.917984,0.727276824,0.905663066,0.44012882,0.637853581,0.69961161,0.804527181,0.665703933,-0.310667135,-0.386142995,-0.220625758,-0.276250946,-0.339374693,-0.392206132,-0.25809594
2033,C10 H19 N O3,Capryloylglycine,201.1363,5.494996,0.0212809,0.091227688,0.02519796,0.169647063,0.057887626,0.09231295,0.071171242,0.018447975,-0.018537559,0.062571068,0.012535929,0.013977592,0.149571431,-0.066092148
2034,C25 H51 O7 P,PA(22:0/0:0),494.335,12.834976,1.579064328,1.763151194,1.391912319,1.453457171,1.766952329,1.326391106,1.828976462,1.167503624,1.335137798,0.967518995,1.107368337,1.237288771,1.056072599,1.239347311
2035,C11 H18 O3,C11 H18 O3,198.1245,5.6040034,1.151967297,1.069623388,1.024389616,1.097576934,0.959704606,1.099492052,0.981330954,0.642485735,0.622498651,0.666329976,0.686543359,0.577842081,0.782076671,0.552486316
2036,C17 H2 N2 O13 P S2,C17 H2 N2 O13 P S2,536.8731,10.927001,0.210846924,0.269265703,0.015837507,0.320619272,0.00121036,0.066061181,0.194322984,-0.066938031,-0.103157254,-0.023729133,-0.085775116,-0.06714957,0.002945089,-0.111994252
2037,C24 H49 N O6 P,"PC(O-16:2(9E,10E)/0:0)[U]",478.3298,9.134012,0.787328288,0.821390765,0.793862959,1.019079658,0.485032333,1.095619963,0.600718102,-0.810498145,-0.757735942,-0.873442528,-1.035780316,-0.519960474,-0.95189637,-0.719333501
2038,C32 H7 N O15 P,C32 H7 N O15 P,675.9566,13.88402,1.907505483,1.904747526,2.01347741,1.952475758,1.950372787,2.056645997,1.899324249,1.028622871,1.061045485,0.989943262,1.046117422,0.988780423,1.099565811,0.982883345
2039,C33 H56 O6,cholesteryl beta-D-glucoside,570.388,14.539009,0.737648421,0.899730562,0.44835532,0.702347532,0.707065273,0.637560661,0.726449849,-0.503588319,-0.660679375,-0.316181444,-0.492130727,-0.514507283,-0.511243848,-0.498652517
2040,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+15.038032",280.24,15.038032,1.622525543,1.706492372,1.382077567,1.597288841,1.527178573,1.543938308,1.579523835,-1.312085927,-1.55294767,-1.024742093,-1.313623635,-1.317179801,-1.209234919,-1.378397761
2041,<none>,<none> Esi+6.5560203,488.8082,6.5560203,0.982211383,0.792681893,1.14920403,0.696081212,1.275555349,0.765376084,1.040730223,0.822229237,0.526818108,1.174649533,0.575152482,1.161810948,0.539073113,1.004790423
2042,C35 H52 O5,Oxepahyperforin,551.3768,9.604986,0.841997257,0.757765509,0.955361447,1.09018355,0.51219286,0.816574152,0.767172338,-0.442011711,-0.384980493,-0.510048955,-0.484213843,-0.402535431,-0.36279311,-0.493086862
2043,C23 H35 N5 O4,Leu Trp Lys,445.2683,12.696028,1.218704033,0.911149091,1.754245564,1.165091615,1.430546036,1.296669291,1.263508587,1.158678601,0.841223294,1.537397212,1.036573806,1.320626808,1.048343913,1.229815439
2044,C15 H24 N6 O5,His Asn Val Esi+8.671008,368.181,8.671008,0.824577803,1.013864892,0.62240421,0.837349011,0.873332464,1.055565146,0.644732217,0.630108826,0.75160827,0.48516212,0.64808499,0.575041533,0.765848238,0.542592626
2045,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.018019",278.2244,16.018019,1.108412533,1.157390918,1.038272151,1.272383788,0.910283419,1.100670434,1.081967828,-0.928741302,-1.042240319,-0.793338965,-1.060947597,-0.737951733,-0.998561946,-0.88372536
2046,C19 H17 N O7,Nedocromil Esi+14.070011,370.0932,14.070011,0.923952298,0.939421839,1.063380253,0.986104139,0.875593532,0.758645627,1.126877086,0.560197321,0.501591512,0.630113023,0.615432664,0.508558239,0.411085797,0.656335014
2047,C29 H46 O6,"9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol",507.3507,9.612034,0.833533614,0.827161174,0.842234263,1.044296603,0.540357602,0.797311086,0.773366971,-0.421092686,-0.407847017,-0.436894537,-0.458108618,-0.388556431,-0.343855106,-0.470890599
2048,C18 H30 O4,"7S,8S-DiHOTrE",310.2188,11.707014,1.13810875,0.998218044,1.35267008,1.246957766,0.964486525,1.090564676,1.153220293,0.630527466,0.591030788,0.677646311,0.679508332,0.542124803,0.614813954,0.640658546
2049,C26 H45 N O7,Tumonoic Acid H,500.3432,9.14402,0.772197567,0.825958383,0.718852037,0.96550616,0.468773,1.070842346,0.566259701,-0.774401965,-0.77132717,-0.77807014,-0.963048484,-0.528376045,-0.962853793,-0.652900128
2050,C26 H33 N O6,Erythroskyrin,472.257,11.029031,0.595151601,0.846471667,0.07476168,0.625203108,0.40228464,0.801081112,0.294866727,-0.072401444,-0.123238155,-0.01175414,-0.083037594,-0.054402126,-0.132302384,-0.033781101
2051,C46 H82 N O10 P,"PS(18:0/22:4(7Z,10Z,13Z,16Z))",856.591,13.615981,0.6153554,0.697085797,0.280619123,0.684813631,0.323212143,0.477735709,0.532945694,-0.239276596,-0.327877311,-0.133577496,-0.228870786,-0.271925735,-0.171591074,-0.282915945
2052,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+11.290022,452.1602,11.290022,0.170442046,0.159524958,0.233461928,0.183617885,0.184942279,0.040877508,0.380940923,0.120740986,0.144982095,0.091821768,0.128436477,0.098119335,0.022899835,0.18382278
2053,<none>,<none> Esi+11.177983,426.8083,11.177983,0.468441936,0.495075799,0.342531362,0.628113644,0.250281327,0.327657393,0.449374563,-0.166876205,-0.173039824,-0.159523116,-0.1623836,-0.196075825,-0.074997662,-0.226113687
2054,C35 H63 O8 P,"PA(14:0/18:3(9Z,12Z,15Z))",641.4201,11.743978,1.369872355,1.360819851,1.463965626,1.345904683,1.351317827,1.372597998,1.445535849,0.718546452,0.744435702,0.68766103,0.736063853,0.665261029,0.764655641,0.688818158
2055,C16 H44 Cl N13 O3,C16 H44 Cl N13 O3,501.357,13.271978,0.041475507,0.269661118,0.398043591,0.040444288,0.15032934,0.048820088,0.043493614,-0.13135366,0.307397328,-0.65477589,-0.006173255,-0.336333876,0.039568135,-0.241553237
2056,C31 H59 N8 O P,C31 H59 N8 O P,590.4535,15.215031,0.386653593,0.409783078,0.226281533,0.256886941,0.484504533,0.237634645,0.375167776,-0.283370299,-0.378509023,-0.16987147,-0.186453005,-0.435430171,-0.203123611,-0.335108295
2057,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.55397",522.4282,16.55397,1.073647914,1.084754496,0.965282619,1.144006815,0.903753492,1.048841,1.030105208,-0.782176358,-0.88958161,-0.654043775,-0.843648813,-0.711636479,-0.780062858,-0.783539009
2058,C23 H34 O4,"Androst-4-ene-3alpha,17beta-diol diacetate Esi+7.740991",385.2311,7.740991,0.509019856,0.788563215,0.0586791,0.550526217,0.250307297,0.807731947,0.235022432,0.210720185,0.380396163,0.008299718,0.278985024,0.091076647,0.412184657,0.080828617
2059,C18 H4 N2 O13 P S2,C18 H4 N2 O13 P S2 Esi+11.992987,550.8894,11.992987,0.867559853,0.75621289,0.834151645,0.858597032,0.652766426,0.886872234,0.74668345,0.552670633,0.540249268,0.567489104,0.598385898,0.469112817,0.648338833,0.49098982
2060,C19 H34 O7,Tsangane L 3-glucoside Esi+9.892986,374.2296,9.892986,0.005701741,0.114319756,0.048638075,0.227447941,0.166684635,0.162116151,0.168980797,0.005102949,-0.144739142,0.183861935,-0.130487797,0.174210071,-0.216232676,0.147806181
2061,C25 H2 O21 P S2,C25 H2 O21 P S2,732.8253,5.263993,2.259330959,2.275811969,2.266750819,2.372227524,2.281601131,2.324898647,2.281216222,2.956464794,2.998648624,2.906140223,2.867978902,3.062010367,3.140821573,2.837603186
2062,C30 H46 O5,Lucyin A Esi+14.643014,486.3339,14.643014,1.33199514,1.401646311,1.094052502,1.374411991,1.148961218,1.296109759,1.218553454,-0.821400771,-0.922796564,-0.700437368,-0.792163532,-0.880041689,-0.797701829,-0.836680352
2063,<none>,<none> Esi+13.018009,552.7174,13.018009,0.1338247,0.040142619,0.395472291,0.044962213,0.339527781,0.117625704,0.265686096,0.117110998,0.090782031,0.148520993,0.120917683,0.099786108,0.128306975,0.109892538
2064,C19 H24 N4 O4,Ala Pro Trp,372.1766,10.417991,2.246557469,2.090317948,2.406292532,2.257807523,2.320697494,2.221826566,2.275793149,3.041962994,2.69904863,3.451053815,2.817544744,3.350495194,2.866318156,3.155207693
2065,C31 H37 N O2 S,C31 H37 N O2 S,487.2539,15.600034,1.442132059,1.552253104,1.143644434,1.518511684,1.260331781,1.430966598,1.400117012,-1.534629145,-1.77003179,-1.25379792,-1.586513121,-1.477270771,-1.661084235,-1.45309889
2066,C15 H24 O7,"Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate",316.1506,5.682006,0.069067273,0.042852438,0.200656792,0.079258993,0.158064658,0.157879247,0.272849879,-0.109902238,0.01017078,-0.253147242,-0.128231557,-0.120018608,0.045326267,-0.209983774
2067,C42 H63 N O7,Spirolide B,692.4531,12.145997,1.892106032,1.838524196,1.84049266,1.90120091,1.785493107,1.871248363,1.872733181,1.346244532,1.381646149,1.304011024,1.390124652,1.257017849,1.431825168,1.291067544
2068,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+10.538991,865.5946,10.538991,0.151855385,0.1011494,0.257286371,0.095187039,0.199850131,0.303085824,0.10723553,0.100364778,0.096667573,0.104775478,0.117135891,0.050811884,0.195967284,0.03872632
2069,C40 H36 N O2 S5,C40 H36 N O2 S5,722.1346,16.698,2.381013369,2.641100265,2.421935059,2.52957943,2.61420127,2.706052582,2.41541137,2.426503022,2.484554796,2.357248275,2.447055391,2.412145505,2.349847813,2.47592546
2070,C14 O15 P S3,C14 O15 P S3,534.8111,6.7170115,1.49953571,1.475909603,1.531509804,1.401156055,1.636793005,1.43083497,1.497340252,1.177106146,0.975716447,1.417360524,0.998221839,1.414540011,0.953484194,1.321283457
2071,C11 H20 N2 O2,"1,4'-Bipiperidine-1'-carboxylic acid",212.1518,4.909992,0.342142599,0.554300967,0.059997631,0.25873924,0.376407889,0.324857581,0.280166611,-0.18437518,-0.413685174,0.089187621,-0.158254779,-0.232812681,-0.251936737,-0.140815754
2072,C9 H8 O3,cis-p-Coumaric acid Esi+0.8509988,164.0472,0.8509988,0.116709435,0.117409006,0.599894301,0.138626244,0.130052607,0.068145948,0.302739259,0.020483054,-0.139626403,0.211490828,-0.032491197,0.092250854,-0.123033114,0.113013216
2073,C13 H22 O4,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one",242.1516,8.310027,0.199296304,0.46031878,0.082749398,0.468061299,0.118358084,0.315783982,0.147289231,-0.120299323,-0.25058136,0.03512486,-0.260828295,0.087426501,-0.143450873,-0.105372667
2074,C44 H74 N O9 P,"PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",791.5048,13.645997,1.115382506,0.970703567,1.308315101,1.175676922,1.023613442,1.017296023,1.160606743,1.253557927,1.099612367,1.437212279,1.287960097,1.199625798,1.237401116,1.263974818
2075,C11 H18 N5 O13 P3,5'-Guanylylmethylenebisphosphonate,538.0421,13.081036,0.092857302,0.022838243,0.404405374,0.00963424,0.302533469,0.08233503,0.232930159,0.098456108,0.060231135,0.144057831,0.101384623,0.082090493,0.106695912,0.093143603
2076,C34 H50 O4,"1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol Esi+11.509017",521.3668,11.509017,0.234653611,0.29982235,0.00143827,0.389482082,0.02989705,0.173337015,0.143327317,-0.06937527,-0.103458604,-0.02871445,-0.082745377,-0.072097704,-0.02359086,-0.098894166
2077,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+10.302983",328.2243,10.302983,0.031220185,0.125402038,0.12539352,0.085356117,0.023222093,0.119549756,0.115524774,-0.026124629,-0.086044007,0.045358139,-0.010504842,-0.050618454,0.074926892,-0.091276267
2078,C20 H32 O8,Cincassiol B Esi+9.360992,400.21,9.360992,0.175372135,0.34125445,0.019896846,0.277294892,0.118463803,0.026387624,0.326191197,-0.11734489,-0.269115676,0.063714995,-0.148850384,-0.09238872,-0.004414785,-0.190155089
2079,C25 H49 N11 P,C25 H49 N11 P,534.3896,14.589041,0.259061512,0.194737411,0.198923708,0.24875709,0.185228061,0.139196976,0.384582552,-0.15618075,-0.131451125,-0.185682758,-0.149035391,-0.19817463,0.201261352,-0.386636842
2080,C10 H20 N6 O4,Asparaginyl-Arginine Esi+6.1459966,288.1572,6.1459966,1.091593478,1.080354736,0.973143987,0.932207382,1.095642813,1.066376615,1.036945359,0.625986507,0.670098017,0.573362249,0.636375927,0.607609879,0.694575343,0.581764757
2081,C16 H28 N6 O4,Pro Arg Pro Esi+9.938985,368.2168,9.938985,2.263480616,2.164945156,2.419922692,2.20865332,2.415833277,2.052481224,2.431316871,2.422863983,2.178644047,2.714214082,2.244157465,2.663824789,2.206744006,2.562204494
2082,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+7.3170104,272.1614,7.3170104,0.070216575,0.157068151,0.444310695,0.137323195,0.15260371,0.113974571,0.265448051,-0.174469872,0.118942232,-0.524505365,-0.165613007,-0.205578503,0.032813802,-0.308113294
2083,C10 H16 N4 O17 P4,Inosine 5'-tetraphosphate,609.9202,11.293967,0.103803801,0.029699258,0.256697521,0.012019057,0.201587427,0.267663453,0.007756477,0.105868193,0.0550384,0.166507243,0.089787453,0.100458612,0.182463832,0.056484162
2084,C11 H21 N O5,C11 H21 N O5 Esi+1.1089978,247.1417,1.1089978,1.314444777,1.440555678,0.910770217,1.217838093,1.202199281,1.420119763,1.25404452,1.110903256,1.460203914,0.6941937,1.199431926,0.968846571,1.227759569,1.035561686
2085,C26 H53 N8 O2,C26 H53 N8 O2,509.4287,15.531005,0.948728379,1.022201528,0.654298698,0.889685409,0.862016328,0.938996559,0.822421254,-0.468850589,-0.590829376,-0.323332037,-0.447135859,-0.510758924,-0.474179675,-0.465414731
2086,C19 H17 N2,Sempervirine,272.1263,5.0100074,0.368100556,0.405203568,0.252473082,0.467711832,0.243863922,0.731128747,0.112614898,-0.119799135,-0.178213699,-0.050111584,-0.151614777,-0.073034577,-0.318572036,0.008357078
2087,C13 H29 S2,C13 H29 S2,249.1654,8.807004,0.19776316,0.046700639,0.528976947,0.339126681,0.044456812,0.036800148,0.307841412,-0.23614002,-0.004994165,-0.51189297,-0.342549196,-0.135431033,0.027963078,-0.406417018
2088,C20 H3 O10 P S3,C20 H3 O10 P S3,529.8625,13.666993,1.839486363,1.917494582,1.950685342,1.876472979,1.983482165,1.974449094,1.926534055,1.022896385,1.077767892,0.95743564,1.039976627,0.983167326,1.087098404,0.981502978
2089,C8 H8 Br Cl2 O3 P S,Bromofos,363.8459,6.378006,1.652212695,1.859191049,1.605508468,1.790685375,1.965359521,1.87371697,1.774035252,-2.158600886,-2.333624449,-1.949800847,-2.009287452,-2.319781053,-1.860985284,-2.35048463
2090,C9 H15 N O,"5-Butyl-2,4-dimethyloxazole Esi+0.8880004",153.1148,0.8880004,0.503398638,0.360956986,0.757386627,0.417260033,0.602236022,0.202952251,0.701659821,0.474334972,0.325574664,0.651803409,0.386666363,0.550941777,0.251679934,0.617888877
2091,C35 H59 O8 P,"PA(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)",638.4021,13.721979,0.621700531,0.630605402,0.479653277,0.426840598,0.645416965,0.366980287,0.678655717,1.509084641,1.717799664,1.260091281,1.329510932,1.707285688,1.19374528,1.712395546
2092,C15 H13 N O2,5-Hydroxy-2-acetamidofluorene,239.0941,2.8159978,0.597747677,0.58674618,0.495591822,0.783022881,0.482734542,0.808112784,0.439296528,0.489513771,0.565935851,0.398343571,0.594806244,0.366029745,0.653261994,0.383939259
2093,C14 H22 N6 O5,Valganciclovir,354.1656,8.744009,1.508599927,1.410513643,1.595305214,1.478827878,1.506415888,1.602121394,1.432949347,1.544505612,1.484870576,1.615649164,1.517311245,1.542720119,1.638357025,1.483996148
2094,C17 H18 Cl N9 O7 P S,C17 H18 Cl N9 O7 P S,558.0489,12.199971,0.203750493,0.077239057,0.50106837,0.111158876,0.4078607,0.157356547,0.337957678,0.132138681,0.090526636,0.181781121,0.123554551,0.124554648,0.117998552,0.141255344
2095,C9 H20 O4,C9 H20 O4 Esi+4.6760125,192.1359,4.6760125,1.285480268,1.422715236,1.028211897,1.402685306,1.186515288,1.255806039,1.239118449,-0.952455065,-1.010010359,-0.883792609,-1.014523536,-0.895752539,-0.92328397,-0.971262745
2096,C14 H12 N4 O2 S,Sulfaquinoxaline,300.0659,5.421009,0.798147552,0.748367978,0.970073986,0.766372402,0.836127226,0.888564875,0.790046668,1.133260406,1.036934069,1.248176035,1.229953234,1.004108138,1.198025766,1.091503791
2097,C23 H46 Cl N O S,C23 H46 Cl N O S,417.2764,10.58498,0.559563305,0.573987981,0.450913136,0.734747577,0.339406041,0.525351141,0.467822648,-0.235374857,-0.240962874,-0.228708451,-0.244039646,-0.246170994,-0.18632885,-0.266996625
2098,C17 H36 O6,C17 H36 O6 Esi+9.506004,336.25,9.506004,0.499475415,0.444517536,0.463678457,0.263522439,0.723319089,0.447833057,0.48077174,-0.485584489,-0.442243468,-0.537289567,-0.366547313,-0.672821502,-0.461652893,-0.50101407
2099,C17 H27 N O4,Metipranolol Esi+7.376985,309.1935,7.376985,0.210716308,0.304883775,0.034462795,0.33173639,0.128324574,0.192878315,0.185777714,0.10401083,0.340156606,-0.177706938,0.220457584,-0.077616745,0.174776828,0.058385384
2100,C25 H42 O8,C25 H42 O8 Esi+11.368008,470.2876,11.368008,1.124884611,1.049629131,1.227270805,1.283242638,1.011857992,1.147683688,1.151105395,1.210101164,1.116401676,1.321883009,1.294599445,1.121224277,1.173558244,1.233661731
2101,C9 H19 N O,C9 H19 N O,157.1466,9.266006,0.820572129,0.995341189,0.641673882,1.045486268,0.470119227,1.186853056,0.625393005,-0.317841732,-0.360509294,-0.266940079,-0.401679873,-0.196531896,-0.411478774,-0.257470481
2102,C33 H60 N6 O4,C33 H60 N6 O4,604.4692,16.229984,0.749823015,0.856258274,0.499664491,0.630339269,0.811421829,0.5472717,0.759933925,-0.551204835,-0.760247099,-0.301821081,-0.453645039,-0.649215535,-0.443205151,-0.62083621
2103,C11 H22 N2 O8,Mannopine Esi+6.2769866,310.1392,6.2769866,1.808784491,1.709500476,1.820272846,1.623778926,1.933714994,1.755269119,1.803971268,1.390047784,1.385936801,1.394952115,1.267307811,1.543297396,1.485107275,1.328759429
2104,C40 H64 O12,Nonactin,736.4364,13.887958,0.849521022,0.622452316,1.014738311,0.8583951,0.733455373,0.721235683,0.871145215,0.508850523,0.415210495,0.620561433,0.533418776,0.466282757,0.458245442,0.541477483
2105,C13 H25 N O5,N-(3S-hydroxydecanoyl)-L-serine,275.1731,3.7540119,1.064227628,1.183379721,0.851469517,0.963590246,1.060656764,1.093199248,1.047230872,0.785337768,0.955883234,0.581880018,0.822592169,0.727816345,0.831045219,0.75586849
2106,C34 H6 O15 P,C34 H6 O15 P,684.9436,11.63698,1.602405776,1.571748162,1.650118757,1.609319704,1.543830175,1.665089378,1.618574533,0.888386571,0.918397518,0.852584039,0.924443339,0.810490294,0.981700504,0.828223641
2107,C18 H30 O5,"(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol",326.2065,10.000983,0.462295426,0.323878063,0.486026803,0.369935618,0.401824761,0.147079712,0.563132632,0.528295224,0.442310109,0.630873959,0.610261459,0.379037754,0.251292103,0.706889342
2108,C14 H22 O7,Garcinia lactone dibutyl ester,302.1339,4.9879985,1.056267572,0.917792444,1.251126956,1.10097635,1.08719494,1.078592119,1.110518425,-0.86268773,-0.720649324,-1.032137055,-0.728602611,-1.023009133,-0.787286184,-0.911301884
2109,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.541008",298.1392,6.541008,2.311366113,2.157271875,2.394821804,2.199489656,2.415689396,2.128177337,2.400358545,2.559392258,2.43746788,2.704845902,2.450057777,2.690211528,2.456039188,2.62602779
2110,C23 H31 N2 O2 S,C23 H31 N2 O2 S,399.2043,6.0439863,0.074174098,0.306552565,0.061389286,0.18535581,0.466278115,0.135388736,0.328296654,-0.049002312,-0.143369315,0.063575868,0.061602378,-0.20335532,0.040169827,-0.106494875
2111,C21 H50 Cl N13 O3,C21 H50 Cl N13 O3,567.3851,13.016036,1.358484228,1.353932849,1.314085751,1.243721768,1.416446851,1.192643778,1.446889881,0.661755151,0.713943243,0.599495674,0.652510122,0.661940124,0.636358159,0.678129528
2112,C26 H4 N O17 P,C26 H4 N O17 P Esi+12.757017,632.92,12.757017,0.522841077,0.524094745,0.673463453,0.745138168,0.265078847,0.643377449,0.509872751,0.257895482,0.241606636,0.277327789,0.381145106,0.073195897,0.318540479,0.218795418
2113,C22 H26 N2 O4 S,Diltiazem,414.1591,6.3499856,1.256562756,1.154180759,1.27933135,1.160344481,1.216390167,1.021513317,1.307070045,-1.657969353,-1.677347583,-1.634851463,-1.486322946,-1.902251383,-1.54538666,-1.730555563
2114,C39 H56 O4,Caffeoylcycloartenol Esi+11.3589735,587.4051,11.3589735,0.745180381,0.639352409,0.72203839,0.662620299,0.543218605,0.675575659,0.653170649,0.499103813,0.506478583,0.490305842,0.562239271,0.383131577,0.595577436,0.436903714
2115,<none>,<none> Esi+12.716004,794.5219,12.716004,1.218029977,1.138395557,1.364378118,1.236613053,1.176124751,1.248712295,1.261159112,0.68895054,0.701978076,0.673408918,0.708653218,0.636483411,0.74013432,0.655950471
2116,C44 H69 N25 O P,C44 H69 N25 O P,994.5831,14.395016,0.051700766,0.172227442,0.184856169,0.022302663,0.042080006,0.003574022,0.0303273,0.040556833,-0.092875806,0.199739631,0.104945873,-0.077849469,0.056360805,0.03036743
2117,C25 H33 D4 N O4,17-phenyl trinor Prostaglandin F2? ethyl amide-d4,419.2985,10.58498,0.740107136,0.747809141,0.591307723,0.927516544,0.467780562,0.69704543,0.636915448,-0.343888172,-0.36352219,-0.320465133,-0.372029951,-0.327957585,-0.308393249,-0.366773057
2118,C14 H24 O4,Monomenthyl succinate Esi+8.769019,256.1668,8.769019,0.707754764,0.553815046,0.770339325,0.584324695,0.692192334,0.573941005,0.733053137,0.550387152,0.486808915,0.626234874,0.554797152,0.535408726,0.520253593,0.569815368
2119,C37 H67 O10 P,"PG(18:3(9Z,12Z,15Z)/13:0) Esi+14.610037",701.4353,14.610037,1.248124912,1.451117626,0.859624031,1.35844004,1.043910979,1.209136987,1.174255796,-0.987304419,-1.249373051,-0.674661139,-0.986301841,-0.967297353,-0.948403032,-1.012385577
2120,C51 H91 N O16,C51 H91 N O16,973.6358,14.647966,0.853305887,0.863933682,0.708874215,0.703490043,0.910385887,0.439981332,1.010097776,-0.630073142,-0.713144461,-0.530970516,-0.445159161,-0.89802719,-0.31778577,-0.831416317
2121,C22 H46 O5,C22 H46 O5,390.3342,14.9839525,0.704911885,0.750056811,0.449851977,0.585299185,0.684541894,0.75534789,0.577374605,-0.34467113,-0.415032171,-0.260731643,-0.30549197,-0.403147498,-0.366002908,-0.330917747
2122,C34 H56 O9,Torvoside G,608.3914,14.601021,0.570429374,0.447169578,0.737713401,0.543580116,0.633098722,0.531486719,0.644011557,0.55081086,0.509642855,0.599923568,0.578400583,0.518285483,0.546459802,0.553616148
2123,C40 H69 N O14,C40 H69 N O14,787.4716,11.135008,0.135968029,0.20945476,0.854695922,0.08893106,0.33232001,0.025840067,0.306694115,0.116356419,-0.048478511,0.313001597,0.110022946,0.127014099,0.050557368,0.15877949
2124,C22 H38 O10,xi-Linalool 3-[rhamnosyl-(1-6)-glucoside],462.2429,6.767981,0.451725579,0.095345162,0.819895426,0.276906689,0.672830006,0.204154969,0.596628126,-0.273212592,-0.056351016,-0.531924648,-0.151921347,-0.458314182,-0.105654291,-0.381243602
2125,<none>,<none> Esi+13.613023,857.0927,13.613023,0.195806825,0.278421233,0.101829635,0.1958458,0.028644608,0.019288797,0.17062268,-0.02553972,-0.078873958,0.038087091,-0.013920484,-0.057869205,0.036933939,-0.065818789
2126,C23 H44 O,7Z-Tricosen-11-one,353.3652,15.481983,0.060548134,0.142119344,0.279403534,0.149853682,0.082596442,0.234793165,0.177272284,0.10707685,0.160012041,0.043926095,0.001745435,0.222560211,0.172156324,0.065117715
2127,C17 H45 N9 O3 P,C17 H45 N9 O3 P,454.3377,13.539006,0.533935813,0.591726685,0.28069898,0.621678017,0.340074165,0.365131695,0.515008745,-0.17125503,-0.218758895,-0.114583752,-0.169809875,-0.183514778,-0.095295002,-0.220229258
2128,C34 H68 N6 O11,C34 H68 N6 O11 Esi+12.836978,736.4939,12.836978,1.179390484,1.205790896,1.239870759,1.209495928,1.105131219,1.327933381,1.169065991,0.680938606,0.719315271,0.635155918,0.723953821,0.594917342,0.800248623,0.604015043
2129,C21 H46 N12 O3,C21 H46 N12 O3,514.366,15.326968,0.870896647,1.058823019,0.489448976,1.004771702,0.635412582,0.896042254,0.777192988,-0.562774448,-0.808214911,-0.269968282,-0.56948026,-0.55701619,-0.553177178,-0.568962161
2130,C23 H49 N O4 P,Elaidylphosphocholine,456.3168,9.125983,0.860294818,0.920065867,0.842560754,1.056029463,0.617501535,1.091183756,0.735268645,-0.843674239,-0.798016634,-0.898142961,-1.026930507,-0.613234109,-0.943256116,-0.779470135
2131,C37 H62 O5,"DG(12:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] Esi+12.597975",585.4444,12.597975,0.023963023,0.01415989,0.163076487,0.012832723,0.109073223,0.196491806,0.02653509,0.064550665,0.055044858,0.075890926,0.095296884,-9.52E-05,0.165736432,-0.000687527
2132,C38 H74 N O9 P,PS(P-20:0/12:0) Esi+13.698979,718.5053,13.698979,0.535529838,0.526540917,0.553500903,0.550490478,0.507790126,0.442735768,0.6262382,0.39433786,0.468833191,0.305466238,0.449499852,0.2997247,0.424636434,0.374803254
2133,C28 H50 N2 O8,C28 H50 N2 O8,542.3574,14.05499,0.257477003,0.485301144,0.030792567,0.240651296,0.237173806,0.286985897,0.229286098,-0.267071365,-0.569169604,0.093326534,-0.359863132,-0.137886854,-0.478846144,-0.130532362
2134,C27 H55 N8 O5,C27 H55 N8 O5,571.4289,12.793965,1.345417831,1.525205776,1.179949102,1.49477382,1.420233741,1.522148196,1.417851327,-1.124338479,-1.373997825,-0.82649926,-1.09081844,-1.159319182,-1.13069073,-1.120242949
2135,C35 H58 O4,(5-D-ribonyl)hopane Esi+12.808031,541.4184,12.808031,0.115598147,0.153783862,0.034052764,0.142670662,0.015277206,0.050999341,0.092506445,-0.013356468,-0.025036468,0.000577567,0.020371906,-0.079170809,0.078543457,-0.072607736
2136,C16 H43 N21 P,C16 H43 N21 P,559.3725,12.579026,1.528707917,1.523973495,1.41238896,1.510549982,1.49021369,1.244647417,1.667204484,1.615086207,1.713328356,1.497885046,1.59522583,1.698272763,1.308587971,1.812696911
2137,<none>,<none> Esi+11.968995,494.6756,11.968995,0.255678183,0.126398974,0.534450984,0.218808446,0.251260672,0.324635151,0.259557374,0.132511318,0.097011968,0.17486142,0.152533554,0.082640226,0.189503936,0.095766078
2138,C46 H81 O10 P,"PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",411.7747,8.238013,0.388067225,0.379487031,0.399436415,0.550802724,0.111964269,0.544887259,0.242580274,-0.285122679,-0.225328834,-0.356455687,-0.369979327,-0.179370324,-0.280919715,-0.287832484
2139,C5 H14 N O,Choline Esi+12.102031,103.0998,12.102031,0.974395704,0.851129622,1.058878903,0.949806509,0.843980829,0.814487584,0.973744936,-0.992420501,-0.963609973,-1.026790956,-1.169649605,-0.768519249,-1.072412308,-0.940846836
2140,C21 H27 N3 O6,Casimiroedine,417.1853,2.4649968,0.958573322,0.839097596,1.068181527,0.864527206,0.927745382,0.804502112,1.028592334,-0.813620436,-0.743447136,-0.897335952,-0.796610141,-0.818416552,-0.819890029,-0.809578199
2141,C33 H44 N4 O6,Mesobilirubinogen,592.322,7.083007,0.236600461,0.266558533,0.152256663,0.236272881,0.214150213,0.053112481,0.29924228,-0.226634662,-0.256748529,-0.190709347,-0.186239688,-0.200158651,0.021428511,-0.38657013
2142,C30 H55 N O11,Descladinosyl-6-O-methylerythromycin,622.4045,14.656005,0.534658808,0.32250514,0.738725753,0.465990091,0.51177881,0.526647217,0.503953053,0.493666636,0.382632258,0.626128701,0.497114546,0.47800292,0.532777461,0.468450447
2143,C42 H73 O8 P,"PA(17:1(9Z)/22:4(7Z,10Z,13Z,16Z))",735.4974,8.120979,0.50977824,0.582432967,0.272391348,0.618047003,0.202925243,0.660272275,0.32764309,-0.443785224,-0.546868167,-0.320809082,-0.498552831,-0.298923731,-0.589296926,-0.349968469
2144,C40 H79 N O7 P,PC(P-18:1(9Z)/14:0),698.4972,14.021977,0.810311266,0.870315409,0.817485716,0.804834874,0.729492724,0.795911879,0.844971621,0.468305995,0.525890016,0.399609268,0.521206269,0.37207837,0.502182952,0.446464273
2145,C12 H14 O4,"2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one",222.0882,8.681016,0.922864412,0.89405714,0.931586272,1.11274663,0.731013772,0.916859988,0.91076039,0.565397114,0.634663365,0.482763691,0.674468641,0.406224565,0.650596698,0.510465803
2146,C10 H25 Cl N6 O5 S5,C10 H25 Cl N6 O5 S5,504.0194,12.844975,0.178696177,0.064952865,0.465912955,0.050170226,0.413108914,0.148881121,0.319450951,0.112362679,0.079428585,0.151652477,0.108610034,0.106328804,0.11968399,0.107642361
2147,C48 H89 N O13,Galabiosylceramide (d18:1/9Z-18:1),454.8111,9.618995,0.331475854,0.243167399,0.418246381,0.403652587,0.18838224,0.064345984,0.392297755,-0.149574248,-0.094736874,-0.214994274,-0.127985782,-0.198961352,0.003392272,-0.2481974
2148,C15 H24 N6 O5,His Asn Val Esi+9.120985,368.1813,9.120985,1.59063933,1.471437385,1.684852149,1.42583545,1.72650601,1.313190049,1.733126467,1.297778681,1.224759731,1.384889007,1.220187153,1.423858193,1.160031144,1.386589593
2149,C18 H34 O5,"9S,10S,11R-trihydroxy-12Z-octadecenoic acid Esi+9.133028",330.2397,9.133028,0.464947823,0.33841432,0.730984426,0.272699366,0.58901168,0.232933782,0.595842533,-0.339897509,-0.236502436,-0.463246016,-0.310876325,-0.401444542,-0.21131489,-0.42279946
2150,C36 H60 N2 O14,C36 H60 N2 O14,744.404,13.6899605,0.599352802,0.648089967,0.366705944,0.468967889,0.605954103,0.329619631,0.651047386,-0.509509648,-0.695406468,-0.287738002,-0.375231443,-0.710674787,-0.363095806,-0.603908046
2151,C18 H33 N O4,10-nitro-9E-octadecenoic acid Esi+8.796006,327.2404,8.796006,0.296926387,0.292415836,0.227201849,0.191344767,0.465487947,0.127155769,0.407652524,0.209434269,0.247612781,0.163887974,0.192634614,0.242929606,0.152038758,0.24643927
2152,C24 H2 Cl3 N2 O25 P S3,C24 H2 Cl3 N2 O25 P S3,949.6899,13.875,0.036293542,0.113813274,0.237627959,0.049174642,0.105510754,0.187180462,0.036093795,0.038063849,-0.015951887,0.102503674,0.065626942,-0.01827796,0.153270758,-0.03621429
2153,C17 H29 N,C17 H29 N,247.2298,11.685037,0.355859878,0.55906252,0.168243351,0.415192254,0.258019969,0.424482697,0.187861876,-0.107502438,-0.258259247,0.07234779,-0.095343588,-0.127828144,-0.14298357,-0.084626446
2154,C40 H68 N6 O12,C40 H68 N6 O12,824.4894,13.62996,0.899873487,0.89392205,0.789354302,0.923752254,0.748800089,0.833785593,0.840552409,-0.708165146,-0.852821983,-0.535592076,-0.675832425,-0.758106125,-0.727410475,-0.695756972
2155,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+4.760007",214.1179,4.760007,0.245524064,0.246949795,0.117997935,0.272700932,0.116172796,0.240524955,0.165273971,-0.204056494,-0.319418642,-0.066431475,-0.275498726,-0.131833354,-0.277641459,-0.156613555
2156,C25 H46 N13 O3,C25 H46 N13 O3,575.3736,11.749019,0.105905372,0.458288331,0.125878387,0.134829817,0.11306218,0.210990693,0.163603,0.185433583,0.36975554,-0.034459278,0.244939687,0.067526306,0.267884626,0.132274358
2157,C20 H28 O3,ent-8-deoxy-J2-IsoP,316.1987,4.747992,0.700235864,0.854425636,0.332558093,0.771102079,0.46044731,0.91536437,0.445536185,0.426104214,0.585993446,0.235359164,0.513420818,0.312240908,0.668057289,0.270108152
2158,C17 H43 N18 O4,C17 H43 N18 O4,563.3724,10.88698,0.857109609,0.827273155,0.866320331,0.888978224,0.750424782,1.01634992,0.738924842,0.388821587,0.427040412,0.3432272,0.425151111,0.307840132,0.506077287,0.313222518
2159,C11 H22 O5 P,C11 H22 O5 P,265.1248,7.1199956,0.528478216,0.45402562,0.492579382,0.507732123,0.344910089,0.47374015,0.491726769,0.436966919,0.453089402,0.417733079,0.516408133,0.298818795,0.487984896,0.404073749
2160,C19 H30 O2,4-Methylphenyl dodecanoate,290.2244,13.690979,0.236958325,0.347462305,0.065485596,0.17734156,0.155174882,0.323461855,0.074891471,-0.158938006,-0.304710483,0.014966001,-0.11714671,-0.185923799,-0.259668663,-0.093993241
2161,C30 H51 N5 O6,C-6 NBD-dihydro-Ceramide Esi+11.843995,577.3877,11.843995,0.152375485,0.199577333,0.117255814,0.186559143,0.002861983,0.025880896,0.119163176,-0.057146038,-0.094815014,-0.012207612,-0.052751295,-0.088926951,0.020378066,-0.107128685
2162,C37 H44 N4 O6,"N1,N5,N10-Tris-trans-p-coumaroylspermine",640.3274,6.2969975,0.612125069,0.273444986,0.920317391,0.698909515,0.610486231,0.684544407,0.50261203,0.377521161,0.200116194,0.589162173,0.341629481,0.440329577,0.340664806,0.401283811
2163,C22 H36 O7,Grayanotoxin I,412.2462,10.806011,0.339645578,0.254416543,0.336944072,0.297049962,0.364664008,0.075466252,0.399962019,-0.245045211,-0.227714173,-0.265720834,-0.136677916,-0.403680021,-0.011886037,-0.39537152
2164,C22 H N2 O18 P,C22 H N2 O18 P,611.8966,11.294992,1.168508201,1.476318766,0.87850927,1.43774585,0.936648066,1.444237956,1.057834645,1.046481793,1.220421312,0.838974998,1.143199628,0.877966012,1.219476289,0.934945868
2165,C24 H30 O6,Clausarinol Esi+11.548014,436.1863,11.548014,0.137993142,0.174088624,0.063311453,0.144327518,0.371184011,0.006448626,0.128424207,-0.018599306,-0.061242916,0.032273773,0.076912276,-0.164339851,-0.005978786,-0.026736219
2166,C32 H63 N2 O7 P,"PE-Cer(d14:2(4E,6E)/16:0(2OH)) Esi+9.545005",617.4295,9.545005,0.531995772,0.524116639,0.556271524,0.495347841,0.552897646,0.471296945,0.564609232,-0.388134001,-0.3671986,-0.413109566,-0.388349006,-0.421272301,-0.307484224,-0.440131884
2167,C18 H32 O3,12(13)-EpOME Esi+15.281986,296.2338,15.281986,1.550560247,1.647824779,1.266406268,1.567950956,1.41476247,1.573510697,1.458056076,-1.783669306,-2.199449699,-1.287650592,-1.818971632,-1.73869371,-1.915953096,-1.698381074
2168,C48 H89 O10 P,"PG(22:2(13Z,16Z)/20:1(11Z))",878.604,13.54704,0.396408808,0.315065357,0.311389056,0.33323278,0.255330327,0.137978548,0.409416341,-0.146758657,-0.146755892,-0.146761956,-0.116214288,-0.206125636,-0.037544205,-0.217173238
2169,C5 H9 O5 P,C5 H9 O5 P,180.0189,1.3350004,0.473049265,0.163301487,1.038498612,0.21372049,1.024350224,0.098138515,0.889184131,0.360162228,0.112527626,0.655585963,0.184625447,0.615836472,0.074042684,0.544634039
2170,C11 H9 N O2,3-Amino-2-naphthoic acid Esi+4.249007,187.0631,4.249007,0.180879632,0.298974655,0.065106803,0.124696547,0.281184223,0.097863098,0.292736323,0.482457959,0.720074959,0.198985046,0.571874485,0.431688201,0.564970725,0.429258938
2171,C9 H18 N O4,Succinylmonocholine Esi+5.144003,186.0893,5.144003,0.203677839,0.450755659,0.197892731,0.38664913,0.031534498,0.330469896,0.074116802,-0.188185229,-0.4422445,0.114903023,-0.316504052,-0.036019703,-0.354485899,-0.08096506
2172,C22 H42 O5,C22 H42 O5,386.3034,13.115982,0.048315434,0.116467912,0.045740091,0.007721156,0.194641786,0.067096254,0.023334511,0.033460144,0.02962351,0.03803718,-0.044838604,0.15931593,0.076411731,0.005767673
2173,C16 H32 O,Hexadecan-3-one,257.2712,10.770997,1.956622614,1.923471804,1.85743462,1.758442848,2.177758459,1.741977979,2.061380431,0.529860709,0.546467302,0.510049335,0.489116062,0.596942607,0.493725279,0.553158552
2174,C12 H18 N4 O3,C12 H18 N4 O3,266.136,4.4680066,0.226764908,0.151981379,0.26394,0.161631862,0.23021044,0.089686939,0.444270734,-0.112138892,-0.024063386,-0.217211425,-0.092408893,-0.139623061,0.0815865,-0.23704079
2175,C15 H43 N14 O4,C15 H43 N14 O4,483.3588,13.877985,0.286431843,0.333443484,0.041838534,0.280069375,0.168872172,0.009550568,0.301815062,-0.100521809,-0.129094339,-0.066435282,-0.073648119,-0.151711837,0.021822173,-0.179401482
2176,C12 H17 N O3,Anhalonidine Esi+0.86500186,223.1202,0.86500186,0.515763868,0.623499622,0.564410949,0.085156498,1.175478015,0.345827656,0.877568987,0.204132337,0.215876721,0.190121492,0.109332945,0.318282297,0.107510018,0.266428305
2177,C19 H28 N6 O6,Phe Asp Arg,436.2072,12.689965,2.210851637,1.965537004,2.38867436,2.163602277,2.264707324,2.024255356,2.274844437,3.064446299,2.747737187,3.442274714,2.908708744,3.283205937,2.838929943,3.209845003
2178,C31 H64 Cl2 N6,C31 H64 Cl2 N6,586.44,15.899965,1.272463957,1.308090387,1.123102821,1.211891616,1.181979103,1.292860974,1.151236269,-1.36397809,-1.52213981,-1.175293932,-1.345728844,-1.39201357,-1.474165614,-1.292936133
2179,C25 H51 N8 O5,C25 H51 N8 O5 Esi+10.17 :1,543.3976,10.17,0.120177965,0.097663795,0.095102329,0.050539418,0.16800851,0.093324792,0.217954531,-0.058155174,-0.057712337,-0.058683472,-0.023367198,-0.141642086,0.096107313,-0.157613884
2180,C27 H49 N3 O7 S,C27 H49 N3 O7 S,559.3269,10.139003,1.322118401,1.155740369,1.287721585,1.261022895,1.204053807,0.988301574,1.375356144,-1.552880188,-1.533657274,-1.575812787,-1.560190769,-1.54549217,-1.432742666,-1.630337275
2181,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside",356.2196,12.749019,2.053945869,1.763791289,2.249880034,1.923905387,2.147562335,1.834341325,2.14013806,2.40648267,2.138510604,2.726168645,2.249327748,2.62921137,2.197132475,2.541458454
2182,C42 H68 O14,Jujubasaponin VI Esi+13.612041,796.4585,13.612041,1.801463015,1.624419371,2.059615933,1.803291436,1.867499843,1.722742662,1.901354338,1.902394312,1.728043069,2.110392288,1.843928541,1.967396586,1.769800226,1.987882605
2183,C21 H34 N4 O4,Leu Lys Phe,406.2539,9.116971,0.445269188,0.46212284,0.339437691,0.267415467,0.514786333,0.393563565,0.457919086,0.271649312,0.341538307,0.188272967,0.253210473,0.268679131,0.323134366,0.238455
2184,C20 H32 O8,Cincassiol B Esi+11.580008,422.1912,11.580008,1.94745797,1.698406381,2.201030293,1.808249168,2.164606181,1.732011303,2.09185139,2.751820873,2.383781181,3.190885768,2.496821844,3.093549788,2.412145179,2.970822307
2185,C38 H73 O12 P,PI(P-16:0/13:0),752.489,11.302001,1.143370211,1.119700445,1.201398232,1.151516677,1.034947524,1.233236178,1.112326484,0.634384333,0.661882419,0.601579598,0.672300839,0.548661252,0.740021193,0.566276357
2186,C36 H6 N7 O11 P,C36 H6 N7 O11 P,742.9858,12.444016,1.363965365,1.351493364,1.451164511,1.360025963,1.361893201,1.395676819,1.411105009,0.759486856,0.794534777,0.717675301,0.788799192,0.69761961,0.820263163,0.720302131
2187,C44 H81 O10 P,"PG(18:0/20:3(5Z,8Z,11Z))",799.5447,16.871029,0.259051277,0.177317434,0.34671871,0.313092061,0.183410171,0.082750848,0.371496834,-0.117062104,-0.100951086,-0.136282266,-0.111833568,-0.117333444,0.093669453,-0.252928503
2188,C22 H38 O5,7-F2-dihomo-IsoP,382.2703,13.042984,0.155220513,0.031286954,0.48027336,0.325934535,0.043410084,0.026514786,0.335329458,0.115761605,0.029946311,0.218137744,0.210935311,-0.001155031,-0.006266576,0.194437668
2189,C42 H66 O13,Momordin Ia Esi+13.774974,778.4474,13.774974,0.582914069,0.328531372,0.946100014,0.60596898,0.582631487,0.512140015,0.664409104,0.484723136,0.333116477,0.66558722,0.50348149,0.458840614,0.425226092,0.523083072
2190,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.913986,285.2663,9.913986,0.221933273,0.084967427,0.429807167,0.397397919,0.068648707,0.528437822,0.119613047,0.195088976,0.055206118,0.361966773,0.290713937,0.069425921,0.290072419,0.133849652
2191,C28 H7 N6 O15 P,C28 H7 N6 O15 P,697.9699,13.834975,1.874859892,1.867514165,1.910965095,1.795949232,2.053823196,1.982042534,1.877808957,1.582033056,1.658620551,1.490665519,1.567749441,1.58168162,1.697494472,1.507590828
2192,C12 H20 O5,"Polyethylene, oxidized Esi+4.5609927",244.1286,4.5609927,0.056955537,0.059129757,0.277730868,0.061834606,0.204718361,0.174064376,0.088683372,0.03840955,-0.10549195,0.210081514,-0.036168252,0.136375433,0.09924426,-0.00081283
2193,C31 H44 O3,"1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorcholecalciferol",463.3242,9.626978,0.787333471,0.709268887,0.884669528,1.029571128,0.550901394,0.746225655,0.746227623,-0.443639327,-0.381780235,-0.517436139,-0.469600273,-0.429571595,-0.363702344,-0.495177646
2194,C19 H33 N O4,Tumonoic Acid A,339.2402,9.0909815,0.165022343,0.146995048,0.185940248,0.068458668,0.394582724,0.06887502,0.286704053,0.128341685,0.182839873,0.063326302,0.056244524,0.210348606,0.088095168,0.154290097
2195,C15 H24 S,Mintsulfide,236.1618,5.1610084,0.091672783,0.108532319,0.355770155,0.096666669,0.280864936,0.181338126,0.078137974,-0.072297736,-0.002488789,-0.155578586,-0.027841266,-0.14591407,-0.05516883,-0.083341373
2196,C18 H30 O3,C18 H30 O3,294.2184,15.226024,0.730305309,0.530146439,0.819613765,0.454134721,0.886535265,0.495374241,0.708058199,-0.453736064,-0.361518268,-0.563750277,-0.299206056,-0.665137044,-0.385533932,-0.497708492
2197,C30 H50 O6,Theasapogenol A Esi+16.700987,506.3578,16.700987,1.104479393,1.073886757,0.898204657,1.056837047,0.962130077,0.955614969,1.022888496,-1.115988783,-1.194625701,-1.022176319,-1.093651905,-1.144556967,-1.129093558,-1.107539651
2198,C4 H7 N3 O,3-(N-Nitrosomethylamino)propionitrile,113.0585,0.9149975,0.441424322,0.300897739,0.598076514,0.020917957,0.840993936,0.054453411,0.634957183,0.212906988,0.198432152,0.230175213,0.036699411,0.452158478,0.064361748,0.308679577
2199,C33 H48 O3,"1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol Esi+12.826978",491.3561,12.826978,0.240438755,0.046965231,0.536118628,0.16671035,0.362529362,0.16211041,0.308349408,0.066145375,-0.02231117,0.171672482,0.011371566,0.162693618,-0.034484813,0.131025365
2200,C30 H59 N O8 P,PC(4:0/18:1(9Z)),591.3819,6.261994,0.072194777,0.044202931,0.272172776,0.065048505,0.166400183,0.154335729,0.243287278,-0.068889517,0.019388023,-0.174203075,-0.036277746,-0.133035391,0.081410332,-0.165793368
2201,C23 H44 N O6,hexadecanedioic acid mono-L-carnitine ester Esi+14.4040365,412.2821,14.4040365,0.57304562,0.25833746,0.900191674,0.492138787,0.541867141,0.521023559,0.577601003,0.464370641,0.281639395,0.682365812,0.466138371,0.467309875,0.459818424,0.467305624
2202,C35 H61 N O12,Oleandomycin,687.42,14.302001,0.892864085,1.051534976,0.506894958,0.924438173,0.736006684,0.884736813,0.752556434,-0.560980455,-0.796909129,-0.279521685,-0.536782337,-0.592658012,-0.580270936,-0.548543171
2203,C25 H29 N13 O20 P S,C25 H29 N13 O20 P S,894.1104,13.170971,0.204490323,0.271027123,0.043948681,0.218021166,0.013611076,0.089410257,0.197644439,-0.024486257,-0.076070035,0.037052285,-0.023954826,-0.041534931,0.012540851,-0.048358998
2204,C38 H65 N O13,C38 H65 N O13,743.4454,11.141026,0.059648398,0.278784838,0.776548503,0.000827749,0.260837076,0.050678725,0.227638963,0.084788617,-0.075876724,0.276459549,0.074541659,0.09761535,0.023190723,0.124503048
2205,C44 H72 O11,Oligomycin D Esi+8.573981,798.4939,8.573981,0.498477022,0.703326538,0.135006648,0.49778646,0.291324998,0.808207896,0.236971518,0.237713688,0.379548484,0.068507265,0.300386911,0.122484369,0.450960671,0.100225502
2206,C27 H47 N7 O6,JSTX-3,582.3882,12.475021,1.230338057,1.192402194,1.302536855,1.32002689,1.161306836,1.225187666,1.256156737,-1.039770507,-0.832630653,-1.286884718,-1.006291488,-1.11528477,-0.833825261,-1.172550995
2207,<none>,<none> Esi+6.06898,378.7429,6.06898,0.909009249,0.648941458,1.164278771,0.726216048,1.189871914,0.844343294,0.901658049,0.699742164,0.411778066,1.043278282,0.456317565,1.040742311,0.491597801,0.833940504
2208,C32 H60 O11,Butyl 4'-O-hexadecanoyl-neohesperidoside Esi+11.6310215,620.4099,11.6310215,0.981090842,1.004356646,0.970076462,1.013549766,0.81964141,1.141386779,0.900264661,0.530287347,0.583986448,0.466225261,0.586914938,0.420441522,0.666489225,0.442472977
2209,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+8.719978",427.3115,8.719978,0.804021882,0.706406452,0.875166178,0.901356493,0.64577948,0.739780394,0.764236259,-0.428650444,-0.353169638,-0.518697722,-0.433249757,-0.446077372,-0.351602706,-0.47832596
2210,C22 H45 N O4,C22 H45 N O4,387.3352,12.291014,0.855079957,0.848000775,0.722319276,0.713514841,0.955379992,0.689335825,0.904807131,-0.778770434,-0.936926213,-0.590093364,-0.750625437,-0.852218182,-0.777726614,-0.779443422
2211,C10 H16 N5 O13 P3,2-Hydroxy-dATP,524.0264,11.876974,0.210874646,0.113953294,0.46520194,0.207483014,0.272027894,0.3768369,0.16063135,0.109982296,0.064521526,0.164216197,0.107709033,0.087838073,0.152714867,0.082431033
2212,C28 H57 N8 O3,C28 H57 N8 O3,553.4544,15.512956,0.859405377,0.898939104,0.611068359,0.779710126,0.799138268,0.824281117,0.74238949,-0.394216105,-0.492879406,-0.276512518,-0.362304998,-0.44775666,-0.391129864,-0.396205918
2213,C12 N O14 P S2,C12 N O14 P S2,476.8525,13.418963,0.482219191,0.596948536,0.214461838,0.651525461,0.254913948,0.472617202,0.371726013,-0.154241737,-0.194063577,-0.106734981,-0.144867312,-0.178172709,-0.103393493,-0.187025473
2214,C30 H40 N2 O6,SLF,524.2932,12,0.740876008,0.575984384,0.960827599,0.825327924,0.639685328,0.695659463,0.766318677,0.682634339,0.565517863,0.822352241,0.767319836,0.55893166,0.658917272,0.697925607
2215,C35 H69 N2 O7 P,"PE-Cer(d15:2(4E,6E)/18:0(2OH)) Esi+11.634017",682.4659,11.634017,0.051690049,0.065981326,0.338941162,0.01649478,0.164990046,0.162090146,0.067487705,0.051064016,-0.00391023,0.116647327,0.055811369,0.021246031,0.118646783,0.007490916
2216,C12 H20 N2 O2,Aspergillic acid,224.1518,3.422991,1.355934025,1.337326572,1.386536172,1.475992018,1.29014529,1.341063439,1.344942723,0.328386549,0.343810753,0.309985744,0.352760933,0.306566542,0.359315038,0.308445813
2217,C26 H54 N O7 P,PC(2:0/O-16:0)[U],522.3559,9.150005,0.654889993,0.721824403,0.622335057,0.907585652,0.311849147,1.003393399,0.445216453,-0.7652991,-0.760177202,-0.771409434,-1.000571819,-0.451443972,-0.982160558,-0.625480528
2218,C19 H O22,C19 H O22,580.8964,13.874019,1.98347457,2.02828993,2.079788563,2.031682531,2.084111159,2.153450653,2.000229592,1.066631875,1.12329173,0.999037662,1.086550365,1.023330621,1.151638864,1.011824738
2219,C36 H60 O8,Ginsenoside Rh4 Esi+13.219975,637.4502,13.219975,0.628825987,0.735649754,0.353868318,0.817615832,0.310130001,0.690732968,0.453022186,-0.227632309,-0.275791587,-0.170179137,-0.242092763,-0.217498876,-0.229575725,-0.226379318
2220,C14 H16 N2 O3 S2,Pyochelin,323.0516,3.1049967,1.369773401,1.292923855,1.349108571,1.321551135,1.383851347,1.19660818,1.393478638,0.661369034,0.732618292,0.576369918,0.638950395,0.734474211,0.64296459,0.673235057
2221,C47 H92 N O10 P,PS(22:0/19:0),861.6354,14.11598,0.674098669,0.724917673,0.252309016,0.664570887,0.418444987,0.586618758,0.562927014,-0.316519936,-0.431651917,-0.179169503,-0.319012003,-0.316547148,-0.315411786,-0.317234401
2222,C9 H6 N2 S,Brassilexin,174.0268,4.068985,1.182839293,1.395996073,0.71998195,1.132260001,1.095893827,1.272769659,1.06463821,1.243044355,1.503050488,0.932861599,1.219846938,1.250486649,1.299097624,1.206904747
2223,C47 H84 N O10 P,"PS(19:0/22:4(7Z,10Z,13Z,16Z))",852.5773,13.662037,1.170711863,1.133230356,1.208695264,1.127327243,1.116797687,1.283325558,1.111549598,0.778033863,0.80762473,0.742732478,0.800501334,0.721202983,0.910526005,0.692611297
2224,C25 H41 F O4,"2?-Fluoro-19-nor-22-oxa-1?,25-dihydroxyvitamin D3",424.3026,9.474015,0.23123493,0.241678625,0.282699513,0.290451487,0.207462213,0.338968181,0.196177491,0.204134767,0.212880479,0.193701285,0.184582138,0.203097533,0.309694367,0.136076603
2225,C16 H32 N6 O4 S,Arg Val Met,426.2032,11.969976,2.205663475,2.011825213,2.534091881,2.095651503,2.442226176,2.097838403,2.32046593,2.334929319,1.98909315,2.747505801,2.155954942,2.603441168,2.107006302,2.481879685
2226,C8 H18 N O2,Methacholine Esi+3.796007,142.0986,3.796007,0.120534066,0.023701807,0.196995926,0.018032313,0.244948144,0.076499615,0.141087259,0.053711684,0.032734254,0.078737392,0.012725941,0.124006804,0.035365398,0.065540211
2227,C15 H7 N5 O20 P,C15 H7 N5 O20 P,607.9407,14.158989,0.474863466,0.611637818,0.120000342,0.588006772,0.25056355,0.433285723,0.403427794,-0.178198369,-0.255153004,-0.086392839,-0.176558766,-0.186438663,-0.147463111,-0.198014522
2228,C12 H20 N2 O3,Pirbuterol,240.1468,1.1049995,0.779501504,0.753310508,0.804287086,0.494175636,1.153122611,1.025296551,0.595420883,0.515001125,0.564423754,0.456040797,0.383440981,0.705771291,0.668114798,0.4162831
2229,C42 H73 O9 P,"PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+7.343011",375.7453,7.343011,0.129211761,0.059359885,0.449127434,0.170423127,0.183568574,0.13584105,0.328171635,-0.088062385,0.043790802,-0.245360924,-0.059588977,-0.147612809,0.083834854,-0.198890868
2230,C24 H40 N6 O7,C24 H40 N6 O7,524.2961,11.854003,1.014352086,0.785629909,1.34307838,0.939935843,1.098054611,0.959093173,1.080667945,1.396820398,1.139445224,1.703864465,1.367181478,1.417492666,1.305406304,1.455758432
2231,C5 H14 N O,Choline Esi+11.41502,103.0997,11.41502,1.163077946,1.120218697,0.983307098,1.023374627,1.021542093,0.963472851,1.088842164,-1.550054471,-1.57601077,-1.519089062,-1.566032628,-1.532716315,-1.623886989,-1.502451927
2232,C10 H16 N6 O2 S,Cimetidine sulfoxide,284.1011,7.223016,0.994455547,0.743566024,1.139970238,0.820823425,1.044823045,0.733991002,1.06624503,0.629166934,0.53424696,0.742404797,0.558938132,0.723220349,0.511785689,0.704846947
2233,C44 H78 N O10 P,"PS(16:0/22:4(7Z,10Z,13Z,16Z))",828.5593,12.199971,0.19284429,0.273512005,0.077860812,0.264021299,0.056818572,0.101492595,0.125419415,-0.032736388,-0.096648388,0.043509506,-0.033653682,-0.052987111,0.008792983,-0.059511904
2234,C16 H22 N4 O3,Eseramine,318.1674,7.732017,1.21537584,1.152980469,1.425545331,1.23888678,1.206741112,1.402753963,1.182801573,0.980744848,0.901752518,1.07498131,1.119667321,0.808192314,1.139412661,0.878445862
2235,C35 H56 N2 O6,3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone,622.3892,8.49099,0.48374868,0.703613745,0.121910184,0.453136794,0.35351181,0.695581687,0.30775615,0.197808064,0.33813499,0.030400504,0.230216774,0.133455098,0.343757147,0.103709314
2236,C5 H4 N4 O,Allopurinol Esi+0.84199876 :1,136.0382,0.84199876,0.969828098,1.074807267,0.585769398,0.905331651,0.875974932,0.904930353,0.868393856,-0.6354338,-0.942017474,-0.269684854,-0.653104694,-0.611347325,-0.811995092,-0.521598229
2237,C28 H55 N O7 P,"PC(20:2(11Z,14Z)/0:0) Esi+11.3989935",565.3929,11.3989935,0.014869169,0.091334984,0.161104995,0.132798965,0.134814312,0.07368447,0.016894006,0.058390917,0.040508723,0.079724062,0.068006655,0.018781326,0.135543138,0.008648038
2238,C25 H2 N O16 P,C25 H2 N O16 P,602.9097,13.768011,1.797971903,1.855642522,1.764947152,1.796784739,1.825051828,1.850160383,1.825813418,1.405964366,1.49978178,1.294041837,1.434168521,1.348245408,1.485183972,1.354888567
2239,C14 H16 N4 O3,Piromidic Acid,288.1188,4.564007,0.225741509,0.064085671,0.469398613,0.20096142,0.260441229,0.213814786,0.191874387,0.205468679,0.028629797,0.416434363,0.138137415,0.32098839,0.121244834,0.259770895
2240,C44 H70 O9,Mycolactone,742.4983,13.664007,1.002612147,1.015170167,0.932774116,0.869774239,1.102745407,1.041970664,0.980102291,0.633387064,0.714724187,0.536353303,0.59580391,0.671155223,0.697223759,0.592229195
2241,C17 H26 O5,Valdiate Esi+10.484988,310.1755,10.484988,1.939089615,1.839144197,2.246720164,1.807037046,2.270723936,1.727876886,2.202044628,2.230835254,1.942128292,2.575257594,1.929010544,2.62885859,1.980339678,2.39233898
2242,C22 H34 N4 O,1-Naphthylacetylspermine,370.2706,11.994009,2.268167395,2.101799878,2.473856925,2.204407798,2.426042838,2.059936806,2.423954254,4.175921601,3.663377533,4.787377681,3.884672534,4.564047152,3.783630396,4.428846193
2243,C16 H28 O6,Perilloside C Esi+9.207008,316.1869,9.207008,0.316635494,0.045548626,0.615383189,0.297874797,0.15240138,0.338738955,0.226177152,0.287797922,-0.021422386,0.656692324,0.385361997,0.136058852,0.386681194,0.224044233
2244,C28 H34 N5 O24 P S,C28 H34 N5 O24 P S,887.101,12.843995,0.082639345,0.116566853,0.10809886,0.078267626,0.095997635,0.029938965,0.068830702,0.03568609,-0.002775738,0.081570375,0.043032896,0.003663175,0.080655267,0.006692804
2245,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+5.0579934,170.0941,5.0579934,0.365235993,0.560688849,0.008805589,0.542874709,0.273440258,0.384787279,0.354369584,-0.383781974,-0.654300752,-0.061057818,-0.452279816,-0.306795017,-0.433916564,-0.351458357
2246,C50 H84 O7 P2,Decaprenyl diphosphate Esi+14.702951,875.5969,14.702951,1.062389385,1.082309401,0.968848577,1.102038792,0.899606789,0.919456247,1.060321972,-0.82780176,-0.939685731,-0.694326145,-0.773302448,-0.896889768,-0.686854252,-0.91867581
2247,C11 H22 N4 O14 P S2,C11 H22 N4 O14 P S2,529.0325,12.303972,0.575433392,0.665418099,0.301059164,0.688503725,0.257952087,0.496373844,0.50000133,-0.200363124,-0.288827239,-0.094826986,-0.221111615,-0.1894239,-0.194441723,-0.204180869
2248,C16 H46 N13 O5,C16 H46 N13 O5,500.3735,10.194994,0.389636826,0.353681627,0.378941835,0.506976116,0.273361408,0.203731173,0.427493213,-0.188880152,-0.151658025,-0.233285497,-0.163456042,-0.254308154,-0.038624048,-0.285755799
2249,C30 H50 O9,Notoginsenoside R10,554.3452,6.788977,0.968870815,0.737639367,1.133034473,0.659589557,1.242942213,0.728069869,1.020896789,0.699651791,0.462427733,0.982655931,0.494680867,0.977377236,0.479130837,0.841829775
2250,C21 H36 N O,Tridihexethyl,317.2707,9.922016,0.207417439,0.316202238,0.034397418,0.252342208,0.162197405,0.162402298,0.214010577,-0.073531404,-0.096324367,-0.046339798,-0.047186349,-0.119845403,0.010348918,-0.127612138
2251,C28 H57 N O7 P,PC(20:1(11Z)/0:0) Esi+11.990982,550.3879,11.990982,0.847098799,0.835139677,0.800229593,0.932629168,0.635194124,0.900390389,0.773781721,0.638627009,0.656200143,0.617662569,0.704551691,0.526527031,0.741833936,0.572085701
2252,C16 H26 N6 O2,C16 H26 N6 O2 Esi+11.579008,334.2101,11.579008,0.109713487,0.301018296,0.090316551,0.009040104,0.256286263,0.01284739,0.209709561,0.119623574,0.334618528,-0.136861635,0.017514946,0.21501915,0.093965444,0.136166315
2253,C21 H2 N2 O22,C21 H2 N2 O22,633.9095,11.246009,1.471662508,1.426130868,1.417135747,1.427988759,1.397385528,1.449847512,1.437052938,1.020360965,1.077248075,0.952495641,1.059623374,0.936484604,1.108319708,0.963650723
2254,C20 H39 N O,N-Hexadecanoylpyrrolidine,309.3025,15.379949,1.868150062,1.959416894,1.586603124,1.823250226,1.875768577,1.964908955,1.791991517,-1.377475148,-1.553020281,-1.168052884,-1.337616547,-1.421829019,-1.433680718,-1.341237346
2255,C19 H2 O20 S,C19 H2 O20 S Esi+12.469975,581.886,12.469975,1.198070426,1.344533143,0.980349613,1.155904098,1.134498018,1.23264932,1.141818794,0.754476224,0.881959734,0.602390632,0.784384479,0.690575873,0.812462068,0.717090614
2256,C22 H48 N2 O5 P,SM(d17:1/0:0),473.3104,11.12899,0.844284269,1.070015838,0.560727346,0.828863117,0.739664687,1.091714811,0.655413164,0.69483306,0.88160902,0.472012616,0.738771041,0.602207278,0.915786983,0.552375926
2257,<none>,<none> Esi+14.086972,820.0745,14.086972,0.446141096,0.592429702,0.061277195,0.433267074,0.268819091,0.295406313,0.40384268,-0.143382761,-0.228010357,-0.042423525,-0.111073824,-0.185598685,-0.090683294,-0.177360049
2258,C21 H40 N O4,cis-5-Tetradecenoylcarnitine Esi+11.046003,350.2569,11.046003,0.629026481,0.548187141,0.726471697,0.42493563,0.852199557,0.515194364,0.735505204,0.64666198,0.613484505,0.686242126,0.540658933,0.77848238,0.628717897,0.658231192
2259,C9 H13 N O2,4-(1-Hydroxy-2-(methylamino)ethyl)phenol,167.0947,3.5070052,0.435524056,0.459672355,0.40578851,0.390904087,0.589157696,0.382450942,0.467201237,0.431927929,0.483297354,0.370645106,0.309296113,0.604840899,0.411924654,0.444824778
2260,C37 H62 Cl N2 O2 S,C37 H62 Cl N2 O2 S,633.4218,12.75299,0.055355206,0.152850179,0.02754627,0.158128481,0.278309183,0.2523681,0.290201089,0.04155084,0.12560729,-0.058727031,-0.003299411,0.083667137,-0.070394192,0.113725926
2261,C7 H19 N10,C7 H19 N10,243.1813,9.592019,0.590651493,0.617836069,0.459224522,0.521295158,0.409662459,0.628647728,0.329942718,-0.434037571,-0.410571294,-0.462032428,-0.386547375,-0.468767982,-0.474436746,-0.407990735
2262,C36 H65 O8 P,"PA(20:3(8Z,11Z,14Z)/13:0) Esi+12.720965",655.4367,12.720965,1.298628498,1.325001415,1.249749436,1.358041919,1.224540818,1.289571303,1.31861792,0.761470121,0.820287323,0.691302231,0.804687081,0.680828529,0.801589662,0.735603575
2263,C18 H45 N16 O2 P,C18 H45 N16 O2 P,548.363,10.569995,0.988956146,0.884638729,1.169678888,1.072550565,0.888577173,0.985085249,1.002793592,-0.753108228,-0.69485772,-0.822600061,-0.781952854,-0.740712897,-0.695787629,-0.790064929
2264,C36 H28 N2 O6 P,C36 H28 N2 O6 P Esi+9.972001,615.1684,9.972001,0.163701307,0.1081608,0.22710358,0.249943747,0.100929045,0.360336661,0.053544444,0.414708559,0.421907389,0.406120481,0.477226529,0.271509388,0.600490853,0.294927869
2265,C48 H91 O13 P,PI(22:1(11Z)/17:0),928.5935,11.061017,1.043709987,1.026659845,1.02676686,1.10327916,0.849440912,1.169092428,0.946362198,0.692170101,0.737409371,0.638200446,0.775311982,0.541197293,0.850498681,0.590089833
2266,C42 H58 O6,Fucoxanthin,680.4116,14.339042,0.178109331,0.39614182,0.143505733,0.169375551,0.257334521,0.111392498,0.202503759,-0.082230776,-0.244667326,0.111553178,0.015937399,-0.207196265,-0.019081607,-0.122945372
2267,<none>,<none> Esi+13.418963,478.8287,13.418963,1.582395171,1.891641208,1.481391858,1.499941438,1.894831508,1.878920637,1.611347225,0.914100384,1.033668974,0.771457154,0.90644328,0.907662136,1.007645679,0.853788286
2268,C21 H28 N4 O4,Val Pro Trp,400.212,9.035998,0.383677952,0.484521102,0.266338057,0.538435912,0.159643603,0.836906419,0.126734974,0.266792142,0.370728304,0.142798124,0.399699091,0.080115956,0.580126307,0.064774062
2269,C18 H38 O7,C18 H38 O7 Esi+8.704987,366.261,8.704987,0.427981876,0.293300971,0.532882161,0.488560736,0.252014686,0.360300841,0.384309237,-0.304066558,-0.186418623,-0.44441848,-0.31639757,-0.310536772,-0.196051929,-0.373707569
2270,C18 H13 N5 O22 P,C18 H13 N5 O22 P Esi+13.05902,681.9777,13.05902,0.572546107,0.6970151,0.278839537,0.757845988,0.261553167,0.625039327,0.406804329,-0.207275042,-0.263232181,-0.140519158,-0.217305102,-0.205783647,-0.203809436,-0.209509446
2271,<none>,<none> Esi+13.041014,447.8316,13.041014,0.667559315,0.755867688,0.48593474,0.889043009,0.396381632,0.743613505,0.521421369,-0.226423897,-0.246402131,-0.202590214,-0.233587859,-0.226972791,-0.214971136,-0.233807914
2272,<none>,<none> Esi+12.492984,484.6722,12.492984,0.020645156,0.033054803,0.20075715,0.025544261,0.097267472,0.078526108,0.070291343,0.064594016,0.055385296,0.075579858,0.096733246,0.00654856,0.112875536,0.033465141
2273,C34 H8 N5 O16,C34 H8 N5 O16,741.9959,13.631033,1.529701107,1.48343626,1.664308083,1.507395221,1.586984697,1.545309847,1.597225019,0.827433833,0.854187259,0.795517466,0.837269167,0.796853855,0.859512109,0.806751787
2274,C42 H75 Cl N5 O2 P,C42 H75 Cl N5 O2 P,747.5335,11.310036,0.030981382,0.022715757,0.092248218,0.028146428,0.059408208,0.226292858,0.034857271,0.076848997,0.092864726,0.057742515,0.123599186,-0.017629999,0.219125529,-0.014881924
2275,C7 H17 N4 O4 P,Anatoxin a(s),252.0972,4.5079966,0.943119008,1.020854166,0.836567111,0.762653246,1.068198973,0.945551374,0.912177419,1.115361306,1.207717367,1.005182147,1.074241699,1.153961349,1.152229576,1.091590974
2276,C10 H22 O5,C10 H22 O5 Esi+4.559004,222.1462,4.559004,0.009784792,0.04647969,0.210164876,0.072532387,0.001419883,0.126167527,0.046064516,-0.062066686,-0.163174556,0.058553229,-0.057404588,-0.082202568,-0.012227023,-0.094200153
2277,C26 H28 N10 O23 P,C26 H28 N10 O23 P,879.1054,13.550031,0.680663503,0.747593587,0.35494163,0.748961621,0.392107131,0.546258667,0.60611201,-0.259209898,-0.350282162,-0.150562284,-0.252128713,-0.287826671,-0.202458433,-0.295799658
2278,C22 H43 Cl N3 P S,C22 H43 Cl N3 P S,447.2601,6.3800044,1.286764779,1.054252817,1.332011998,1.108151305,1.266904263,0.982020295,1.286120066,1.158541592,0.904118972,1.462063314,0.983576833,1.39668405,0.8887322,1.332497647
2279,C26 H41 N O5,C26 H41 N O5,447.2907,9.369008,0.078528769,0.143516366,0.144929376,0.313223047,0.396206673,0.362665305,0.265835913,0.121430165,0.32425266,-0.120533513,0.440061801,-0.369825833,0.551067205,-0.155572662
2280,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.9019866,284.1249,5.9019866,2.212073054,2.313700346,2.082631403,2.247980718,2.25212083,2.124104198,2.320412552,2.173544149,2.206685771,2.134006775,2.087283394,2.268086137,2.155428432,2.185224019
2281,C28 H53 O12 P,PI(19:1(9Z)/0:0) Esi+12.854984,612.3278,12.854984,2.364008376,2.181663529,2.592488323,2.294512506,2.532334394,2.189187106,2.521159921,3.557323563,3.324757083,3.834771294,3.419764594,3.733274503,3.315410581,3.713293775
2282,C21 H34 N4 O4,Phe Lys Leu Esi+10.006004,214.1197,10.006004,0.678817017,0.571181072,0.939563621,0.748836753,0.654306102,1.034317552,0.489564003,0.719454824,0.603035909,0.858340546,0.738603924,0.655371051,0.976308489,0.553851803
2283,C34 H58 O10,"(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 6-O-beta-D-glucopyranoside",643.4336,14.978023,0.90738362,0.9990713,0.658650089,0.88170861,0.75237893,0.774103716,0.855092013,-0.724620851,-0.907820589,-0.506066777,-0.66588231,-0.799932219,-0.644494115,-0.776281509
2284,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Esi+3.8049936",206.0554,3.8049936,0.054527427,0.232165045,0.094213414,0.294941968,0.158250561,0.118124907,0.063678371,-0.137492768,-0.347405431,0.112929357,-0.314245934,0.105878224,-0.253476262,-0.062713936
2285,<none>,<none> Esi+13.414006,542.714,13.414006,0.340454386,0.190730813,0.658480941,0.283756009,0.513026324,0.40625148,0.375642795,0.161403491,0.120900461,0.209722895,0.15640159,0.156849128,0.1874989,0.14457882
2286,C50 H73 N O11,C50 H73 N O11,863.5184,13.925032,0.300134854,0.620816826,0.542236729,0.219971386,0.184790064,0.430704499,0.107134946,-0.067412824,-0.256679921,0.158379503,-0.052005966,-0.087470714,-0.160642177,-0.007304425
2287,C20 H38 O,"9R,10S-Epoxy-6Z-eicosene",311.3184,16.363026,1.546987268,1.642713226,1.464107306,1.797077446,1.456063804,1.74181289,1.508890244,-0.693010033,-0.834403092,-0.524330595,-0.673925673,-0.732051384,-0.704654781,-0.685502236
2288,C43 H86 N16 O8 P,C43 H86 N16 O8 P,984.6606,13.336975,0.842107825,0.744839972,0.987705723,0.814221575,0.779675834,0.958934129,0.790062014,0.563027412,0.539370898,0.591249218,0.598840546,0.48877587,0.682337097,0.486104063
2289,C22 H42 O6,Sorbitan palmitate Esi+12.653012,402.2976,12.653012,2.533648833,2.371970502,2.636180459,2.48056174,2.614406552,2.321986871,2.642174294,3.515220576,3.272651216,3.804601567,3.335528502,3.752516434,3.227694473,3.700599248
2290,C35 H62 O10,C35 H62 O10,642.4339,15.004952,1.065073819,1.132581141,0.795407787,1.129198093,0.830558492,0.967209129,0.9902731,-1.069224108,-1.336105109,-0.750839756,-1.034923037,-1.134290984,-1.006594613,-1.109603651
2291,C32 H52 O5,22-Acetylpriverogenin B Esi+16.256044,516.3785,16.256044,1.154699638,1.304217118,0.847734759,1.220647239,1.037213768,1.041471276,1.139549188,-0.651802875,-0.836928206,-0.430951602,-0.60698087,-0.731589235,-0.522906673,-0.734907005
2292,C13 H18 O6,"Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)",270.109,5.2340064,0.049925638,0.19590678,0.128699273,0.227703329,0.095128711,0.462387352,0.158065506,-0.020226029,-0.075863792,0.046148845,-0.014231922,-0.037392545,-0.082768264,0.020097253
2293,C35 H60 O12,C35 H60 O12,672.4111,13.184021,0.262157565,0.323610662,0.08082779,0.146959233,0.35432797,0.15632055,0.258280614,-0.096316415,-0.179812917,0.003293448,0.070172043,-0.356112895,-0.000502123,-0.158091418
2294,C34 H65 N O5 S,N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate,599.4595,13.947999,0.488957784,0.579125512,0.195200371,0.364825943,0.570777231,0.563669734,0.393420503,-0.295963098,-0.424825938,-0.14223199,-0.225270753,-0.403372541,-0.322151482,-0.279078482
2295,C27 H44 N O7 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",525.2922,12.000981,0.998219437,0.818736553,1.3105592,1.145710499,0.927812695,1.063226786,1.032869437,0.599567318,0.531296248,0.681013507,0.66721703,0.504671582,0.634632885,0.576959255
2296,C10 H22 N8 O4,C10 H22 N8 O4,317.1812,4.571,0.687833303,0.463359572,0.928749302,0.777697635,0.535418206,0.716592475,0.628863496,-0.428311453,-0.299773261,-0.58165526,-0.460413584,-0.353214396,-0.451442591,-0.413397956
2297,C48 H65 N2 O3,C48 H65 N2 O3,717.4995,13.696031,0.167509557,0.322310166,0.125752093,0.281650658,0.10839052,0.202775332,0.105084891,-0.078441482,-0.165778625,0.025750198,-0.094840793,-0.077458228,-0.094942165,-0.067802883
2298,C35 H54 O12,Coroloside,666.3597,12.76296,0.366725799,0.446456553,0.174440209,0.275812663,0.415153254,0.224273961,0.373814518,-0.257942627,-0.430698949,-0.051847365,-0.143330935,-0.429781761,-0.186069889,-0.304281629
2299,C39 H71 N O8 P,"PC(13:0/18:4(6Z,9Z,12Z,15Z)) Esi+12.053971",711.4867,12.053971,0.551160494,0.668848167,0.445854923,0.679587374,0.342774553,0.70539025,0.447827982,0.409248671,0.488674619,0.314494909,0.503698473,0.253235805,0.537271986,0.326707324
2300,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.1199956 :2,228.1361,7.1199956,0.169120966,0.007244884,0.301634153,0.089188209,0.152416062,0.202165119,0.141412388,0.11122599,0.046790344,0.188096586,0.1217456,0.079018115,0.167942579,0.074658717
2301,C32 H56 O9,C32 H56 O9,584.3922,13.497004,1.320570707,1.17999882,1.489254461,1.355235849,1.316760709,1.303331271,1.361451243,1.524672094,1.272551472,1.825447573,1.506753453,1.523327607,1.394657867,1.608497056
2302,C10 H5 N O17 P S2,C10 H5 N O17 P S2,505.8734,13.761976,0.301212824,0.371982826,0.036303314,0.370792951,0.108944761,0.163077942,0.270510802,-0.091168273,-0.12807232,-0.047142393,-0.081326867,-0.117946398,-0.021578538,-0.136035339
2303,C22 H48 N9 O2 S2,C22 H48 N9 O2 S2,534.3343,9.525987,0.494669172,0.835877102,0.120755597,0.52636155,0.401950134,0.366802807,0.56755579,0.315880971,0.590573479,-0.011822373,0.361293781,0.216322996,0.31807677,0.314465258
2304,C31 H54 O9,C31 H54 O9 Esi+13.163015,570.3768,13.163015,2.069902259,1.934891552,2.12002261,2.050175769,2.012427994,1.797756529,2.172588459,2.608561365,2.432013889,2.819179407,2.569370938,2.651397461,2.401779987,2.741880937
2305,C7 H4 N3 O3 S,C7 H4 N3 O3 S Esi+5.062009,209.9961,5.062009,0.01471367,0.082119353,0.149550352,0.15529929,0.11304176,0.120383183,0.049984403,0.033085466,0.254144787,-0.230634426,0.086386949,-0.057013371,0.074786548,0.006199242
2306,C41 H64 N4 O8,Antanapeptin C Esi+13.227032,757.5037,13.227032,0.172152608,0.03581692,0.576192148,0.174418315,0.277198078,0.216090605,0.191769051,0.060548013,-0.074303699,0.221423739,0.023925594,0.091939664,0.089666358,0.041774342
2307,C43 H81 N7 O15 P,C43 H81 N7 O15 P,966.5524,14.124019,0.638724586,0.615860587,0.688062638,0.736022065,0.543482078,0.766593776,0.609521033,0.520956682,0.509168032,0.535020335,0.557664903,0.435015049,0.571711932,0.488232903
2308,C26 H44 O3,"2-Nor-1,3-seco-1?,25-dihydroxyvitamin D3",426.3066,11.175027,0.438602738,0.475189649,0.32459673,0.609005942,0.2098769,0.353948882,0.400981146,-0.142318676,-0.155663409,-0.126398644,-0.146774523,-0.159334536,-0.073511173,-0.186681408
2309,C32 H48 O5,Ganoderic acid X,529.382,8.416014,0.841742529,0.808610723,0.893570516,0.951565213,0.674169809,0.856792776,0.717493438,-0.524432293,-0.446131876,-0.617843316,-0.562228903,-0.482322602,-0.472678458,-0.557799897
2310,C36 H50 O6,Prednisolone 21-all-cis-farnesylate,578.3641,8.448982,0.322387768,0.582690826,0.05121918,0.325420194,0.238203532,0.603890576,0.1427926,0.129821755,0.273164814,-0.041183999,0.163127203,0.061220442,0.295435566,0.02304443
2311,C36 H72 Cl2 N8 P,C36 H72 Cl2 N8 P,717.5035,13.697999,0.348709306,0.585712978,0.085246898,0.568905916,0.060198436,0.410311205,0.236836709,-0.118997597,-0.201727789,-0.020301928,-0.157149818,-0.084355702,-0.125008208,-0.115122334
2312,C16 H24 N6 O7,Gln Glu His,412.1713,8.074981,1.261128986,1.197527988,1.38258132,1.132158096,1.575314131,1.01527189,1.450652857,1.19812062,1.058321356,1.364898689,1.017902281,1.4997889,0.931746482,1.369861841
2313,C31 H34 O19,8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1-2)-3''-acetylglucoside],709.1598,16.693993,2.330311516,2.597874204,2.37264332,2.477438479,2.552640546,2.626795235,2.381473261,2.272281852,2.332045535,2.200984826,2.294973093,2.253797667,2.165903103,2.34086815
2314,C21 H43 N8 O3,C21 H43 N8 O3,455.3452,10.419998,0.48489042,0.485414154,0.307529104,0.340810665,0.515099824,0.426158647,0.422762755,-0.566088572,-0.620727259,-0.500905578,-0.555231693,-0.585597161,-0.660615695,-0.505143454
2315,C30 H44 N6 O2,U-83836E,520.3462,12.927983,0.088190765,0.120183391,0.377045424,0.186007269,0.185110236,0.044896218,0.129293643,0.147809204,-0.052505814,0.386781506,0.217611143,0.117119173,0.099462095,0.178980366
2316,C22 H26 O6,Gingerenone B Esi+9.506004,386.1751,9.506004,1.322511415,1.215758293,1.592107504,1.219696557,1.649624345,1.333866619,1.480643742,0.971487006,0.786127448,1.192617707,0.796456602,1.224494826,0.780263311,1.094775968
2317,C24 H50 N6 S2,C24 H50 N6 S2,486.3507,14.483956,0.03909463,0.205102243,0.213165357,0.073530419,0.02764485,0.062015107,0.016948973,0.144854555,0.002062266,0.31520325,0.14698012,0.13063732,0.137717913,0.14945581
2318,C36 H67 O10 P,"PG(18:2(9Z,12Z)/12:0)",689.4393,14.437011,1.10463154,1.323310084,0.72074479,0.952007032,1.230695395,1.02777811,1.100989164,-0.8266957,-0.964425442,-0.662386535,-0.661124461,-1.061111797,-0.776808361,-0.858859906
2319,C26 H21 N3 O9 S2,Watasenia luciferin,582.0682,12.908994,0.177931712,0.091779358,0.415852546,0.115649958,0.360378476,0.173032385,0.292121577,0.136810351,0.106100136,0.173447098,0.142404367,0.114597036,0.145770199,0.131033607
2320,C13 H14 N4 O,Diphenylcarbazide Esi+5.863004,242.1147,5.863004,0.331889807,0.488207557,0.126893142,0.251168163,0.435574792,0.346637239,0.337289169,-0.226884286,-0.326697396,-0.107808996,-0.072209613,-0.390633406,-0.18102136,-0.256453804
2321,C12 H16 N O,C12 H16 N O,190.1225,5.312009,0.553480307,0.599376705,0.364918597,0.640669872,0.584966934,0.365162065,0.624336682,-0.340533575,-0.431297862,-0.232253373,-0.269596522,-0.449213313,-0.198144527,-0.43233704
2322,C10 H18 O21 S4,Pentosan Polysulfate Esi+12.394027,601.923,12.394027,0.306931198,0.432467953,0.0095353,0.443887986,0.05623874,0.251843222,0.208028728,-0.07154711,-0.130381922,-0.001358211,-0.066101567,-0.095044868,-0.03009145,-0.098275101
2323,C25 H38 O4,"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0) Esi+14.48396",402.2736,14.48396,1.319698092,1.521613165,0.783361821,1.260458076,1.152882024,1.381425948,1.143227174,-1.290930364,-1.55910974,-0.970997074,-1.338126809,-1.20403229,-1.433048913,-1.199301299
2324,C27 H55 N8 O6,C27 H55 N8 O6 Esi+10.149001,587.423,10.149001,0.339331349,0.349583474,0.231535527,0.286605054,0.29367416,0.328975662,0.329797788,0.190844886,0.230400716,0.143655474,0.218307579,0.134952721,0.236878157,0.16116554
2325,C40 H76 N O9 P,PS(P-16:0/18:1(9Z)),745.5287,13.318036,0.110136195,0.47391928,0.57300057,0.064172998,0.065206577,0.309615603,0.100529104,0.052331351,-0.304751654,0.478325111,0.052056225,0.060916159,-0.145443541,0.179844109
2326,C29 H55 N11 P,C29 H55 N11 P,588.4365,15.226024,1.208190012,1.099588801,1.154655529,1.099972723,1.161392812,1.064157817,1.127184751,-0.915926106,-0.90151419,-0.933119269,-0.806003924,-1.091518002,-0.892568721,-0.930985472
2327,C29 H46 O6,"9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol Esi+10.461992",507.3502,10.461992,0.457248115,0.469754587,0.342739368,0.564761593,0.27710286,0.355338265,0.414286656,-0.205256958,-0.208101476,-0.201863499,-0.21485793,-0.21922507,-0.147244872,-0.242659488
2328,C32 H65 N O10,C32 H65 N O10,623.4568,12.995038,0.724791394,0.888815201,0.421871708,1.06056988,0.167753211,0.954244641,0.483505071,-0.446655094,-0.6366213,-0.220028742,-0.610657251,-0.23827993,-0.633871305,-0.325949905
2329,C31 H53 N15 O2 P,C31 H53 N15 O2 P,698.4234,13.611024,0.735972457,0.776300729,0.479582523,0.734965659,0.558521992,0.734512274,0.645903102,-0.505680941,-0.628588013,-0.35905496,-0.504820574,-0.519101985,-0.522111803,-0.495087359
2330,C26 H55 N O6 P S,2-thio-PAF,557.3762,10.487036,0.51196794,0.428796032,0.397233455,0.519013854,0.315547889,0.195818284,0.525541908,-0.258716118,-0.256815937,-0.260983,-0.261987187,-0.284111641,-0.092090059,-0.366146077
2331,C27 H44 N9 O3,C27 H44 N9 O3,540.3784,14.054987,0.121033965,0.275013083,0.107994386,0.04072175,0.174737917,0.096838451,0.068062446,-0.04011644,-0.186030707,0.13395672,-0.0176917,-0.069507803,-0.085637683,-0.010767218
2332,C19 H47 N15 O3 P,C19 H47 N15 O3 P,563.3866,12.531005,0.529299533,0.429449783,0.56708248,0.603339734,0.413974753,0.629464045,0.402055403,-0.438228135,-0.498367729,-0.366482655,-0.483480864,-0.354839222,-0.691639824,-0.274844283
2333,C30 H27 N O7,Acrimarine H,535.1575,16.523975,1.746655461,1.846676214,1.576152217,1.748478988,1.787037464,1.707384364,1.749189377,-1.77712751,-1.791518413,-1.759959416,-1.688438514,-1.92302994,-1.600902216,-1.89074645
2334,C12 H15 N O7,Buchananine,296.0756,15.495041,1.857134116,2.023197319,1.912764087,1.957684725,1.987044934,1.988741829,1.909332753,1.043983948,0.936128099,1.172654084,1.069022528,1.028540508,0.905546619,1.133239595
2335,C31 H56 O10,C31 H56 O10 Esi+13.1899605,588.3886,13.1899605,1.759458625,1.520866163,1.782605766,1.558221227,1.787966787,1.496745953,1.795650564,3.26058093,3.043229635,3.519877212,3.135788749,3.420624466,3.033680852,3.40687177
2336,C38 H64 N3 O10,C38 H64 N3 O10,722.4598,15.370048,0.998514646,0.857244335,1.070076026,0.874313292,1.024024205,1.09205956,0.875241909,0.857054695,0.830783057,0.888396298,0.841884338,0.879970434,1.039592882,0.739365601
2337,C47 H77 O13 P,"PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",880.5161,14.118968,1.021108868,0.884698075,1.082071735,1.028481687,0.956581876,0.991476121,0.983100655,0.937582711,0.869081675,1.019303246,0.959101457,0.880074492,0.93797769,0.937328053
2338,C11 H18 N2 O2,"L,L-Cyclo(leucylprolyl)",210.1349,5.2340064,0.333627922,0.476735875,0.041486168,0.211120195,0.255246515,0.184061819,0.300948934,-0.365266554,-0.414111543,-0.30699534,-0.234833235,-0.519957696,-0.205981873,-0.467963257
2339,C36 H60 N4 O6 S,Prostaglandin D2-biotin,349.2025,6.880988,0.818835277,0.921736416,0.543193023,0.801612497,0.644052346,0.885341947,0.681946223,0.404865729,0.545704379,0.23684769,0.456478052,0.310886139,0.561771266,0.303702948
2340,<none>,<none> Esi+6.6390095,510.8213,6.6390095,0.962340168,0.749717594,1.153005737,0.683520741,1.247229231,0.719026399,1.033825705,0.782037483,0.49197252,1.128079895,0.549517228,1.098868496,0.501532383,0.962889455
2341,C37 H76 N2 O6 P,SM(d16:1/16:0),697.5323,16.426022,1.803793929,1.963365912,1.738173899,1.942680582,1.968486935,1.997312421,1.875729799,-1.518124145,-1.647166075,-1.364179387,-1.434624025,-1.606954684,-1.369872888,-1.613707193
2342,C7 H13 N O,1-(1-Pyrrolidinyl)-2-propanone Esi+5.012001,127.0997,5.012001,1.379079649,1.599106879,1.081266716,1.635770341,1.264818849,1.664271575,1.257624146,-0.809861898,-1.065235948,-0.505205137,-0.86175165,-0.730531987,-0.886991023,-0.76013391
2343,C38 H62 O9,Goyaglycoside c Esi+13.11798,662.441,13.11798,0.616088714,0.773671612,0.578521985,0.543061165,0.726681291,0.604949919,0.709482638,0.306049106,0.392987005,0.202333719,0.311642994,0.284185895,0.305949332,0.306113434
2344,C31 H43 N O3 P S,C31 H43 N O3 P S,538.2547,11.862039,1.103035268,0.889589818,1.316175441,1.076459452,1.147535157,1.109218939,1.086930472,1.10141298,0.914957995,1.323850506,1.103058769,1.084098199,1.089039604,1.109390551
2345,C15 H16 O4,Kanzonol Q,282.0878,6.07601,0.78049622,0.554145647,1.0245192,0.696528245,0.728771051,0.663481328,0.73659248,0.839144787,0.615186423,1.106323186,0.868279686,0.773796536,0.784166109,0.874591567
2346,C35 H58 N3 O10,C35 H58 N3 O10,678.4115,14.339042,0.177353738,0.396150445,0.144700102,0.167653867,0.257177374,0.11094859,0.202169708,-0.08193869,-0.244682737,0.112212104,0.016539075,-0.20733524,-0.019043294,-0.122489668
2347,C16 H33 N O3,Lauroyl diethanolamide Esi+9.902005,287.246,9.902005,0.71232059,0.988486727,0.055997531,0.750338053,0.521398303,0.747138157,0.564498361,-0.21163604,-0.380891845,-0.009716834,-0.223744588,-0.202810001,-0.261172304,-0.179698185
2348,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.480974,466.3665,14.480974,0.040773943,0.000222081,0.013559796,0.043495612,0.029244874,0.051896827,0.017555097,0.250338049,0.278723452,0.21647476,0.330373368,0.221576937,0.416097045,0.143467117
2349,C40 H60 O6,Mactraxanthin,636.4343,16.345963,0.651205209,0.61655179,0.624500859,0.387426678,0.941083266,0.581461141,0.608085882,-0.605803923,-0.563311203,-0.656496992,-0.366876328,-0.927994169,-0.573409899,-0.626689544
2350,C29 H40 O6,Stigmatellin Y,501.3144,6.8959966,1.041518007,0.837814224,1.295724378,1.017048744,1.168811511,0.762232168,1.175467658,-0.763708656,-0.519413989,-1.055147908,-0.64847174,-0.947780127,-0.444371464,-0.969597108
2351,<none>,<none> Esi+12.155024,572.7242,12.155024,0.598790467,0.41536271,0.825499155,0.547993562,0.653847962,0.589818491,0.619915642,0.303369937,0.251363122,0.365413156,0.290169158,0.30143432,0.318020598,0.293924117
2352,C42 H74 N O8 P,"PE(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) Esi+13.791993",773.4941,13.791993,0.308707681,0.554104247,0.184093036,0.340932373,0.147454525,0.341858152,0.222610453,-0.089741705,-0.338189478,0.20665213,-0.113318125,-0.067440578,-0.174833322,-0.034880004
2353,C27 H55 N5 O3 P,C27 H55 N5 O3 P,528.402,11.962973,0.375560489,0.262070164,0.562920395,0.422291097,0.250064506,0.440138636,0.375458622,0.180344097,0.15434379,0.211362008,0.219028112,0.104138818,0.231785342,0.147178032
2354,C25 H47 N O4,Vaccenyl carnitine Esi+13.041014,447.3298,13.041014,0.694750802,0.636055104,0.668026009,0.763249037,0.637082626,0.583842335,0.652965306,-0.284857477,-0.21711281,-0.365675678,-0.254670159,-0.339111726,-0.165183547,-0.36201567
2355,C23 H53 N13 O4 P,C23 H53 N13 O4 P Esi+12.31201,604.3998,12.31201,0.123702317,0.229887298,0.141167098,0.275358633,0.114200091,0.102483831,0.024482091,0.005633441,-0.038115215,0.057824819,-3.73E-05,-0.002311522,0.036879672,-0.014512155
2356,C26 H51 N7 O3 P,C26 H51 N7 O3 P,540.3686,15.187989,0.089918047,0.055704721,0.365873949,0.164916527,0.048630158,0.241123953,0.103971809,0.153632122,0.051952296,0.274934371,0.226011081,0.050986889,0.24896172,0.092169618
2357,C50 H95 O13 P,PI(22:1(11Z)/19:0) Esi+12.267024 :1,956.625,12.267024,0.90844619,0.828615668,1.050920056,0.904549293,0.836576217,0.996509597,0.884116907,0.604314317,0.610811447,0.596563355,0.657743048,0.496107481,0.728360461,0.524337197
2358,C26 H50 O4,Hexacosanedioic acid Esi+13.387959,443.3968,13.387959,0.950956374,0.981175768,0.820410081,0.824731993,1.044076185,0.776185938,1.01205801,-0.969877495,-1.131663262,-0.776869912,-0.966329588,-1.011937925,-1.006935769,-0.94598466
2359,C31 H66 Cl2 N9,C31 H66 Cl2 N9,632.4602,15.089045,0.993868,1.05412444,0.808323418,0.884634324,0.973100932,0.99959867,0.919285042,-0.549690589,-0.707293216,-0.361673421,-0.525181775,-0.58420173,-0.624178821,-0.501665282
2360,C35 H66 N O10 P,PS(12:0/17:1(9Z)),690.4326,16.070019,0.703478815,0.673820209,0.643459517,0.684680002,0.633282872,0.836688004,0.594785659,0.642737874,0.683681068,0.593893361,0.710040683,0.555291624,0.851343119,0.508242387
2361,C9 H21 N O3 P,C9 H21 N O3 P,222.1257,6.587007,0.474560742,0.518351849,0.273733357,0.491278601,0.377594032,0.428532693,0.426365522,-0.180073188,-0.261200119,-0.083290184,-0.207682834,-0.164821829,-0.157031341,-0.194929117
2362,C33 H42 N4,Auricularine,493.3348,8.738014,1.021071344,1.011192797,1.06288246,1.185715446,0.766338491,1.043745114,0.976639876,-0.599531915,-0.540222758,-0.670286698,-0.670904762,-0.514720222,-0.527976267,-0.645666477
2363,C32 H54 O5,Ganoderiol C Esi+15.096986,518.3954,15.096986,1.299072029,1.409492771,1.031999646,1.245997912,1.362824971,1.30896851,1.241607,-1.194111536,-1.435731461,-0.905863204,-1.127920138,-1.313240826,-1.271222749,-1.144395095
2364,C28 H54 O6,C28 H54 O6,486.3909,14.613023,1.084471358,1.14634746,0.858127608,1.058594814,0.995679488,0.88953974,1.096345372,-0.782771658,-0.913113372,-0.627276279,-0.698074055,-0.927177559,-0.512734024,-0.956874869
2365,C18 H24 N4 O2,Granisetron metabolite 3,328.1881,10.344976,0.17243503,0.052779753,0.331745531,0.253319162,0.082411809,0.302625496,0.082302907,0.120147158,0.01865018,0.241231273,0.194917898,0.041500633,0.186047819,0.077658574
2366,C41 H80 N O7 P,PE(P-20:0/16:1(9Z)),729.5583,15.404037,0.587041272,0.694034405,0.28816303,0.650050593,0.474635702,0.578550283,0.539898861,-0.222800135,-0.32817758,-0.097086692,-0.231109866,-0.239183499,-0.231051883,-0.21747993
2367,C16 H12 N3 O23 P,C16 H12 N3 O23 P Esi+13.595964,644.9593,13.595964,0.481342462,0.610847829,0.141066739,0.639473491,0.213645858,0.467344836,0.34328116,-0.164678622,-0.22539455,-0.092245584,-0.160911287,-0.182829858,-0.128799401,-0.187811277
2368,C12 H26 O6,C12 H26 O6 Esi+4.8979974,266.1727,4.8979974,0.152809097,0.020150211,0.46652377,0.185867255,0.267402483,0.106192641,0.251971015,-0.090734028,0.002066857,-0.201443855,-0.056534805,-0.149721811,-0.026848526,-0.131923365
2369,C28 H57 O9 P,PG(22:0/0:0),568.3741,11.399985,1.59465887,1.631808637,1.490470724,1.546222519,1.500528549,1.567117789,1.613413017,1.367709614,1.374848908,1.359192561,1.373393631,1.330213719,1.398069225,1.348135653
2370,C31 H68 N6 O P S2,C31 H68 N6 O P S2,632.4613,15.297053,0.876853571,0.844064603,0.730190961,0.745205926,0.853385638,0.805648079,0.76815203,-0.49509336,-0.54360427,-0.437220696,-0.365378947,-0.682829346,-0.455726536,-0.520474601
2371,C17 H32 N7 O2,C17 H32 N7 O2,366.2612,7.5770187,0.299242893,0.04585576,0.524869603,0.04766653,0.63447174,0.123514619,0.506385113,-0.05900693,0.001543061,-0.131242008,-0.025193294,-0.114605402,0.02696319,-0.114435035
2372,C34 H54 N3 O11,C34 H54 N3 O11,680.3749,13.031005,0.413693997,0.369418213,0.33768074,0.214576071,0.580441444,0.044313562,0.510485946,-0.284226634,-0.377742997,-0.172663254,-0.162141126,-0.474577388,-0.094402808,-0.406613049
2373,C34 H50 O12,Thapsigargin,650.328,13.260009,0.487291154,0.743184779,0.078731789,0.462479762,0.303238584,0.378356924,0.395559486,-0.32561993,-0.521216832,-0.092276258,-0.366809484,-0.279500891,-0.358646235,-0.304326655
2374,C24 H38 O6,"3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid",422.2647,13.954034,0.31628873,0.082275299,0.65140282,0.366054955,0.281373647,0.45473244,0.263440798,0.244629823,0.159347104,0.346370611,0.270594489,0.20033236,0.309516683,0.202794874
2375,C40 H69 O8 P,"PA(15:1(9Z)/22:4(7Z,10Z,13Z,16Z))",707.4658,7.255988,0.164923845,0.004892795,0.441923054,0.232624239,0.172012,0.097413011,0.344962261,-0.09982943,0.018117769,-0.24053837,-0.080947757,-0.145221387,0.064271445,-0.205631311
2376,C11 H14 N4 O5,1-Methylinosine,304.0778,2.8820024,0.859520863,0.812496705,0.817354424,0.777888545,0.972949966,0.831531664,0.828374297,0.3058161,0.382417464,0.214432016,0.284665155,0.360058352,0.345235914,0.280400693
2377,C32 H48 O5,Ganoderic acid X Esi+14.613024,512.3454,14.613024,0.155058135,0.051740036,0.494197922,0.201429733,0.134656436,0.26979703,0.161864226,0.243224503,0.107212649,0.405484258,0.298331385,0.160565065,0.304805157,0.203521186
2378,C16 H16 N O23 P S,C16 H16 N O23 P S Esi+12.718995,652.9572,12.718995,0.113553437,0.239072403,0.100307477,0.193954147,0.00193772,0.160561798,0.054555803,-0.060876285,-0.114007124,0.002507874,-0.067371921,-0.06870991,-0.057460238,-0.063078737
2379,C22 H30 O3 S,Deacetylspironolactone,374.1919,6.4539876,0.276309142,0.008665555,0.617263892,0.151641054,0.458700058,0.141629083,0.50711138,-0.279115758,-0.037315635,-0.567579063,-0.198553444,-0.399121006,0.049454333,-0.490957001
2380,C21 H40 O5,C21 H40 O5,372.2869,13.330019,1.904120845,2.009285041,1.972570523,1.97693101,2.135473319,2.203625799,1.931995415,-1.396399351,-1.472950437,-1.305075249,-1.404372872,-1.382620107,-1.539270121,-1.304285302
2381,C39 H66 O5,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0)",613.4749,14.420965,1.11809749,1.242562664,0.753839594,1.0974524,0.98838393,1.226317051,0.963651343,-0.531989429,-0.702298424,-0.328813787,-0.516061562,-0.556520703,-0.605675928,-0.484481029
2382,C28 H42 O6 S,geodisterol-O-sulfite,506.2695,6.9010005,0.252266546,0.128683429,0.715358387,0.081045518,0.423669782,0.093552319,0.496486185,-0.185394416,0.027733987,-0.439652862,-0.108986367,-0.31132828,0.001288643,-0.305755862
2383,C37 H67 N O10,C37 H67 N O10,685.4786,16.126968,0.802403906,0.846412622,0.604833131,0.70957474,0.693836296,0.5537269,0.879773858,-0.414141588,-0.521061342,-0.286588199,-0.342651373,-0.488120516,-0.304979618,-0.484522332
2384,C38 H60 N3 O12,C38 H60 N3 O12,750.4165,13.44098,1.574758995,1.514644603,1.721405564,1.681413055,1.577356937,1.732749622,1.544683898,1.306315248,1.171554409,1.467082565,1.314176792,1.284163624,1.239307179,1.349517818
2385,C23 H41 N O5,N-oleoyl glutamic acid Esi+11.906986,411.3016,11.906986,1.163842498,1.161132616,1.227664327,1.256084818,1.172628018,1.158964413,1.225989948,-0.79045164,-0.764660576,-0.821219926,-0.714946212,-0.902320567,-0.723377618,-0.833696732
2386,C14 H21 N3 O6,Asp Pro Pro,326.1341,8.504017,0.741927402,0.882754658,0.596074936,0.842897306,0.568855361,1.154845552,0.444416104,-0.408722969,-0.443618433,-0.367093293,-0.532861435,-0.21760033,-0.605684507,-0.281734609
2387,C14 H26 N6 O7,Ser Arg Glu,390.1871,5.5200105,0.592738884,0.241953937,1.018247967,0.486786297,0.756078123,0.36896569,0.728281265,-0.370452581,-0.142962825,-0.641843868,-0.268671363,-0.531532151,-0.18195039,-0.491986887
2388,C23 H47 N8 O4,C23 H47 N8 O4,499.3713,10.196024,0.267348285,0.208334068,0.228027165,0.269639832,0.138358223,0.033673221,0.268814783,-0.136766249,-0.091529471,-0.19073293,-0.10202216,-0.213109914,-0.001374959,-0.224058001
2389,C35 H62 O7,cis-Annonacin-10-one,616.4303,11.788016,0.268482238,0.084129308,0.501138197,0.141164658,0.386199903,0.235089306,0.310264319,0.209876435,0.154459059,0.275988392,0.205762242,0.194430672,0.244762388,0.187384176
2390,C31 H62 Cl N O4 S,C31 H62 Cl N O4 S,577.3951,12.465021,0.218921041,0.053926865,0.334453907,0.334676381,0.116023902,0.083815361,0.217235543,-0.014358887,0.052611262,-0.094253099,-0.030575355,-0.009563617,0.061928468,-0.063544155
2391,C19 H24 N6 O6,His Asn Tyr,432.1762,9.526985,0.72545744,0.657713211,0.666367963,0.618819876,0.744556629,0.437740953,0.77520833,-0.600199117,-0.6419433,-0.55039904,-0.490786941,-0.756826054,-0.382293811,-0.740690696
2392,C23 H33 N O5,16-phenoxy tetranor PGF2? methyl amide,403.2338,6.178988,1.394160851,1.360004173,1.46216428,1.32430727,1.570180936,1.394157085,1.373849784,1.119443509,0.872125663,1.41448936,0.888003645,1.437564024,0.874610845,1.277296147
2393,C34 H56 N6 O12,C34 H56 N6 O12,740.396,12.618978,2.002328359,1.882537311,2.19122138,2.11480633,2.023499893,2.039578061,2.052983565,2.148169354,1.949026755,2.385742981,2.150349921,2.150430548,2.049942094,2.211500087
2394,C21 H46 N,Stearyltrimethylammonium,311.3545,13.237042,0.02072744,0.170957995,0.123744047,0.046737909,0.150871289,0.171962116,0.040535553,0.033077839,-0.029753475,0.108034495,0.07354408,-0.012500059,-0.035805411,0.077489409
2395,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+16.065968",574.4593,16.065968,1.288399823,1.352762701,1.091625125,1.284652044,1.171351385,1.195704892,1.233462338,-1.195439041,-1.394748481,-0.957666376,-1.187592021,-1.21878395,-1.186513887,-1.201193416
2396,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+10.480977,482.249,10.480977,1.45863864,1.469048773,1.548744432,1.465596117,1.50376716,1.581756315,1.435981443,1.905589729,1.880363331,1.935684378,2.016405275,1.729651464,1.989741132,1.851334219
2397,C32 H56 O5,C32 H56 O5 Esi+14.959975,520.4125,14.959975,1.601320433,1.749636699,1.33615097,1.678989711,1.502138943,1.535326939,1.639289657,-1.589166735,-2.014719572,-1.081489666,-1.773640855,-1.359404697,-1.771112206,-1.471859786
2398,C21 H40 O5,C21 H40 O5 Esi+13.430978,372.2872,13.430978,2.185685687,2.237767359,2.23694506,2.221558453,2.393706726,2.368795612,2.22401449,-2.022590414,-2.061512736,-1.976156765,-2.022290171,-2.015486157,-2.124669577,-1.956776216
2399,C21 H49 N4 O8,C21 H49 N4 O8,485.3554,9.577985,0.314046951,0.319898458,0.321814126,0.238306669,0.404506968,0.327046831,0.289613005,0.372631136,0.3286978,0.425042835,0.264864816,0.509900923,0.324817201,0.403458541
2400,C47 H77 O13 P,"PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.596981",880.518,14.596981,0.93825462,0.819524156,1.016909881,0.912358998,0.92606049,0.951407471,0.91663511,0.739132536,0.688886373,0.799075327,0.815986059,0.656082999,0.818242621,0.688127349
2401,C17 H28 N8 O4,Arg Pro His,425.2459,6.280019,0.803875658,0.524511499,1.073442596,0.534882909,1.077863919,0.430403736,0.966998996,0.711812103,0.400044367,1.083745543,0.48909379,1.017467094,0.370746667,0.931709555
2402,C18 H28 N10 O4,His Arg His,448.2281,6.235993,0.59634716,0.206388912,1.079399074,0.395583336,0.843186215,0.173544154,0.855721735,-0.383303824,-0.120115804,-0.697282515,-0.225085501,-0.620887975,-0.104495785,-0.563061639
2403,C43 H63 N7 O8 S,Trunkamide A,854.4793,14.154036,1.374058489,1.229313061,1.614428922,1.423339959,1.359482723,1.402467786,1.361334721,1.084407059,0.99147193,1.195277038,1.087891528,1.068517805,1.047912126,1.107936687
2404,C36 H69 O13 P,PI(15:0/12:0),740.4527,8.119013,0.053362394,0.103801541,0.286213179,0.066651052,0.089183878,0.075659336,0.142170989,-0.04536205,0.050756664,-0.16002999,-0.040989005,-0.061606208,0.038131683,-0.099193536
2405,C27 H46 O5,"3alpha,7alpha,16alpha-Trihydroxy-5beta-cholestan-26-oic acid",472.3223,12.936019,2.110453022,2.041231373,2.148638876,2.159710753,2.067396159,2.060971221,2.117604859,1.635435621,1.703914121,1.553741972,1.635065185,1.619105484,1.638497678,1.6334614
2406,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.197011,284.1236,5.197011,1.506464828,1.508024069,1.542165279,1.477780893,1.581075666,1.550999754,1.559541522,1.561530874,1.619527714,1.492341661,1.488551321,1.609353728,1.661799488,1.496884005
2407,C32 H62 N O10 P,PS(12:0/14:0),650.4041,12.26296,0.922239078,0.826484762,1.050481332,0.808629615,1.04556915,0.886308155,1.004638731,0.511788735,0.496278252,0.530292469,0.500238591,0.5141012,0.501877993,0.518178555
2408,C33 H63 N15 O3,C33 H63 N15 O3,716.4432,12.141032,0.400212237,0.326947051,0.556097716,0.406471253,0.355491798,0.530836981,0.381253404,0.249974984,0.228675734,0.275384615,0.276593007,0.190088333,0.347708564,0.186962544
2409,C19 H40 O7,C19 H40 O7 Esi+9.566002,380.2765,9.566002,0.336085588,0.283338649,0.325465467,0.195021597,0.462367857,0.220063004,0.421406826,0.430099346,0.461611628,0.392505747,0.315473177,0.534315197,0.393287342,0.453833402
2410,C10 H16 O5,C10 H16 O5,216.0994,4.645008,1.134455149,0.989972068,1.392280311,1.116850324,1.097735823,1.025199792,1.213144707,1.210267994,0.977734425,1.487676462,1.24833381,1.118515682,1.092512151,1.286189524
2411,C24 H40 N6 O8,C24 H40 N6 O8,540.2908,10.176016,2.307477168,2.24420194,2.414381074,2.224585577,2.507190984,2.09774054,2.484897758,4.309066725,4.108213009,4.548681684,4.06530623,4.593445374,4.036217603,4.484982606
2412,C21 H42 N6 O7,C21 H42 N6 O7,490.3139,9.582011,0.244443415,0.217864991,0.250927283,0.38865042,0.053486193,0.266543615,0.131606829,-0.15476388,-0.108911155,-0.209465377,-0.188408027,-0.070014781,-0.151651128,-0.156770786
2413,C24 H44 O7,2-Stearyl citrate,443.3014,12.498028,1.611795275,1.651486448,1.495086832,1.573937677,1.631715323,1.527813201,1.636161992,1.632587948,1.809939139,1.421011089,1.683437167,1.549006537,1.699025964,1.589752912
2414,C30 H50 O5,Cycloastragenol Esi+15.220963 :1,490.3627,15.220963,0.921380709,1.083444378,0.544378842,0.908721378,0.877898367,0.928826811,0.824668791,-0.562702278,-0.713174591,-0.383191447,-0.43676979,-0.755495594,-0.477517836,-0.617623825
2415,C16 H33 N O2,"Hexadecanoic acid, 2-amino-, (1)-",271.2499,9.995005,1.383532282,1.489264838,1.060495535,1.319018797,1.32437711,1.331693013,1.299838912,-0.781521795,-0.849061928,-0.700947601,-0.736412891,-0.833726258,-0.781037006,-0.781834357
2416,C19 H40 N2 O,C19 H40 N2 O,312.3134,10.702976,0.222174083,0.346484603,0.02485077,0.258446213,0.053111974,0.33762774,0.074684895,-0.059047266,-0.113298261,0.005673219,-0.082024175,-0.022619817,-0.127525279,-0.014896968
2417,C41 H68 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) Esi+12.839033",733.468,12.839033,1.388425003,1.341076068,1.445713381,1.425573472,1.281582841,1.48641447,1.344685035,0.936452016,0.941208516,0.930777595,0.987024266,0.845185186,1.033359584,0.873972137
2418,C29 H42 O11,Canescein,566.2673,6.416008,1.095589628,1.141531095,0.925038562,1.096348459,0.945540018,1.170932832,1.025022025,0.941617589,1.03367331,0.831796729,0.996044229,0.835007113,1.116533735,0.828842706
2419,C24 H46 N8 O7,C24 H46 N8 O7,558.3544,13.441966,0.624980146,0.695268995,0.376126715,0.48987182,0.657090804,0.464171434,0.664569213,-0.396582421,-0.532913025,-0.233942402,-0.252027218,-0.57677158,-0.33081985,-0.438981973
2420,C10 H21 N3 O4,Threoninyl-Lysine,247.1501,7.116978,0.453451327,0.31792794,0.505068502,0.375579062,0.418078852,0.418455339,0.407096489,0.294389336,0.254304741,0.342209556,0.300252693,0.271954141,0.317739965,0.279334326
2421,C31 H45 N3 O4 S,Pateamine Esi+11.60302,554.3071,11.60302,2.308914998,2.214802652,2.538547233,2.346176196,2.455388683,2.299040886,2.417746211,4.04054017,3.640154902,4.518192771,3.830127181,4.306315687,3.935343288,4.108364476
2422,C8 H14,"1,3-Octadiene",110.1093,4.9670005,0.84619237,0.801727769,1.080774039,0.651466997,1.350837293,0.638973846,1.015456069,0.600109283,0.442131615,0.78857387,0.485232496,0.786403881,0.448259309,0.698012556
2423,C46 H89 O13 P,PI(15:0/22:0),879.5938,12.496017,0.419712289,0.408670511,0.24779096,0.377944627,0.291374049,0.280499107,0.428560689,-0.150613359,-0.181792076,-0.113417696,-0.101252805,-0.248429836,-0.089411921,-0.19007218
2424,C23 H34 O7,Picrasin C,422.2273,10.531988,1.469674563,1.274596584,1.588478129,1.307672296,1.527443565,1.253159419,1.548456819,2.230822332,2.075171754,2.416510741,2.111989268,2.365003834,2.059828917,2.341068086
2425,C12 H3 O19 P S,C12 H3 O19 P S Esi+12.733964,513.8712,12.733964,0.268786371,0.486152161,0.141981158,0.412454675,0.029943505,0.282461331,0.181599632,-0.114878285,-0.20758079,-0.004285824,-0.148225549,-0.085790505,-0.112846696,-0.116188126
2426,C42 H70 O15,Goyaglycoside h,831.498,11.129972,0.296534714,0.045010401,0.980329674,0.239318856,0.494910796,0.178610513,0.46969909,0.186744944,0.027252423,0.377016723,0.180251091,0.197252576,0.123522099,0.227507041
2427,C25 H21 O17,Cyanidin 3-(6''-dioxalylglucoside),592.0716,12.471986,0.166700559,0.118481105,0.370137627,0.165428016,0.318023196,0.205779138,0.222528973,0.117125283,0.080772689,0.16049329,0.123083142,0.091461398,0.128749648,0.109630627
2428,C35 H46 O4,(-)-Neolinderatin Esi+13.446026,530.3468,13.446026,1.29748318,1.151334617,1.477041047,1.388257552,1.293720526,1.224795864,1.354773652,0.707025018,0.627719621,0.801634966,0.703718428,0.712531351,0.676227132,0.726881551
2429,C16 H24 O3,"12-Oxo-2,3-dinor-10,15-phytodienoic acid",264.1749,7.348016,0.385550247,0.603404628,0.006010479,0.371761647,0.275451527,0.646762748,0.165362135,0.12448799,0.263329429,-0.041147412,0.16302802,0.048962251,0.292121611,0.016408418
2430,C32 H54 N3 O5,C32 H54 N3 O5 Esi+14.596978,560.4048,14.596978,1.332398983,1.422227088,1.035537047,1.320366494,1.248273923,1.306797746,1.268459201,-0.988629232,-1.206041056,-0.729260739,-0.898370156,-1.132711438,-0.970152689,-1.000541739
2431,C56 H82 O6 S,Sulfated Dihydromenaquinone-9 Esi+13.047043,882.588,13.047043,0.938048335,0.885883836,1.075138783,0.926658901,0.887351515,1.067384369,0.920759333,0.589123385,0.597213624,0.579471872,0.625680407,0.511359051,0.712617987,0.509501866
2432,C22 H38 O9,C22 H38 O9 Esi+10.139,446.2513,10.139,1.270767008,1.248411808,1.362827442,1.425749865,1.14851488,1.500915095,1.201975549,1.687533358,1.688266848,1.686658317,1.786471171,1.517985553,1.832762383,1.593898854
2433,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+12.688985",414.225,12.688985,2.1638131,1.919875717,2.318365048,2.087440749,2.225259775,1.971386401,2.221934978,2.938617221,2.661301273,3.269450282,2.780965209,3.157776633,2.746693282,3.062357655
2434,C32 H64 N6 O12,C32 H64 N6 O12,724.457,9.095974,0.437429194,0.625362281,0.154766015,0.344713521,0.403865704,0.589930193,0.328751068,0.196284335,0.317128424,0.052119457,0.214887902,0.149424057,0.323494889,0.114267003
2435,C38 H58 O12,Hovenidulcioside A2 Esi+14.469975,706.3911,14.469975,1.114538119,0.867601308,1.416979439,1.128081116,1.077640026,1.075948612,1.121418473,1.029437734,0.882368338,1.204888944,1.039585007,1.013350324,0.998400971,1.049448279
2436,C27 H42 N O2,Benzethonium Esi+10.427983,411.3189,10.427983,0.237196576,0.246801877,0.143469127,0.166738873,0.30007353,0.110681365,0.264598955,-0.223442373,-0.205259977,-0.245133653,-0.1855273,-0.296152864,-0.106370078,-0.298923195
2437,C15 H14 N O22 P S,C15 H14 N O22 P S Esi+13.677001,622.9465,13.677001,0.344698169,0.486692963,0.013546715,0.428573858,0.157864118,0.264789887,0.259897792,-0.108307921,-0.149728292,-0.058894146,-0.081111156,-0.160628188,-0.049335494,-0.146329618
2438,C34 H55 N2 O6,C34 H55 N2 O6,587.4054,11.366965,0.541402893,0.418396069,0.62980175,0.389750396,0.570861357,0.452882615,0.569510974,0.345197204,0.322314417,0.372495968,0.335969664,0.330850967,0.373763949,0.326779171
2439,C3 H6 O,"1,2-Epoxypropane",58.0422,3.4320056,0.535890051,0.395939041,0.5572651,0.322508132,0.694966729,0.221706939,0.673274151,-0.381938438,-0.340026061,-0.431939169,-0.204171161,-0.565641329,-0.184472081,-0.509252273
2440,C32 H58 O6,C32 H58 O6,538.4225,14.742974,1.460408079,1.685040213,1.155336481,1.545086546,1.347911565,1.625557983,1.346887903,-0.977865307,-1.225822734,-0.682056447,-0.954849638,-1.016286671,-1.014728946,-0.954097961
2441,C28 H56 N3 O S2,C28 H56 N3 O S2,514.3822,15.39898,0.74652957,0.756001999,0.594686067,0.836491161,0.600655657,0.695390387,0.678573239,-0.584927281,-0.683992239,-0.466744523,-0.607346345,-0.568892929,-0.606807088,-0.570820563
2442,<none>,<none> Esi+13.702955,764.432,13.702955,0.022824967,0.284734557,0.367400814,0.14880169,0.098638551,0.108832748,0.073551891,-0.019435575,-0.260925765,0.268657984,-0.075778707,0.056342988,-0.178657609,0.083220736
2443,C41 H64 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)",653.507,16.458006,1.796116842,1.989065681,1.735755146,1.979634906,1.961428946,2.016140398,1.879828253,-1.782268827,-1.958219655,-1.572362575,-1.713675022,-1.846096701,-1.613924213,-1.890806801
2444,C13 H22 O4,2-Carboxy-4-dodecanolide Esi+8.008022,242.1513,8.008022,0.041465956,0.208178759,0.154353497,0.218296419,0.17251836,0.230033814,0.13541038,-0.01277666,-0.126887182,0.123355191,-0.126132218,0.140918772,-0.16840947,0.087565546
2445,C23 H27 F N4 O3,7-Hydroxyrisperidone,443.233,6.2619987,0.256304705,0.449264259,0.080688441,0.128921126,0.562843528,0.00775386,0.441060472,-0.21127975,-0.406395996,0.021490508,0.005341793,-0.487981815,-0.099839991,-0.283129068
2446,C18 H38 N8 O4,Arg Lys Lys Esi+13.039005,447.33,13.039005,0.653148689,0.599571856,0.613529051,0.751020034,0.498507862,0.577259978,0.569141121,-0.227634354,-0.192102132,-0.270023671,-0.210103925,-0.263641258,-0.166060953,-0.267332994
2447,C6 H13 N O2,C6 H13 N O2,131.0947,1.3250011,0.838967762,0.845353744,0.750875599,0.852711146,0.751756819,0.776693191,0.80421456,0.331962765,0.379455353,0.275304941,0.370580928,0.294855143,0.351838225,0.319148323
2448,C24 H36 O10,Plantaricin BN,484.2288,9.053978,1.241990043,1.250709416,1.253042444,1.252212768,1.276246059,1.458630544,1.129488015,1.651856041,1.597464301,1.716744434,1.678355122,1.601394221,1.8337902,1.534556386
2449,C8 H10 O,"3,4-Dimethylphenol",122.073,5.144002,0.74741647,0.879811616,0.363060674,0.866369811,0.477469638,0.832192409,0.561017166,-0.546982103,-0.692189212,-0.37375257,-0.567809088,-0.545607531,-0.629934244,-0.493499802
2450,C24 H56 N4 O P S3,C24 H56 N4 O P S3,540.3305,12.689963,2.153552076,2.032272582,2.126459403,2.147885272,2.021492376,2.008073933,2.134645969,1.518722042,1.559775227,1.469746312,1.503259146,1.533696356,1.541420881,1.504087264
2451,<none>,<none> Esi+11.810037,538.7017,11.810037,0.130867158,0.022661214,0.381114625,0.040253007,0.247007188,0.143027078,0.16207932,0.098878815,0.046921292,0.160863227,0.090064021,0.0878139,0.114772038,0.088631868
2452,C11 H22 N2 O8,Mannopine Esi+9.113014,310.139,9.113014,0.091473482,0.033118276,0.170440672,0.095615371,0.164671335,0.190202616,0.101083147,0.077318115,0.02877126,0.135233662,0.02157295,0.139593208,0.079026492,0.076216662
2453,C27 H34 F2 O7,Difluprednate,508.2278,6.3809896,0.400148719,0.332233346,0.390666763,0.19872857,0.591753495,0.294470126,0.436422367,0.685986926,0.556318785,0.840678744,0.465405106,0.944607796,0.467087969,0.827119149
2454,C32 H66 N6 P S,C32 H66 N6 P S,597.4792,15.487044,0.782397793,0.813361313,0.523411764,0.672159901,0.724375739,0.696747149,0.689219235,-0.324932095,-0.417934072,-0.213982368,-0.282411794,-0.391531562,-0.292276362,-0.345986449
2455,C20 H32 O7,Cinnzeylanol,384.2149,9.879018,1.344501721,1.270065189,1.253186452,1.284789253,1.259021993,1.131994303,1.342758269,-1.071698969,-1.104831042,-1.032172986,-0.946201343,-1.239372972,-0.960447979,-1.14342658
2456,C50 H90 O7 P2,All trans decaprenyl diphosphate,886.5986,12.842025,0.433432085,0.470926032,0.174464458,0.489168366,0.126762856,0.325842894,0.352365147,-0.135890851,-0.205625208,-0.052698986,-0.139772018,-0.148255301,-0.109051381,-0.153195246
2457,C27 H61 N4 O11,C27 H61 N4 O11,617.4351,9.552001,0.398075786,0.425946864,0.396117394,0.538257129,0.176166283,0.469734871,0.322778408,-0.403198712,-0.37580187,-0.435882664,-0.458000369,-0.355910678,-0.431212071,-0.385137468
2458,C50 H87 N2 O14,C50 H87 N2 O14,939.6156,14.114991,0.98906993,1.093796288,0.715260123,1.077679825,0.769465269,0.984115498,0.901007523,-1.013191091,-1.243497004,-0.738440178,-1.053091015,-0.96879552,-1.042219165,-0.994475622
2459,C19 H17 N O7,Nedocromil Esi+13.259018,370.0936,13.259018,0.768884103,1.055888213,0.339630056,0.706463057,0.693151611,1.135273559,0.476327483,-0.470939859,-0.616870124,-0.296847612,-0.461083465,-0.448000434,-0.717742466,-0.311817125
2460,C11 H28 Cl N11 O4 P S4,C11 H28 Cl N11 O4 P S4,572.0646,13.289005,0.360881547,0.204426074,0.711144271,0.373888966,0.466056335,0.450680503,0.388951084,0.165524786,0.127201761,0.211243484,0.16833224,0.149725196,0.190451668,0.149453508
2461,C24 H30 O7,Mammea E/BB,452.1817,10.406987,0.546525475,0.44616205,0.630860737,0.776793542,0.199930784,0.710783312,0.44332873,0.256670659,0.221611309,0.298495849,0.356724216,0.097152631,0.319650645,0.216065142
2462,C13 H14 N O2,C13 H14 N O2,216.0984,5.840985,0.151688757,0.347381302,0.273034691,0.181253964,0.096158386,0.42171622,0.105060317,-0.019078403,-0.142449179,0.128100769,-0.029672002,-0.021398163,-0.121299992,0.046827621
2463,C28 H50 N6 O S,C28 H50 N6 O S,518.3794,16.070013,0.034222392,0.003602714,0.019418958,0.063370996,0.040308227,0.063701843,0.061022508,0.214876189,0.088972107,0.36507755,0.281122713,0.186945643,0.141573559,0.262137096
2464,C45 H54 N2 O4 S2,C45 H54 N2 O4 S2,750.3525,13.999018,1.032091329,0.84996543,1.034301331,0.916610403,1.004460009,0.998216396,0.962680496,-1.373709442,-1.306605659,-1.453763077,-1.308642616,-1.475720667,-1.50285088,-1.290447199
2465,C25 H40 N2 O6 S,"14,15-LTD4 Esi+10.938983",496.2646,10.938983,2.031332064,1.885684509,2.196574875,1.987536499,2.106513358,1.985111493,2.10152444,3.282559858,3.117131454,3.479913042,3.276539744,3.253056229,3.228534207,3.317392186
2466,C12 H Cl7 O2,"1,2,3,4,6,7,8-Heptachlorodibenzodioxin",421.7765,10.577975,1.122239964,1.113502585,1.094657041,1.030382034,1.068570584,1.237648951,1.020252166,0.553807493,0.602557016,0.495650168,0.553059153,0.523451632,0.644863369,0.495100415
2467,C36 H64 O6,C36 H64 O6 Esi+15.282972,592.4697,15.282972,1.228245174,1.390856059,0.987377469,1.24359904,1.168712157,1.253047911,1.162901712,-1.214074912,-1.522986322,-0.845549019,-1.136463855,-1.328757862,-1.254136392,-1.1882458
2468,C15 H26 N6 O4,Ala Lys His Esi+8.332006,354.2014,8.332006,0.932937113,1.101324083,0.70820558,1.030025457,0.895452011,1.189116912,0.865751717,0.964374199,1.060055683,0.850227868,0.928783721,0.988521315,1.093846539,0.880898612
2469,C38 H60 O18,Isostevioside,826.3669,7.1190114,0.419518275,0.44371148,0.376944944,0.380698526,0.447030966,0.261660673,0.495357886,-0.428109759,-0.438363779,-0.415876894,-0.352512417,-0.576794977,-0.332243135,-0.489918504
2470,C46 H80 N6 O12,C46 H80 N6 O12,908.5841,15.152034,0.767371214,0.67885822,0.782959115,0.766517415,0.697422402,0.864272675,0.671044268,0.72075621,0.710789131,0.73264676,0.779745488,0.641086034,0.8851088,0.61479204
2471,<none>,<none> Esi+13.13202,777.038,13.13202,0.280121837,0.464188676,0.122834427,0.312435517,0.208088747,0.123901248,0.279012198,-0.06536045,-0.152272758,0.038324408,-0.026749482,-0.13429052,0.02817063,-0.125663383
2472,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.4449916,306.1077,5.4449916,0.246389685,0.183718071,0.532932166,0.033208828,0.633439275,0.239765116,0.376625871,0.154875006,-0.00849197,0.349768942,0.038197602,0.329168291,0.03300324,0.233450224
2473,C15 H26 O4,Ethylene brassylate,270.1825,9.28898,0.074753254,0.182596115,0.061659601,0.171390017,0.015819611,0.091559686,0.020535987,0.052171222,-0.02785487,0.147640945,0.036934671,0.059042488,0.041604993,0.058983659
2474,C30 H58 N18 O2,C30 H58 N18 O2 Esi+14.218995,702.5018,14.218995,0.156246479,0.130288428,0.251000598,0.105212804,0.218306029,0.069524328,0.255881313,0.209101072,0.203702966,0.215540918,0.217914029,0.173632038,0.180151423,0.227765978
2475,C45 H79 O7 P,"PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.490981",784.5468,13.490981,0.261608515,0.078737596,0.670435333,0.23062992,0.43257074,0.360314918,0.300795341,0.144039485,0.081224216,0.218976999,0.140675676,0.13451512,0.187173587,0.116229341
2476,C17 H33 N O5,C17 H33 N O5,331.2351,7.415012,1.03027176,1.194274361,0.743969926,1.094383407,0.912086305,1.207286365,0.88168874,0.705411084,0.906847187,0.465101348,0.736913468,0.656491367,0.868409875,0.600319759
2477,C31 H40 O4,4-O-alpha-Cadinylangolensin,476.2953,7.722016,0.293854524,0.588728299,0.1310133,0.361223903,0.130923697,0.595825685,0.083318605,0.107896735,0.280428181,-0.097930254,0.16450838,0.004580123,0.287825029,-0.008109666
2478,C45 H87 N15 O9,C45 H87 N15 O9,981.6802,11.596991,0.30131844,0.214184491,0.475041384,0.257615566,0.350209909,0.425079813,0.28367144,0.203160384,0.186355685,0.223208095,0.235035593,0.130833767,0.310967354,0.133653259
2479,C32 H48 O5,Ganoderic acid X Esi+15.121031,512.3465,15.121031,0.618930668,0.681334287,0.313196758,0.450297935,0.628475397,0.309521165,0.635169963,-0.253484431,-0.355080671,-0.132281898,-0.143612093,-0.42232558,-0.107956933,-0.34731137
2480,C29 H57 N14 P,C29 H57 N14 P,628.4302,15.208985,0.92243526,0.915231019,0.883776887,0.904451774,0.922415475,1.020696522,0.767571308,-0.64593575,-0.717906549,-0.560075849,-0.612648568,-0.663724913,-0.812650704,-0.538448477
2481,C19 H21 N S,Dothiepin,295.1418,3.896989,0.239706074,0.208957335,0.243144236,0.576435622,0.144032354,0.55018556,0.037557575,0.126760081,0.126639543,0.12690388,0.268053643,-0.069313699,0.295924929,0.017693272
2482,C18 H38 O7,C18 H38 O7 Esi+8.775992,366.2596,8.775992,0.486148446,0.424591651,0.61923084,0.520056368,0.387353789,0.542675083,0.364926635,-0.402837873,-0.340697121,-0.476970699,-0.425208205,-0.362850522,-0.426140098,-0.387814069
2483,C27 H43 F O3,"1,24-Dihydroxy-25-fluorovitamin D3 Esi+11.806978",433.3156,11.806978,0.603815082,0.625908047,0.486285036,0.564212501,0.461982706,0.64021695,0.504562491,0.614940514,0.642436271,0.582138557,0.64796008,0.544861736,0.786820184,0.504123358
2484,C10 H16 Cl N5 O11 P S,C10 H16 Cl N5 O11 P S,480.0003,12.022969,0.321384997,0.46181085,0.212580018,0.441913477,0.084377481,0.4303599,0.262065228,0.294293911,0.369486228,0.204590797,0.420748716,0.094980029,0.403352136,0.223980056
2485,C24 H21 O12,5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside,518.131,14.699969,1.987942303,2.057070674,2.078344679,2.089993928,2.081678803,2.058366413,2.051360212,1.441068656,1.338034193,1.563986963,1.486933781,1.407865688,1.300966767,1.531397505
2486,C26 H28 N3,Pyrvinium,381.2204,6.069987,1.35989092,1.311750109,1.45385811,1.321572822,1.526740868,1.394740053,1.324564271,0.981852777,0.767329917,1.237774784,0.771318161,1.272141686,0.789382395,1.105945523
2487,C24 H42 N5 O8 P S,DEPMPO-biotin,590.2386,14.574967,1.895335533,2.027117045,1.555304761,1.973881194,1.720874251,1.955694561,1.792637978,-1.585575843,-1.808563079,-1.319555982,-1.643741779,-1.505265012,-1.738279767,-1.487121997
2488,C19 H35 N2 O,C19 H35 N2 O,306.2417,10.541993,0.872839945,0.898636302,0.843431193,0.7963311,0.97527836,1.039156855,0.79202078,-0.706529804,-0.757623382,-0.645576061,-0.678134013,-0.774372978,-0.898438867,-0.58279896
2489,C18 H38 O7,C18 H38 O7 Esi+8.77501,366.2611,8.77501,0.226606848,0.141724769,0.291153224,0.277095775,0.115510308,0.17919669,0.187522887,-0.244282686,-0.135010411,-0.374642592,-0.251065087,-0.258632929,-0.138160613,-0.312703496
2490,C6 H6 O5,Zymonic acid,158.0202,0.8329972,0.434448964,0.559997284,0.14506001,0.368485473,0.494885968,0.423175247,0.373667174,-0.353992911,-0.594436586,-0.067147825,-0.262335993,-0.47871047,-0.407885871,-0.319246134
2491,C13 H2 N O17 P S2,C13 H2 N O17 P S2,538.8497,10.92602,1.464980958,1.47287323,1.439330585,1.501274214,1.349538515,1.540026775,1.429248122,0.761895115,0.806444031,0.70874904,0.793045229,0.690995674,0.836826436,0.713584132
2492,C14 H16 Cl2 N12 O5 S2,C14 H16 Cl2 N12 O5 S2,566.0189,7.4840064,0.308272514,0.258352843,0.085248795,0.101073857,0.533371658,0.191111653,0.252493805,0.168140665,0.203158581,0.126364905,0.049237269,0.33216619,0.161808001,0.172223566
2493,C36 H62 N O10 P,"PS(18:4(6Z,9Z,12Z,15Z)/12:0)",699.4195,11.145997,0.005982972,0.368997875,0.760871116,0.0488274,0.187471915,0.110851234,0.167476818,0.06065784,-0.111520609,0.266063708,0.055829634,0.06610078,-0.005681707,0.10342939
2494,C19 H40 O4,C19 H40 O4 Esi+14.397965,332.2919,14.397965,0.569360977,0.390567822,0.81202611,0.712228993,0.480347367,0.623496076,0.580670956,0.322573234,0.205794135,0.461888651,0.331769752,0.301658687,0.326619967,0.319964157
2495,C31 H50 N14 O13,C31 H50 N14 O13,826.3672,7.224984,0.047234441,0.000741893,0.070148934,0.079427466,0.1009235,0.057425772,0.018694969,0.039739608,0.025668619,0.05652605,0.106145971,-0.078668747,0.038259583,0.040693835
2496,<none>,<none> Esi+13.222972,508.6912,13.222972,0.157602339,0.014161055,0.484078503,0.079033049,0.395029777,0.172981941,0.246949782,0.083759349,0.041210323,0.13451959,0.072098178,0.091846208,0.087768072,0.081174777
2497,C16 H32 N O4,"2,6 dimethylheptanoyl carnitine Esi+7.847016",301.2245,7.847016,0.395740504,0.521652561,0.24650499,0.491382396,0.263413929,0.512438052,0.299547805,-0.246469443,-0.301954434,-0.180276822,-0.261399042,-0.231495849,-0.289578103,-0.218675702
2498,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.263994,312.1547,7.263994,2.739669007,2.677183056,2.903390371,2.751497201,2.908751406,2.729488915,2.837770928,2.584680123,2.472467129,2.718548255,2.495937752,2.689328964,2.506722365,2.634942361
2499,C31 H65 N O6 P S,Heptanoyl thio-PC Esi+10.47299,609.4182,10.47299,0.901915043,0.888002821,0.859311578,1.12140728,0.596676469,0.808828782,0.841820126,-0.453978495,-0.44266906,-0.467470451,-0.477337494,-0.439512736,-0.361200396,-0.513795953
2500,C14 H2 N O22 P,C14 H2 N O22 P Esi+13.032974,566.8792,13.032974,1.676904018,1.772815073,1.658492187,1.610744009,1.830150893,1.593095382,1.818910216,0.898356452,0.977985013,0.803360975,0.882946226,0.903370582,0.868828569,0.917394165
2501,C18 H38 N O5 P,N-palmitoyl-phosphoethanolamine,379.2481,11.055993,0.986456549,0.819148142,1.147656484,0.806087582,1.140642928,0.897648436,1.002083825,0.337799387,0.277249312,0.410034564,0.264537655,0.437696247,0.308792772,0.35650102
2502,<none>,<none> Esi+12.489991,880.0955,12.489991,0.007710461,0.05334592,0.15560861,0.030672583,0.026110029,0.103742039,0.010583966,0.076946185,0.056247083,0.10163985,0.116643107,-0.005328464,0.13823721,0.037429602
2503,C24 H42 O9,C24 H42 O9 Esi+10.866966,474.2826,10.866966,1.586247129,1.484828064,1.723540656,1.540982447,1.614561994,1.586326652,1.626579673,2.149472977,2.028230367,2.294113284,2.184870849,2.06707447,2.144142521,2.152909719
2504,C33 H2 Cl2 O23 S5,C33 H2 Cl2 O23 S5,995.6957,12.166014,0.164727034,0.07394306,0.391470249,0.113351882,0.256791877,0.300160078,0.167985723,0.143454317,0.107158388,0.186754725,0.164041643,0.087310195,0.241209002,0.080428271
2505,C18 H27 N7 O4,Leu His His,405.2085,6.177987,0.449091436,0.358377232,0.502406886,0.631620219,0.150807175,0.563962333,0.329686704,0.396612698,0.303235051,0.508010592,0.51583247,0.213751993,0.474680978,0.346279201
2506,C40 H48,Isorenieratene/ (Leprotene) Esi+12.3290205,528.3743,12.3290205,1.360617953,1.464477519,1.103943911,1.428859362,1.269317764,1.400742019,1.264517282,1.410435404,1.5919081,1.193941661,1.496642515,1.30608653,1.579351928,1.301528697
2507,C19 H19 N3 O11 S2,Hydroxytenoxicam glucuronide,528.0386,13.488023,0.343439047,0.174017769,0.686627555,0.269084004,0.526940255,0.417558533,0.369946143,0.158473971,0.11244574,0.213384843,0.148659925,0.160507282,0.188346246,0.139214215
2508,C11 H12 N2 O7,Ala-Ser-OH,284.0631,8.663974,0.545397605,0.711328589,0.247108517,0.584685726,0.406293986,0.634087065,0.438551873,0.588801385,0.891337786,0.227880767,0.759036795,0.319169857,0.886110696,0.397115119
2509,C27 H51 O12 P,PI(18:1(9Z)/0:0) Esi+12.474013,598.3117,12.474013,2.581399513,2.50141859,2.719101857,2.629057307,2.666200463,2.539772978,2.665270747,3.965667283,3.834381269,4.122289195,3.847899812,4.099887266,3.836046539,4.049238552
2510,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+4.835003 :1,186.0892,4.835003,0.316027468,0.206681853,0.473291644,0.148564227,0.425259092,0.359614727,0.275296256,0.344081869,0.250360714,0.455889562,0.28531311,0.389212376,0.472899235,0.261028567
2511,C27 H46 O8,C27 H46 O8 Esi+14.397965,498.3219,14.397965,0.097864681,0.045890862,0.181455138,0.001792887,0.131542401,0.021653962,0.133828041,0.12548403,0.04244974,0.224542481,0.104230281,0.155440992,0.09710601,0.143780385
2512,C15 H11 N3 O21 P S,C15 H11 N3 O21 P S,631.9335,11.243982,0.058222296,0.082606995,0.027058855,0.176906251,0.124484314,0.134490483,0.118432677,0.018087951,0.017051238,0.01932473,0.003005596,0.012394645,0.130901273,-0.054646954
2513,C23 H44 N O9 P,PS(17:1(9Z)/0:0),508.2647,11.134014,2.133975436,2.015062968,2.291597161,2.160323091,2.167593366,2.094748833,2.186758556,2.666665238,2.473281533,2.897368605,2.636430195,2.689148008,2.631035816,2.689636839
2514,C4 H7 Br2 Cl2 O4 P,Naled,399.7634,10.621999,1.249436622,1.316769755,1.158150113,1.273025404,1.100003173,1.344035748,1.189500541,0.591206452,0.662793814,0.505803985,0.625190681,0.51655625,0.680289257,0.533771486
2515,C18 H37 N O3,"(4OH,8Z,t18:1) sphingosine",315.2766,10.479985,0.76547683,0.891066553,0.459343789,0.812529189,0.596149574,0.82219309,0.681242416,-0.429593895,-0.537428931,-0.30094859,-0.438476584,-0.38944355,-0.472244716,-0.40209534
2516,C13 H4 O23 P,C13 H4 O23 P,558.886,10.892015,0.05252984,0.036696677,0.253289791,0.032526223,0.19963055,0.169696719,0.058356073,0.050006893,0.015206874,0.091522705,0.033558908,0.049256743,0.108979856,0.011984851
2517,C19 H47 N7 O7,C19 H47 N7 O7,485.3612,9.576008,0.60833994,0.565029749,0.557081873,0.620512002,0.431170452,0.621999602,0.500116659,-0.273819688,-0.250849188,-0.30122309,-0.264066023,-0.2941238,-0.252496147,-0.28756776
2518,C43 H78 N O10 P,"PS(20:1(11Z)/17:2(9Z,12Z))",799.5387,11.81803,0.150803258,0.216017622,0.111635678,0.196174573,0.077526029,0.049463153,0.137902207,-0.023595444,-0.086491959,0.051438995,-0.034737498,-0.032889522,0.021331533,-0.052561521
2519,C14 H20 O4,QH(2),252.134,7.6199956,1.954648696,1.852653298,2.114935872,1.916436866,2.072762378,1.921836903,2.046891683,1.852180455,1.726811421,2.001743512,1.765349314,1.936291004,1.826544832,1.868708685
2520,C24 H34 O4 S,17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate,418.2174,6.625,0.195602724,0.021766893,0.435439901,0.254604233,0.120238059,0.172827872,0.161980341,-0.176574923,-0.026122433,-0.356062104,-0.172240136,-0.197777103,-0.173288174,-0.178694011
2521,C6 H13 N O3 S,(R)C(R)S-S-Propylcysteine sulfoxide,178.0564,5.6059933,0.219298032,0.381228884,0.024929684,0.364150182,0.093857959,0.348715026,0.105013774,-0.055087151,-0.112635844,0.013567429,-0.052840529,-0.057335611,-0.064939661,-0.048734875
2522,C48 H80 N6 O15,C48 H80 N6 O15 Esi+14.394028,980.5674,14.394028,0.013723419,0.085892424,0.229928235,0.076204179,0.076088321,0.170445221,0.041799059,0.078356007,-0.006431285,0.17950576,0.167014726,-0.070089588,0.188985626,0.007029016
2523,C22 H44 N6 O8,C22 H44 N6 O8,520.3219,7.7910094,0.23580279,0.419703415,0.095740345,0.253586106,0.188573716,0.393883226,0.134708399,0.076257134,0.211962507,-0.085636995,0.086903634,0.03770562,0.180331211,0.009156743
2524,C15 H32 O6,"1,2,3-Tris(1-ethoxyethoxy)propane Esi+7.8079896",308.2196,7.8079896,0.555186216,0.423510132,0.7593637,0.469468175,0.65277952,0.54519746,0.586011863,-0.404610012,-0.291674862,-0.539339664,-0.372446328,-0.476978505,-0.345392573,-0.442789676
2525,C13 H22 O6,C13 H22 O6,274.1395,4.177991,0.080302001,0.223379001,0.195952413,0.320742147,0.208458838,0.134963591,0.032176687,-0.061334014,0.06619294,-0.213471434,0.158435743,-0.348582909,0.084430226,-0.15531359
2526,C39 H87 N14 O13 P,C39 H87 N14 O13 P,990.6315,14.387958,1.679519051,1.715474759,1.436266959,1.799945593,1.46374733,1.731837541,1.594366912,-1.596395231,-1.828149395,-1.319916579,-1.587366967,-1.614220588,-1.667640732,-1.550460631
2527,C9 H12 O3,4-Ipomeanol Esi+5.145009,168.0783,5.145009,0.882364306,1.085008706,0.425403416,1.097481692,0.537463323,1.029001068,0.652512302,-0.614039609,-0.793332735,-0.400146055,-0.682032162,-0.550185502,-0.735481747,-0.535741389
2528,C33 H6 Cl3 N6 O2 S,C33 H6 Cl3 N6 O2 S,654.9332,12.720965,1.083359972,0.972236061,1.320061734,0.93212344,1.221837623,0.869046604,1.252211085,0.632826148,0.592034285,0.681490125,0.592758072,0.664875786,0.525479065,0.702036767
2529,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+8.532983",705.4866,8.532983,0.62996186,0.630995321,0.575515143,0.75313528,0.403310694,0.695327356,0.506574902,-0.352800377,-0.333960874,-0.375275574,-0.403767295,-0.273197351,-0.373456726,-0.339482468
2530,C14 H16 O5,1'-Acetoxyeugenol acetate,264.0976,5.8620152,0.278384375,0.076505955,0.484725278,0.039699837,0.337662578,0.132929619,0.329683736,0.231265526,0.105115715,0.381760036,0.231817764,0.217243453,0.177140756,0.266161759
2531,C15 H23 N3 O16 P2,UDP-L-Ara4FN,563.0559,12.610028,0.02433011,0.136312549,0.341074981,0.09566794,0.202471022,0.0207271,0.010901828,0.042781166,-0.037221651,0.138223123,0.019651793,0.060007206,0.072595571,0.02355872
2532,C18 H20 O5,"(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan Esi+8.942996",338.1146,8.942996,0.15904785,0.343938437,0.152130269,0.211509513,0.078778921,0.122165401,0.161750875,-0.195005889,-0.378195643,0.023536273,-0.255107458,-0.074469871,-0.212911862,-0.183461249
2533,C18 H21 N3 O4,"N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide Esi+8.244012",343.1536,8.244012,0.430638301,0.44118637,0.470054657,0.52906093,0.351920921,0.81409973,0.163391258,-0.641294822,-0.579677762,-0.714802895,-0.769012019,-0.46844578,-0.909057013,-0.468658673
2534,C11 H9 N O3,Anibine,203.0554,1.2400002,0.936250832,0.92541829,0.87954028,0.82191878,1.059359621,0.817483932,0.962131178,0.488050065,0.496283815,0.478227346,0.422328117,0.586840312,0.447068465,0.514472413
2535,C21 H34 O8,"methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate Esi+12.343014",436.207,12.343014,1.814391058,1.466377306,2.143340616,1.637555744,2.000808237,1.649187276,1.892204768,2.639631399,2.235662644,3.121559035,2.402445401,2.981588065,2.375981597,2.809616139
2536,C9 H27 N10 P,C9 H27 N10 P,306.2146,11.256017,1.602904689,1.643768759,1.484281615,1.66190934,1.415224008,1.644416613,1.586476034,1.284502513,1.395560492,1.152012293,1.380392706,1.12042254,1.418634852,1.198022453
2537,C33 H38 Cl N2 O4 P S,C33 H38 Cl N2 O4 P S,624.1963,16.261974,0.489985514,0.550122449,0.372215271,0.280847972,0.650211177,0.527423813,0.43201611,0.661388009,0.780211231,0.519633989,0.535455447,0.812169373,0.75283064,0.602431576
2538,C18 H17 N3 O22 P S,C18 H17 N3 O22 P S Esi+12.129965,689.9753,12.129965,0.83372832,0.674190021,0.930688247,0.806372192,0.655661943,0.833060205,0.776314888,0.59290247,0.532486093,0.664978149,0.610223058,0.545921674,0.662585328,0.547975365
2539,C27 H46 O3,"7alpha,25-dihydroxycholesterol Esi+12.454025",440.3224,12.454025,0.42293462,0.465935587,0.245459819,0.497730936,0.30836608,0.28842398,0.395644181,-0.113106269,-0.149972151,-0.069125919,-0.09334118,-0.154594649,-0.050195789,-0.153666973
2540,C28 H53 N O8 P,"PC(18:2(9Z,12Z)/2:0)[U]",562.3507,12.570007,1.726993379,1.774877203,1.349168543,1.605305275,1.536479524,1.620048504,1.593312835,1.544107308,1.73177745,1.320220122,1.578963398,1.481512844,1.638353111,1.483343567
2541,C12 H22 S2,Dicyclohexyl disulfide Esi+4.515995,230.1151,4.515995,1.130338923,1.036154339,1.245053326,0.895242347,1.306164239,0.968943722,1.218644403,1.292139222,1.235279163,1.359972275,1.247023453,1.370152257,1.31313057,1.278605327
2542,<none>,<none> Esi+10.556979,443.7896,10.556979,1.216003461,1.33700061,1.060482957,1.212516644,1.130959344,1.270117757,1.174014733,0.649732507,0.750519819,0.529495011,0.674039237,0.583826909,0.730942425,0.59737348
2543,C46 H98 N3 O,C46 H98 N3 O,708.7694,6.2979846,2.059079168,1.960158742,1.99674739,1.951066628,2.110729267,1.917068617,2.078657889,2.329436936,2.456030862,2.178412604,2.198300233,2.496495266,2.308856355,2.342705995
2544,C11 H14 O5,Dihydrosinapic acid Esi+4.9600024,226.0815,4.9600024,0.855460089,0.876150112,0.633290193,0.71166253,0.830236202,0.781259358,0.804080949,0.76746537,0.875973914,0.63801658,0.79843203,0.716978514,0.931795921,0.66151541
2545,C24 H49 N8 O5,C24 H49 N8 O5 Esi+9.583986,529.3833,9.583986,0.761731539,0.509011105,1.017089112,0.847798211,0.741790665,0.570599863,0.872769551,-0.773636159,-0.374361344,-1.249964008,-0.77365401,-0.792687155,-0.371183575,-1.033112167
2546,C19 H39 N O2,Heptadecanoyl Ethanolamide,313.2978,11.596991,0.964508458,0.75875177,1.281639541,0.863015354,1.194064951,0.721399807,1.19092077,0.500813906,0.40296781,0.617542581,0.472555639,0.560737694,0.408505424,0.560328584
2547,C18 H32 O3,12(13)-EpOME Esi+13.371022,296.2346,13.371022,0.478281725,0.71369928,0.135095029,0.336684326,0.484944494,0.821403069,0.203189885,-0.145346211,-0.246195953,-0.025034237,-0.122805723,-0.169386447,-0.306338657,-0.041548449
2548,C10 H9 Cl2 O5 P S5,C10 H9 Cl2 O5 P S5,469.8163,9.14402,0.410473252,0.376755961,0.510054225,0.607782853,0.153703896,0.428417952,0.38021609,-0.323017424,-0.262147002,-0.39563477,-0.416809585,-0.21488439,-0.267622935,-0.358732292
2549,C40 H82 N O7 P,PE(O-16:0/19:0),741.5583,16.392033,1.819076057,1.955658669,1.706133018,1.908041369,1.95564373,1.948254661,1.867150257,-1.225257565,-1.310867435,-1.123126491,-1.159869959,-1.293499731,-1.113124142,-1.297554114
2550,C15 H23 N O2,Nupharidine Esi+9.245009,249.1701,9.245009,0.074709914,0.070234232,0.079080674,0.074870928,0.145384982,0.177863942,0.14030042,-0.038478317,-0.043614858,-0.032350514,-0.17680159,0.184585716,-0.407836511,0.199660519
2551,C26 H40 N7 O19 P3 S,Mesaconyl-CoA,901.1186,13.483961,0.654173299,0.686704141,0.388617109,0.744546796,0.311460056,0.550449095,0.553505787,-0.253425819,-0.337986361,-0.152546576,-0.270992867,-0.247901974,-0.225239292,-0.271598711
2552,C26 H52 N O8 P,PS(P-20:0/0:0) Esi+13.628981,536.3321,13.628981,1.305461089,1.107717772,1.451542755,1.146334969,1.396644711,1.187687271,1.364342343,1.640252108,1.449930607,1.867302321,1.528233603,1.78646154,1.485466846,1.74004787
2553,C9 H16 O4,Butyl ethyl malonate Esi+6.043,188.1041,6.043,0.578411884,0.911334132,0.067412261,0.741067012,0.239197645,0.670117281,0.369106028,-0.344160044,-0.582232883,-0.060143324,-0.424746926,-0.196303219,-0.413896306,-0.299198507
2554,C16 H26 O4,Lactapiperanol C,282.1827,10.647972,0.50839183,0.902732162,0.059822588,0.498236854,0.432067049,0.708581835,0.376165002,-0.290430121,-0.453927093,-0.095381101,-0.258187261,-0.336043762,-0.348627172,-0.252908337
2555,C19 H20 O4,Gancaonin V Esi+13.177982,312.1359,13.177982,2.15592008,2.114808591,2.178903292,2.128376397,2.241398647,2.087501173,2.24753863,-1.554560921,-1.570094991,-1.536029047,-1.555891484,-1.53114269,-1.602897944,-1.523396261
2556,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.677982",522.428,16.677982,0.901769512,0.963181323,0.699380814,0.829676731,0.893963907,0.62346848,0.984614105,-0.527938024,-0.63693561,-0.397905815,-0.436302461,-0.655863122,-0.323078621,-0.660018428
2557,C23 H43 N O3 S,N-oleoyl methionine,413.2984,7.0109887,0.793098921,0.630132452,1.006625381,0.920656131,0.647738578,0.662066734,0.804267055,-0.420842885,-0.303835551,-0.560430581,-0.409991125,-0.457034345,-0.296425066,-0.501059636
2558,C22 H49 N11 P S,C22 H49 N11 P S,530.3796,14.46197,0.351419906,0.564594271,0.018451203,0.20768127,0.488585378,0.103998581,0.439278512,-0.209515893,-0.450594365,0.078086495,-0.055491452,-0.42765532,0.003384403,-0.346780558
2559,C37 H60 N17 O3 S,C37 H60 N17 O3 S,822.4785,14.387958,0.151078738,0.055127227,0.363374421,0.298433031,0.033858983,0.360031693,0.018216805,0.170809672,0.110920711,0.242256152,0.328779698,-0.052070754,0.314155569,0.078389291
2560,C21 H32 N3 O7,C21 H32 N3 O7,436.1997,13.069009,1.306262775,1.086746535,1.723562715,1.247980298,1.499698733,1.311115222,1.399482601,1.47570868,1.080834985,1.946786071,1.385708758,1.65174337,1.246207211,1.623676732
2561,C36 H69 Cl2 N6 O4 P,C36 H69 Cl2 N6 O4 P,750.4538,14.121026,0.405766442,0.185461657,0.780630829,0.428665614,0.422870294,0.386899976,0.473637832,0.41668587,0.245805602,0.620543032,0.419511327,0.399271538,0.371767521,0.445646385
2562,C28 H52 O5,C28 H52 O5 Esi+14.952948,468.3814,14.952948,1.753796509,1.929677275,1.545275296,1.861797583,1.660800636,1.819022592,1.728613108,-1.489249673,-1.785608773,-1.135698465,-1.458712508,-1.550574852,-1.420883538,-1.533327839
2563,C24 H27 N13 O19 P S,C24 H27 N13 O19 P S,864.1005,13.945014,0.334221222,0.401818995,0.008746268,0.352859884,0.034685218,0.148260239,0.263009796,-0.061395032,-0.128374905,0.018510781,-0.061921553,-0.080994402,-0.007405181,-0.096204278
2564,C20 H30 O3,Methyl [8]-Shogaol,318.2166,12.725024,0.266597756,0.428087454,0.05139811,0.394974084,0.052212373,0.314883372,0.119826017,-0.077985532,-0.146615425,0.003888727,-0.066616429,-0.106627887,-0.065080232,-0.086306054
2565,C26 H19 N5 O13 S4,C.I. Food Black 2,735.9776,11.9729805,1.791933591,1.777271937,1.808696422,1.875560446,1.694229849,1.846383021,1.775286708,1.118152485,1.158431341,1.070100517,1.164524148,1.024174103,1.181514584,1.077300606
2566,C10 H16 N6 O2 S,Cimetidine sulfoxide Esi+7.1180134,284.1018,7.1180134,0.615921584,0.375363054,0.824730945,0.431774323,0.717662356,0.377077388,0.736352661,0.51519484,0.384985987,0.670531718,0.449982026,0.593529029,0.394778781,0.592831511
2567,C21 H38 N6 O3,C21 H38 N6 O3,422.3023,14.105972,0.785789156,0.837948864,0.748909507,0.838567842,0.683011687,1.010940761,0.683957498,0.484502583,0.554046501,0.401537909,0.555798219,0.35578663,0.665852001,0.367579933
2568,C14 H21 N3 O6,Asp Pro Pro Esi+8.42898,326.134,8.42898,1.00737388,1.181805125,0.864002427,1.053125458,0.977170707,1.418578926,0.799047175,-0.630826828,-0.697967091,-0.550729672,-0.743919008,-0.452831731,-0.856176475,-0.485535608
2569,C26 H44 O8,Goshonoside F2 Esi+14.233958,501.3302,14.233958,0.287157054,0.491586049,0.031676602,0.398815347,0.134618809,0.251623963,0.259202929,-0.163670544,-0.332534842,0.0377816,-0.222626816,-0.080265296,-0.179388569,-0.153536554
2570,<none>,<none> Esi+11.820003,800.0403,11.820003,0.056955554,0.037268421,0.304857368,0.008029587,0.203179349,0.231092631,0.006373686,0.097442148,0.050559882,0.153371868,0.090955857,0.074753235,0.19004424,0.037738167
2571,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+7.2259846,170.0933,7.2259846,0.363499729,0.255854319,0.465544817,0.272318041,0.408648869,0.243550583,0.448381174,0.217045466,0.177022929,0.264791652,0.199757038,0.2342618,0.14744281,0.261920863
2572,C18 H36 N6 O5,Istamycin B3 Esi+13.099036,416.2784,13.099036,1.33644018,1.097514278,1.507823815,1.234641362,1.270187705,1.160852005,1.345995024,1.379061707,1.159003239,1.641587599,1.31777363,1.437856175,1.319950909,1.417172617
2573,C15 H24 N6 O6,Gln His Thr,384.1745,8.837007,1.019475419,0.935669528,0.961270427,0.898409328,0.95239982,0.968625693,0.894634178,-0.574377676,-0.514075006,-0.646317703,-0.57515706,-0.554604365,-0.587319287,-0.566033742
2574,<none>,<none> Esi+9.135008,480.8079,9.135008,0.078958506,0.12802327,0.039394048,0.132381032,0.371147109,0.162275958,0.209241916,-0.138856011,-0.029352553,-0.269491716,-0.323454953,0.089989463,-0.240922064,-0.073050267
2575,C9 H16 O5,"Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate",204.0992,4.2360086,1.260209166,1.469651791,0.959002334,1.19351384,1.338684224,1.594710104,1.072487115,1.263889522,1.422456771,1.074721576,1.262272224,1.231118242,1.599200606,1.047702113
2576,C35 H65 N9 O P,C35 H65 N9 O P,658.5027,14.243963,0.33661467,0.408159843,0.23234776,0.198385298,0.390658106,0.112199879,0.46513231,0.306494459,0.337972341,0.268941898,0.254604779,0.368404038,0.211988356,0.367426025
2577,C44 H77 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))",763.5252,10.031987,0.410686492,0.404786876,0.39371315,0.516870652,0.257458745,0.301439258,0.385040747,-0.193017865,-0.168380276,-0.222410077,-0.172027004,-0.23261789,-0.106006886,-0.249117049
2578,C22 H38 N15,C22 H38 N15,512.3386,14.614991,0.272190441,0.074400384,0.591346132,0.332785675,0.252728529,0.390151096,0.272214814,0.318343945,0.184520757,0.477992661,0.372619499,0.237890551,0.385503321,0.275043821
2579,C15 H42 N20 P,C15 H42 N20 P,533.3612,11.968995,0.977261082,0.813515592,1.179069932,0.997762313,0.914579114,0.955247645,1.014708344,0.431649541,0.41129909,0.455927272,0.45604129,0.38056344,0.47193518,0.405675905
2580,C19 H38 N6 O6,C19 H38 N6 O6,446.2838,9.472008,0.07985693,0.253369287,0.22452063,0.150334787,0.100865918,0.016848269,0.050460926,-0.196811463,-0.305959446,-0.066599834,-0.297420578,-0.018787909,-0.095820971,-0.261923754
2581,C13 H25 N O2,C13 H25 N O2 Esi+9.162002,227.1881,9.162002,0.075591116,0.200876662,0.041763284,0.063484616,0.070700787,0.414182149,0.03906547,-0.183070983,-0.182359941,-0.183919243,-0.28173909,-0.041971136,-0.36926145,-0.063027129
2582,C30 H42 O2,beta-Citraurol,433.3039,10.613018,2.130183917,2.03562141,1.955982076,2.074939564,1.988431413,2.013390048,2.058554662,2.223402922,2.255018642,2.185685923,2.183079446,2.264263419,2.216577846,2.2278033
2583,C28 H49 N O7 P,"1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-sn-glycero-3-phosphocholine Esi+7.5279856",559.356,7.5279856,0.976598619,0.82647277,1.164470777,0.996944834,0.967433293,0.847539644,1.040081058,-0.632813806,-0.501231478,-0.789789215,-0.580701977,-0.727145409,-0.491793987,-0.723734479
2584,C10 H19 N5 O,Secbumeton,247.1416,0.8699987,0.84865638,1.051229021,0.739517148,0.691289939,1.00257505,0.773770759,1.04907109,0.61594086,0.733994652,0.475104758,0.639271064,0.557381656,0.571054695,0.644880625
2585,<none>,<none> Esi+9.610004,509.8286,9.610004,0.663048873,0.837916592,0.377472188,0.61198837,0.631179766,0.794214849,0.569945375,0.292892679,0.420884527,0.140200649,0.305693387,0.250279082,0.410030555,0.217369574
2586,C41 H58 O,Anhydrorhodovibrin,566.4533,15.0810375,1.673661705,1.762584161,1.562442927,1.747627858,1.606519345,1.672367312,1.656339966,-1.172094416,-1.340076359,-0.971694906,-1.150591038,-1.221590806,-1.155751356,-1.182631389
2587,C32 H54 O4,C32 H54 O4,502.401,16.325975,1.913973995,1.947021371,1.588155881,1.886681954,1.732242066,1.89002982,1.776761857,-1.858991937,-2.153649052,-1.507471169,-1.840620997,-1.874024747,-1.882845186,-1.843612869
2588,C28 H44 O5,Polyporusterone G Esi+11.657976,477.3403,11.657976,0.269875798,0.386677779,0.006096585,0.388806404,0.108913882,0.234509054,0.205052096,-0.079545664,-0.133585231,-0.01507741,-0.084674805,-0.094925405,-0.046370915,-0.100934647
2589,C28 H49 N O8,Dihydropicromycin,544.3691,9.156988,0.590811422,0.585908735,0.628168549,0.882198245,0.166201155,0.953614831,0.349295842,-0.752184679,-0.704051548,-0.80960666,-0.997758544,-0.422298753,-0.991440595,-0.597927575
2590,C19 H40 O7,C19 H40 O7 Esi+9.443994,380.2754,9.443994,0.43282076,0.435042138,0.452549176,0.416603124,0.445368697,0.343934917,0.475074245,-0.299650899,-0.275523287,-0.328434717,-0.264105164,-0.381192537,-0.198725178,-0.36472143
2591,C19 H24 O2,alpha-Terpinyl cinnamate,284.1802,9.788985,0.807251942,0.78451637,0.760892535,0.787839315,0.673771302,0.886483217,0.77586673,0.554421507,0.545696877,0.564829837,0.608868951,0.471583978,0.62101073,0.511488981
2592,C34 H54 N3 O11,C34 H54 N3 O11 Esi+12.977031,680.3742,12.977031,0.193458196,0.164816394,0.176641844,0.108212121,0.274142631,0.075111657,0.276798231,-0.09268134,-0.158217091,-0.014498339,-0.009752114,-0.228962604,0.044215732,-0.180943927
2593,C34 H50 O8,"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone",603.3822,7.6120276,0.946177539,0.779398273,1.127985428,0.878439306,0.982722298,0.683828134,1.032796258,-0.536928592,-0.408243574,-0.69044756,-0.46449673,-0.651834974,-0.360072779,-0.65095405
2594,C30 H44 O5,21-Hydroxyisoglabrolide Esi+7.2540197 :1,501.3508,7.2540197,0.590021881,0.412377931,0.882098791,0.675175697,0.447476205,0.388568118,0.669532856,-0.305905269,-0.188055381,-0.446498119,-0.285219211,-0.356283734,-0.161226834,-0.399184787
2595,C33 H54 N6 O11,C33 H54 N6 O11,710.3847,12.832016,1.382245781,1.140012805,1.75271517,1.472931109,1.361225558,1.407415002,1.436751924,1.101705968,0.923285781,1.314558122,1.125740603,1.072000349,1.024650326,1.15138658
2596,C32 H53 N2 O S,C32 H53 N2 O S,513.3872,11.023995,0.127564379,0.279986002,0.057269337,0.273357069,0.122053888,0.001561685,0.263737671,-0.113220496,-0.15834242,-0.059390831,-0.107147591,-0.122085217,0.057542063,-0.223317408
2597,C24 H30 O6,Clausarinol Esi+10.030023,431.2303,10.030023,1.389285757,1.192438714,1.556153314,1.141600192,1.779879607,0.845197267,1.73943113,1.018527684,0.871107015,1.194397957,0.783685187,1.41671852,0.584584329,1.298306953
2598,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid,661.4603,8.520014,0.67774817,0.80339103,0.533965655,0.879042226,0.255517563,0.698227697,0.586084487,-0.45333216,-0.456000531,-0.450148841,-0.545902411,-0.317276023,-0.412053296,-0.479946165
2599,C17 H27 N O,Cryptophorine,278.2354,10.47299,1.132056496,1.430316469,0.689377873,1.234949597,1.126405599,1.338430108,0.949301239,-0.34268043,-0.459058117,-0.203843891,-0.330527976,-0.351544275,-0.409124682,-0.299841372
2600,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.141015,468.2334,10.141015,1.107409543,1.007399105,1.339919769,1.05738366,1.181889083,1.115834092,1.12294158,1.646402309,1.457270256,1.872033531,1.52178859,1.788940804,1.535955347,1.717611535
2601,C49 H87 O12 P,"PI(P-20:0/20:4(5Z,8Z,11Z,14Z))",915.6223,13.113023,0.668762218,0.69141242,0.40905064,0.704611855,0.387343857,0.524900516,0.6073107,-0.245654503,-0.331389593,-0.143374044,-0.236649728,-0.277127795,-0.203145891,-0.273061371
2602,C8 H10 O2,2-Phenoxyethanol,138.0678,7.808986,0.096212553,0.040704079,0.223007065,0.039864583,0.156678642,0.142124824,0.10238006,0.077602951,0.008735411,0.159760717,0.063960154,0.083265705,0.109134415,0.057273454
2603,C23 H44 N2 O12,C23 H44 N2 O12,540.3007,9.974021,1.929465677,1.894735399,1.967728015,1.990726994,1.923588351,1.984357792,1.964537289,2.233703437,2.131542977,2.355579074,2.214975676,2.237538605,2.203165717,2.253392231
2604,C6 H8 O2,4-Hexynoic acid,112.0522,9.670998,1.27351118,1.402030368,0.967944526,1.354559928,1.127504214,1.317090207,1.242764519,-0.810763866,-1.017075258,-0.564637994,-0.85242632,-0.750995025,-0.799655413,-0.817925894
2605,C22 H26 O7,"6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one",402.168,9.925024,0.73749212,0.598498451,0.990738882,0.552871258,1.062412757,0.650993586,0.905900224,0.547054759,0.362272876,0.767496304,0.435890669,0.712116442,0.389360955,0.648725764
2606,C25 H42,"3Z,6Z,9Z,12Z,15Z-Pentacosapentaene Esi+11.53598",342.3245,11.53598,0.555581981,0.503618309,0.370192009,0.405514273,0.567487372,0.516718981,0.408391308,-0.320782246,-0.40811099,-0.216600587,-0.322777335,-0.322159008,-0.419535869,-0.257112148
2607,C37 H64 O12,C37 H64 O12 Esi+13.6899605,700.447,13.6899605,0.29422698,0.335442087,0.059821507,0.223171474,0.251266705,0.048706408,0.33476003,-0.20775015,-0.365786782,-0.019215222,-0.125174207,-0.334485018,-0.070289522,-0.296376081
2608,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide",350.3292,13.519027,1.608369172,1.759703914,1.419332378,1.585304781,1.649836195,1.952710849,1.537985953,-0.677598201,-0.82704849,-0.499306628,-0.679438652,-0.661900876,-0.792498222,-0.603517925
2609,C20 H47 N9 O6 P,C20 H47 N9 O6 P,540.3504,12.641035,1.891467626,2.041651601,1.719491052,2.153859103,1.595010107,1.851361724,1.99144168,1.216803275,1.341323135,1.068253267,1.343369628,1.026791302,1.227695037,1.209780955
2610,C11 H14 O5,Dihydrosinapic acid Esi+4.1770015,226.0814,4.1770015,1.253801708,1.301043506,1.001800735,1.176804336,1.289912655,1.377874806,1.061829513,1.191323705,1.246719664,1.125237297,1.156762765,1.224868591,1.39934187,1.05720673
2611,C46 H70 O18,Betavulgaroside X,910.4614,8.551019,0.587377657,0.69375784,0.385564681,0.503613725,0.628698737,0.651051285,0.524227471,-0.511316148,-0.559701165,-0.453593671,-0.561056217,-0.456418679,-0.616478166,-0.44351432
2612,C24 H28 O7,3-Isomangostin hydrate,428.1836,9.883031,0.691763119,0.890000071,0.395185724,0.738713478,0.660822692,1.122670078,0.390929491,-0.250755395,-0.340948678,-0.143156391,-0.281571758,-0.221663454,-0.409623903,-0.148327015
2613,C12 H6 Br4 O,Tetrabromodiphenyl ethers,481.7199,5.744008,1.571397735,1.559048466,1.45669685,1.421640336,1.677336018,1.619214849,1.513646227,1.215837937,1.279040045,1.140438932,1.078939365,1.421745458,1.288977774,1.16868199
2614,C40 H71 Cl2 N3 O2,C40 H71 Cl2 N3 O2,693.4737,13.773983,0.157765345,0.065283107,0.297029458,0.091444506,0.248347416,0.062820133,0.268464161,0.223416308,0.179196491,0.276169774,0.25103666,0.162677972,0.217060916,0.227513863
2615,C18 H19 N6 O21 P S,C18 H19 N6 O21 P S,718.0068,13.700984,0.252143121,0.356208247,0.045743099,0.250230197,0.07161755,0.136761223,0.197582964,-0.081122843,-0.132639619,-0.019664233,-0.080247532,-0.097810367,-0.064525216,-0.091823945
2616,C28 H29 N12 O22 P,C28 H29 N12 O22 P,916.1233,13.111022,0.219406629,0.250021472,0.025761865,0.209440768,0.028306696,0.093855607,0.181712259,-0.033803098,-0.089868539,0.033081989,-0.025587001,-0.063589761,0.004285623,-0.0583603
2617,C22 H23 N8 O24 P,C22 H23 N8 O24 P Esi+12.659977,814.0565,12.659977,0.089632607,0.006692384,0.33993959,0.006765798,0.28699021,0.107537283,0.18092137,0.12017763,0.079806942,0.168339152,0.126881651,0.090081638,0.152047553,0.099629916
2618,C30 H59 N7 O3 P,C30 H59 N7 O3 P,596.4413,16.076963,1.14977886,1.330243071,0.811048668,1.237008451,0.953231144,1.107460565,1.113809963,-0.86885068,-1.047168029,-0.65612121,-0.905328392,-0.81360216,-0.894507142,-0.852309013
2619,C22 H41 N O,Pipericine Esi+13.916014,335.3167,13.916014,1.658522377,1.780786553,1.44409223,1.559109149,1.745865416,1.737524177,1.635953528,-1.215505785,-1.442442145,-0.944774689,-1.146777194,-1.30942613,-1.32786688,-1.143062448
2620,C17 H36 N2 O2,C17 H36 N2 O2,300.2767,9.506004,0.40149484,0.446223688,0.159238113,0.275210011,0.38753705,0.532866008,0.22351777,-0.147872641,-0.190309189,-0.097246584,-0.10329123,-0.202144608,-0.235197795,-0.091570897
2621,C38 H74 N O9 P,PS(P-20:0/12:0) Esi+12.501971,718.4961,12.501971,0.260316819,0.292053779,0.133485038,0.311812019,0.17585396,0.154604211,0.248345089,-0.053556543,-0.073384731,-0.029901863,-0.019551452,-0.119583258,0.024544108,-0.10391091
2622,C41 H76 N2 O15,Roxithromycin Esi+14.687011,836.526,14.687011,0.733364317,0.79943949,0.527249073,0.766699732,0.587248204,0.632543346,0.672108256,-0.624827046,-0.796261742,-0.420308462,-0.588272033,-0.698250148,-0.597581212,-0.64239344
2623,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester,394.266,13.331037,1.783885767,1.915813745,1.618561704,1.7113141,1.876085393,1.785884545,1.84175232,-1.003503631,-1.113360702,-0.872446072,-0.941771819,-1.063202686,-0.989739225,-1.01237805
2624,C30 H26 O15,6''-Caffeoylhyperin,648.116,15.4939995,2.471513405,2.675835542,2.480823609,2.626114128,2.614814568,2.68502214,2.511585606,2.733332638,2.817330397,2.633124786,2.774886663,2.69692693,2.60181493,2.81812695
2625,C10 H20 O4,"(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol",204.1376,5.873007,0.614913039,0.515559524,0.727612505,0.556321601,0.55900343,0.790157411,0.505234619,0.343734479,0.305093021,0.389833061,0.370347836,0.29020472,0.494947186,0.246242076
2626,C16 H26 O6,Perilloside A,314.1722,9.631995,0.290893516,0.127455297,0.383985382,0.287461521,0.175022165,0.372509906,0.188853016,0.218876538,0.114358109,0.343565191,0.296588311,0.129740279,0.28433092,0.176675687
2627,<none>,<none> Esi+14.006035,842.0874,14.006035,0.41097292,0.499491088,0.069814645,0.46376898,0.129979835,0.303707009,0.328515155,-0.13474695,-0.205813965,-0.049965248,-0.137876402,-0.146217775,-0.098227784,-0.158292202
2628,C37 H64 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)",680.4304,9.089998,0.276381975,0.373061952,0.110383218,0.282647287,0.297304693,0.4769312,0.224037338,0.124609237,0.204594916,0.029187725,0.16030205,0.052037595,0.257064592,0.039210389
2629,C40 H80 N O11 P,PI-Cer(d18:0/16:0),803.5439,13.934022,0.276807943,0.025248535,0.719579761,0.409491528,0.192500099,0.311307191,0.28476186,0.358426896,0.150302308,0.606715877,0.451703948,0.213922408,0.343009856,0.368366829
2630,C26 H47 N O7 P,"PC(18:4(6Z,9Z,12Z,15Z)/0:0)",533.3399,5.74699,0.310320618,0.410452112,0.214956698,0.304787271,0.219460964,0.506170164,0.149842149,0.124603132,0.191291467,0.045045119,0.16195269,0.052046292,0.302978396,0.009598028
2631,C19 H O11 P S3,C19 H O11 P S3,531.8415,9.60899,0.542027373,0.685971294,0.309333267,0.460146517,0.545616392,0.677618234,0.468580919,0.236589998,0.345847601,0.106247595,0.23094823,0.221571233,0.339496456,0.170242414
2632,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0)",489.3047,12.278013,1.928174171,1.958795082,1.870649784,1.920924148,1.92746199,1.904523782,1.94645531,1.031573154,1.13698113,0.905823288,1.053391787,0.988123735,1.070539813,1.006449913
2633,C19 H38 O2,3-Methyl-3-butenyl tetradecanoate,315.3131,10.787019,0.371830964,0.453156241,0.067262875,0.414150761,0.172462036,0.340557273,0.304080462,-0.203884537,-0.286850304,-0.104907832,-0.254346218,-0.133049239,-0.207453719,-0.201583353
2634,C19 H46 Cl2 N8 O2,C19 H46 Cl2 N8 O2,488.3148,9.582011,0.045918848,0.084625713,0.044282797,0.168845193,0.036106753,0.191434331,0.041171822,0.012964887,0.092229794,-0.081596756,0.061522311,-0.091768842,0.154246512,-0.078124581
2635,C33 H56 O12,C33 H56 O12,644.3809,12.951987,0.272192238,0.237149494,0.148205598,0.228134069,0.283790554,0.009286015,0.325495469,-0.135004578,-0.224306587,-0.028468848,-0.023430764,-0.283930733,0.074679061,-0.270195345
2636,C22 H50 N7 O5 P,C22 H50 N7 O5 P,522.3185,13.225026,0.063596236,0.057790356,0.117925328,0.117051177,0.103001222,0.006100101,0.043823172,0.028291315,0.08074217,-0.034281634,0.052389399,-0.020254187,0.054745345,0.011235428
2637,C16 H29 N O5,Butoctamide hydrogen succinate,315.203,4.1309934,1.580004609,1.60932919,1.724365867,1.537532433,1.805915727,1.663136148,1.605101728,1.934813278,1.741707537,2.16518504,1.878455133,2.051235265,1.9247807,1.941281651
2638,C28 H47 N8 O3,C28 H47 N8 O3,543.3733,12.3259945,0.21115558,0.251338083,0.125978472,0.279116253,0.119951668,0.338712087,0.120680713,0.22371882,0.263407866,0.176370485,0.29367551,0.102879894,0.337572459,0.150313185
2639,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+7.126993",226.1188,7.126993,0.335637355,0.300146771,0.21545825,0.367286658,0.178207442,0.216697406,0.241430538,-0.300942912,-0.361111243,-0.22916315,-0.359472509,-0.176804779,-0.216790169,-0.355199287
2640,C34 H32 Fe N4 O4,Hemin,613.173,9.970973,0.231884222,0.183235598,0.265244041,0.301721073,0.175837474,0.433536259,0.106867082,0.431920779,0.447163879,0.413736028,0.471554206,0.323531167,0.600363019,0.323319861
2641,C30 H58 N18 O2,C30 H58 N18 O2 Esi+14.13402,700.5241,14.13402,0.115746403,0.189548105,0.023751559,0.144943738,0.000437426,0.005800769,0.100585202,-0.002092248,-0.02652672,0.027057649,-0.004900549,-0.01477747,0.088326563,-0.060388587
2642,<none>,<none> Esi+11.489012,749.0064,11.489012,0.362549783,0.296041793,0.456022672,0.357140353,0.321328616,0.442841039,0.348984533,0.228261237,0.234128635,0.221261533,0.261133439,0.150389231,0.305077756,0.178734797
2643,C27 H42 N2 O2,Cerdlan,425.3169,13.135988,1.283977764,1.448749121,0.995568345,1.37005247,1.273744876,1.339917956,1.31586532,-0.615899927,-0.728643649,-0.481398645,-0.621161126,-0.619363721,-0.642922233,-0.598477651
2644,C21 H41 N5 O12,Oxyapramycin,572.3065,0.87699926,1.938282379,1.910075547,1.956022244,1.752765239,2.011797124,1.846345718,1.945147954,1.764717395,1.658603657,1.891309222,1.559935597,2.035236207,1.625742167,1.854319845
2645,C16 H24 N O5,Sinapine,327.1889,4.9119906,0.282395278,0.486825186,0.037336992,0.166473894,0.31894621,0.270966586,0.316787536,-0.206932092,-0.323035656,-0.068422579,-0.195836453,-0.220971423,-0.254649992,-0.176166605
2646,C19 H29 F O3,9a-Fluoro-B-hydroxyandrosterone Esi+5.692994 :1,324.2146,5.692994,0.435875118,0.09824967,0.709242846,0.444848045,0.383299674,0.004442774,0.568494016,-0.279838447,-0.07277607,-0.526860231,-0.256006209,-0.308524816,-0.004394845,-0.457427086
2647,C15 H27 N5 O7,Glu Lys Asn,406.2171,5.2020144,0.400731033,0.691400107,0.001924464,0.519954575,0.128390898,0.676195595,0.16868537,0.159763887,0.313439296,-0.02356818,0.239827953,0.031731758,0.346487189,0.039376495
2648,C19 H22 N O25 P S,C19 H22 N O25 P S,726.9935,11.531987,0.048554289,0.012629025,0.231188801,0.020590744,0.233556957,0.261228273,0.017446262,0.058254343,0.036586139,0.08410413,0.056886892,0.034014556,0.158579448,-0.006428948
2649,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+15.139969",574.4586,15.139969,1.94491803,2.094941743,1.701306762,1.957602356,1.913557885,1.948556381,1.940692319,-2.262312461,-2.611129782,-1.846179516,-2.236972581,-2.261628981,-2.250531202,-2.269908272
2650,C13 H14 N2 O3 S,5-Amino-2-p-toluidinobenzenesulfonic acid,278.0768,5.8659997,0.760887667,0.690330759,0.884028572,1.001254477,0.50898312,0.739792984,0.718203045,0.840670772,0.834809606,0.84766304,0.967647126,0.634414673,0.923729947,0.787119462
2651,C30 H55 N O7 P,"PC(22:4(7Z,10Z,13Z,16Z)/0:0) Esi+7.431022",589.4031,7.431022,0.647190656,0.468119508,0.922342585,0.825500714,0.485223179,0.517398267,0.669029772,-0.307671128,-0.183182474,-0.456183909,-0.325035089,-0.305766525,-0.210277487,-0.370464397
2652,C27 H48 O9,"27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol Esi+12.383036 :1",516.3303,12.383036,0.469375562,0.290724189,0.631582906,0.339213183,0.524894445,0.420905005,0.492555787,0.650481099,0.484770103,0.848171411,0.648197658,0.643606516,0.664330545,0.641551851
2653,C26 H46 O6,27-Norcholestanehexol Esi+14.477034,454.329,14.477034,0.832850677,1.065089373,0.401368492,0.951061097,0.609623955,0.789377546,0.732569855,-0.489243342,-0.704357867,-0.232615487,-0.535421037,-0.416047426,-0.517723234,-0.470881306
2654,C13 H22 N6 O4,C13 H22 N6 O4 Esi+8.159027,326.1701,8.159027,0.63292616,0.345143999,0.844773701,0.355892639,0.89901402,0.199981985,0.856056333,0.485515874,0.385796566,0.604479259,0.238494483,0.868007764,0.137198001,0.710089239
2655,C22 H N2 O17 P,C22 H N2 O17 P Esi+13.361024,595.9019,13.361024,1.616748911,1.657450262,1.634260509,1.625204652,1.631018632,1.679536055,1.652847719,0.875041896,0.914681665,0.827752346,0.899549489,0.828136821,0.91937883,0.846456241
2656,C32 H72 N29 O S,C32 H72 N29 O S,910.6142,13.987042,1.332470767,1.28011256,1.438165557,1.287000353,1.332082718,1.430166934,1.303662243,0.908141415,0.936360115,0.874477,0.918836225,0.864165056,1.02502487,0.832782345
2657,C14 H31 N O,Xestoaminol C Esi+9.5040045,229.2399,9.5040045,1.700950413,1.707004535,1.661424045,1.588639231,1.952701422,1.590944595,1.793462862,0.590153018,0.597476186,0.581416606,0.515006162,0.706630388,0.524846617,0.63225846
2658,C23 H46,9-Tricosene Esi+13.1120405,339.3856,13.1120405,0.041474225,0.08049663,0.121669003,0.087646221,0.119868097,0.169581581,0.116138124,-0.140562739,-0.215171924,-0.05155529,-0.300480583,0.124584877,0.02402411,-0.246677944
2659,C21 H36 O9,"Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate",432.2357,9.270997,0.932195118,0.720503991,1.065384861,0.875070326,0.904193124,1.079009579,0.753638486,0.94278661,0.765821004,1.153903473,1.000878579,0.852702594,1.08973379,0.848044349
2660,C30 H42,"4,4'-Diaponeurosporene",424.3074,8.890005,0.052398856,0.012191939,0.076520776,0.118479868,0.132610724,0.041685515,0.041953502,-0.062311781,0.000913524,-0.137738462,-0.185390813,0.043514506,-0.134720873,-0.015626972
2661,<none>,<none> Esi+7.3959966,536.6691,7.3959966,0.35186953,0.206863846,0.27106064,0.021463985,0.60469941,0.254845879,0.311619035,0.207091,0.191510706,0.225678016,0.079347989,0.379114449,0.18727911,0.219864455
2662,C7 H23 N7 O P,C7 H23 N7 O P,252.1705,9.267003,1.262723817,1.329810036,1.326606088,1.158971119,1.59032446,1.375254575,1.309650359,0.991405203,0.881550503,1.122459934,0.827483978,1.244357803,0.854222659,1.079851843
2663,C40 H54 O3,"(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol",582.402,12.906005,1.041899857,1.223265883,0.743237739,0.975150835,1.040138163,1.158766601,0.965562367,-0.639461669,-0.741449111,-0.517792441,-0.543630686,-0.799940441,-0.715388003,-0.590509165
2664,C27 H44 N20 O S,C27 H44 N20 O S,696.371,12.520997,0.620106539,0.407396546,0.937298694,0.895891465,0.361044289,0.651623513,0.67633432,0.6541573,0.484862278,0.856123292,0.84719211,0.387677728,0.641235008,0.662488778
2665,C21 H44 O5,C21 H44 O5 Esi+14.217027,376.3173,14.217027,0.054677423,0.130098414,0.242382524,0.093046625,0.039321328,0.040330859,0.040420277,-0.027747686,-0.141553904,0.108021137,-0.049355264,-0.023852726,-0.046395741,-0.015724597
2666,C15 H22 N O4,Feruloylcholine Esi+4.8909936,279.1465,4.8909936,0.741182333,0.634517258,0.979178025,0.930838077,0.640817798,0.949868294,0.611001758,-0.481976786,-0.336796621,-0.655174176,-0.463021245,-0.512603015,-0.480063537,-0.483210329
2667,C26 H44 O9,Mupirocin Esi+11.292986,500.2984,11.292986,1.339640096,1.164074542,1.596740916,1.210675442,1.430197182,1.263951473,1.448655068,1.581388832,1.438572317,1.751766429,1.531785676,1.630647891,1.569474227,1.589070617
2668,C29 H57 N11 P,C29 H57 N11 P,590.4519,15.798031,0.968514481,1.009833697,0.90320555,0.954095215,0.953183059,0.932229841,0.919921087,-1.108677872,-1.221379853,-0.974226385,-1.092080364,-1.149141484,-1.041915492,-1.151722038
2669,C18 H2 N4 O20,C18 H2 N4 O20 Esi+13.3669615,593.9257,13.3669615,0.446893837,0.575327943,0.155619611,0.625635707,0.195764907,0.452479505,0.323957478,-0.134572023,-0.188952178,-0.069697452,-0.133163851,-0.148554481,-0.096860961,-0.158885734
2670,C25 H55 Cl N16 O,C25 H55 Cl N16 O,630.4424,12.81299,0.009355293,0.099183293,0.155925424,0.018017877,0.093587818,0.064897537,0.036242823,0.074000388,0.040864069,0.113531435,0.073284137,0.05238602,0.106849452,0.052821386
2671,C6 H10 Cl N5,Deethylatrazine,187.0607,2.6760032,0.15964026,0.012809485,0.314759321,0.109609525,0.127709716,0.062854411,0.228345892,-0.101305894,-0.054124076,-0.157592974,-0.107703218,-0.064988632,-0.070617548,-0.121091801
2672,C32 H58 N12 O4,C32 H58 N12 O4,674.4723,13.725028,1.353129643,1.414053101,1.082778464,1.301271612,1.299641422,1.492925051,1.243634995,-0.926911401,-1.198962254,-0.602359507,-0.934300429,-0.898455775,-1.027857988,-0.861827418
2673,C55 H75 N2 O9 P,C55 H75 N2 O9 P,938.5212,13.8830385,0.132489315,0.098637266,0.267171979,0.150973601,0.130730057,0.22547915,0.104609839,0.255126874,0.185213707,0.338532055,0.312768463,0.140257386,0.297755149,0.227642854
2674,C29 H56 N5 O11 S,C29 H56 N5 O11 S,682.3688,14.132021,1.139428522,1.017863558,1.432727392,1.154623361,1.196692252,1.438037024,1.049495466,1.063203492,0.976125089,1.167086498,1.125643925,0.988248116,1.156873177,1.002811194
2675,C37 H67 N O13,Erythromycin Esi+12.874019,750.495,12.874019,1.514281539,1.555718753,1.492150803,1.365237837,1.632518161,1.393507275,1.627307366,0.935919935,0.989305475,0.872231922,0.904734812,0.957124398,0.935042176,0.936485858
2676,C23 H36 O7,3'?-Isopravastatin,424.2443,10.947999,0.138241921,0.058792008,0.240919556,0.018470084,0.219533992,0.186130762,0.149308526,0.223738837,0.180895772,0.274849861,0.207083582,0.225983636,0.273931212,0.191377963
2677,C15 H22 N6 O5,Pro His Asn,383.1915,14.323979,1.779839981,1.902125775,1.364657206,1.743965194,1.669341789,1.75056307,1.702222729,-1.872628672,-2.114644765,-1.583907718,-1.87340043,-1.873705518,-2.022767097,-1.775828897
2678,C29 H50 N6 O4 S,C29 H50 N6 O4 S,576.3683,9.604003,0.699670992,0.875668253,0.386723668,0.658145935,0.603388643,0.89873324,0.527924893,0.480082409,0.675397296,0.247075176,0.514263605,0.403723419,0.719040863,0.32601709
2679,C35 H61 N O12,Oleandomycin Esi+14.3830385,687.4199,14.3830385,0.799380988,0.926269565,0.487987722,0.790466058,0.728407082,0.744665892,0.718058214,-0.499458771,-0.668038397,-0.298346234,-0.438330438,-0.601177481,-0.461706129,-0.52379929
2680,C24 H31 F O6,9alpha-Fluoro-6alpha-methylprednisolone 21-acetate,434.2126,5.7359953,0.535070161,0.304050434,0.824952695,0.31024202,0.861555154,0.31275356,0.677223728,-0.305610316,-0.151292149,-0.489709182,-0.156095743,-0.529535419,-0.141658644,-0.411316
2681,C11 H15 N5 O3,N6-Methyl-2'-deoxyadenosine,265.1201,7.2239995,0.845339079,0.735400997,0.879868828,0.814182466,0.715418971,0.790905367,0.80768918,0.767747977,0.74992728,0.789007757,0.826954468,0.668259514,0.799850574,0.747050251
2682,C25 H35 N3 O,Undecylprodigiosin,393.2819,10.624018,1.875201711,1.844167741,1.816951834,1.987623981,1.744681596,1.882548304,1.849021941,2.770773014,2.663391976,2.898876709,2.762653517,2.775324447,2.68778814,2.824276421
2683,C8 H13 N5 O,"6,7-Dimethyltetrahydropterin",212.1385,5.666993,1.414619784,1.435132526,1.562237412,1.359897202,1.687752899,1.436475738,1.531226963,1.236067048,1.063456384,1.441988541,1.127510105,1.415885734,1.127001906,1.306385363
2684,C18 H38 O4,C18 H38 O4,318.2768,14.040025,1.457912108,1.437957269,1.307996795,1.372319113,1.398619838,1.522527775,1.310147543,-0.704602747,-0.72404189,-0.68141219,-0.695987008,-0.712211157,-0.748690687,-0.676177628
2685,C33 H49 N5 O6,Zizyphine A,628.3911,12.297038,1.458486081,1.471862578,1.344698038,1.417602376,1.320133936,1.393837068,1.432241523,0.729390027,0.780594614,0.668303854,0.740905311,0.695849099,0.736748209,0.724645937
2686,C21 H38 O7,Erythronolide B Esi+12.600004,402.2621,12.600004,2.255808856,2.165680555,2.585828862,2.249375525,2.537167383,2.17460839,2.443062222,2.622448975,2.188410321,3.140249475,2.395823848,2.959390227,2.252231025,2.861142127
2687,C12 Cl10,Decachlorobiphenyl,515.675,12.366964,1.737855907,1.71047834,1.837223689,1.719577512,1.828929918,1.728760424,1.824913593,0.923784551,0.956074177,0.885263595,0.937562549,0.884233178,0.94567857,0.909668671
2688,C31 H55 N11 P,C31 H55 N11 P,612.4372,15.12402,1.239273026,1.385703244,0.976128948,1.26640113,1.109631484,1.283015475,1.141677917,-1.002225663,-1.235312325,-0.724157366,-0.988523501,-1.025732029,-1.07847629,-0.953064075
2689,C28 H51 N O7 P,"LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+12.10203",543.3326,12.10203,1.649484785,1.65022961,1.607857575,1.683817281,1.49276905,1.484609716,1.688438533,-2.471133521,-2.625856877,-2.286551272,-2.677157332,-2.203803884,-2.542567104,-2.425077659
2690,<none>,<none> Esi+9.146979,502.8206,9.146979,0.133952876,0.143156533,0.037575261,0.068962483,0.411160259,0.124289175,0.275608486,-0.132708811,-0.054449161,-0.2260712,-0.314944808,0.092946531,-0.276937267,-0.039719411
2691,C22 H45 N O3,C22 H45 N O3 Esi+12.611019 :1,370.3382,12.611019,0.521831989,0.933036436,0.099761321,0.580993871,0.308129302,0.613839925,0.38306686,-0.198498003,-0.543565915,0.213161961,-0.260153661,-0.117223813,-0.343840924,-0.104790068
2692,C27 H41 N12 P,C27 H41 N12 P,564.3376,12.923023,0.63015293,0.348785743,1.114371588,0.651772967,0.740407519,0.467085477,0.863677003,0.41365478,0.264691674,0.591365152,0.414616432,0.400436505,0.312347394,0.478971385
2693,C26 H51 N O8 P,PC(16:1(9Z)/2:0),553.368,11.9750185,1.760459426,1.712899542,1.777466589,1.783106278,1.648000155,1.699202618,1.763101168,1.305100362,1.362125641,1.237070204,1.367489304,1.188596945,1.363445814,1.267482899
2694,C7 H9 N3 O,Phenicarbazide,162.0676,8.501981,0.125674672,0.290511012,0.098900455,0.313179293,0.237486663,0.648598205,0.227623932,-0.08223954,-0.121520381,-0.035378186,-0.213096448,0.117116574,-0.267600094,0.037269238
2695,C20 H2 O14 P S2,C20 H2 O14 P S2,560.8627,10.892997,1.482361918,1.439347265,1.483084137,1.414825842,1.456912482,1.40255545,1.524556533,0.818940581,0.849958924,0.781936242,0.827716047,0.776123595,0.845278714,0.801959417
2696,C46 H80 N2 O13,Tilmicosin Esi+12.470966,868.5723,12.470966,0.952627925,0.912242683,1.065647006,0.947555538,0.88032101,1.058587081,0.932642321,0.600728054,0.61916873,0.578728651,0.647135243,0.506060743,0.723087905,0.52183815
2697,C12 H16 O6,Phenyl beta-D-glucopyranoside,256.0935,4.5369906,0.316176287,0.265214454,0.259497206,0.253465534,0.308924515,0.143890758,0.384392557,0.24853078,0.202535485,0.303402362,0.278776768,0.237496007,0.128909984,0.325654715
2698,C27 H55 N8 O6,C27 H55 N8 O6 Esi+10.149001 :1,587.4239,10.149001,0.060256927,0.097882717,0.019738836,0.080581755,0.070629384,0.187836657,0.092945094,0.044699168,0.108140129,-0.030984785,0.087439095,-0.031181738,0.136133475,-0.014251899
2699,C50 H76 N16 O4 P,C50 H76 N16 O4 P,995.5964,13.862042,0.339948098,0.666203608,0.400595086,0.154002593,0.360469125,0.38445004,0.217516129,-0.075033451,-0.250674983,0.134503815,-0.009304586,-0.163217082,-0.128129707,-0.040800339
2700,C21 H53 Cl N11 O4,C21 H53 Cl N11 O4,558.3901,15.089046,1.055089821,1.064742795,0.9167333,0.964283804,1.040036447,0.991540488,0.979755679,-0.968741676,-1.075576454,-0.841289661,-0.888141013,-1.095488317,-0.946678402,-0.982966682
2701,C19 H26 O6,Millefin,350.1702,9.245986,0.802205767,0.794138021,0.60361736,0.834222334,0.619615727,0.601197574,0.799308411,-0.5971307,-0.696803771,-0.478222474,-0.585947104,-0.626264095,-0.547504066,-0.629126819
2702,C41 H66 O14,Dihydrodigoxin Esi+13.382017,782.4426,13.382017,1.624527887,1.526857818,1.622863444,1.539254424,1.674833528,1.606262944,1.627157516,1.963514698,1.855417759,2.092472449,1.910826315,2.014517767,1.923152127,1.989537934
2703,C38 H63 Cl N2 O2,C38 H63 Cl N2 O2,614.4518,15.125,1.00855115,1.103145352,0.689081163,0.947894035,0.890000193,0.878070613,0.944051991,-0.857162119,-1.113917255,-0.550857747,-0.853173663,-0.864835994,-0.913739134,-0.820684834
2704,C16 H25 N O,1-(5-Methyl-3-pyridinyl)-1-decanone,264.2199,9.818996,1.047046742,1.355731869,0.5257459,1.226122104,0.909268135,1.29498251,0.791013363,-0.312695016,-0.435578795,-0.166096824,-0.325844779,-0.288093552,-0.390132703,-0.262768087
2705,C21 H26 O4,Acitretin Ro 23-4750,342.1795,9.358993,0.581304306,0.725425695,0.22698445,0.567708779,0.46330433,0.738669714,0.417548398,-0.325863089,-0.4912221,-0.12859269,-0.40072268,-0.237441095,-0.387264783,-0.286275155
2706,<none>,<none> Esi+9.112033,436.7816,9.112033,0.062065594,0.12696561,0.082368643,0.119721272,0.31483969,0.152635292,0.17303366,-0.16130442,-0.037537324,-0.308956394,-0.327436543,0.0425425,-0.239247454,-0.111051674
2707,C30 H44 O10,Musaroside,564.2912,13.106996,0.946852081,0.784018556,1.269423737,0.940868309,0.97584539,0.976195196,0.991734076,0.901992668,0.726499526,1.111352908,0.942098604,0.85595863,0.832613582,0.946723921
2708,C15 H25 N O4,Supinine,283.1776,5.7889833,0.725602689,0.415680582,0.927633099,0.365745044,1.058287773,0.075763442,0.968992948,0.563140318,0.485363611,0.655926565,0.484590391,0.675806119,0.310162889,0.726244186
2709,C11 H22 N6 O4,Gamma-glutamyl-Arginine,302.1703,5.4479985,0.365196843,0.162652307,0.628190668,0.34729314,0.516173188,0.332867888,0.397242272,-0.207662566,-0.083952293,-0.35524675,-0.148587748,-0.311251337,-0.128923923,-0.258428269
2710,C33 H61 N5 O9,Pepsinostreptin,670.4414,12.178972,1.932742756,1.888343433,2.030569182,1.901051608,2.030542283,1.930103811,2.027327093,1.33565103,1.355135968,1.312405841,1.342059658,1.29879512,1.397004684,1.296094069
2711,<none>,<none> Esi+9.618995,487.8155,9.618995,0.547323337,0.742437843,0.196694909,0.474504088,0.496134925,0.714694868,0.426418629,0.242532762,0.376711653,0.0824597,0.247412317,0.209724686,0.373246434,0.158256842
2712,C29 H46 N10,C29 H46 N10,532.373,15.201968,1.000187932,1.14282055,0.781514776,0.966088653,0.993148603,0.940360389,0.934468715,-0.668173796,-0.754269076,-0.565463638,-0.589776575,-0.799953182,-0.621579397,-0.698214922
2713,C30 H59 N7 O4 P,C30 H59 N7 O4 P,612.4209,14.774968,0.126407254,0.361572051,0.142383404,0.247438992,0.063060145,0.210218458,0.057453125,-0.03738631,-0.226924825,0.188729813,-0.085287394,0.025526674,-0.111255455,0.010239849
2714,C20 O19 P,C20 O19 P Esi+11.955011,574.8784,11.955011,1.684253815,1.579600117,1.781457336,1.636101118,1.613494248,1.587407607,1.757133327,1.007813139,1.02247862,0.990317478,1.033241067,0.946490186,1.007145028,1.008243895
2715,C18 H22 O10,Picraquassioside A Esi+5.875,398.1224,5.875,0.002148451,0.168066777,0.314343102,0.330111758,0.491941917,0.163017653,0.262995052,-0.210183159,-0.038877752,-0.414547505,0.029482479,-0.5600118,-0.046602242,-0.315649803
2716,C28 H50 O8,C28 H50 O8 Esi+14.280025,514.3533,14.280025,0.083260812,0.218820606,0.381571655,0.026731572,0.080557677,0.015056988,0.127167233,0.440352415,0.186831999,0.742797824,0.499872082,0.371713279,0.408911964,0.460623232
2717,<none>,<none> Esi+9.12698,458.7944,9.12698,0.077569959,0.126714479,0.064819437,0.130894881,0.34778626,0.192742478,0.214971618,-0.120920358,-0.017445236,-0.244364362,-0.294421891,0.095473595,-0.251404753,-0.036792261
2718,C18 H24 N4 O2,Granisetron metabolite 3 Esi+8.836029,328.1879,8.836029,0.222378155,0.214420685,0.225125254,0.328378139,0.161958096,0.01901882,0.386634887,-0.207895985,-0.192970861,-0.225701396,-0.218016604,-0.226342558,-0.011489206,-0.334526672
2719,C16 H32 N6 O5,Lys Lys Asn Esi+10.308012,388.2459,10.308012,0.253467192,0.236857795,0.166282664,0.185420476,0.217217334,0.061437374,0.270040943,-0.130963178,-0.145389475,-0.113752859,0.001604327,-0.324662611,0.036813454,-0.239134954
2720,C33 H50 O4,"2?-(benzyloxy)-1?,25-dihydroxy-19-norvitamin D3 / 2?-(benzyloxy)-1?,25-dihydroxy-19-norcholecalciferol",527.4026,11.892021,0.000493148,0.036263502,0.156744297,0.026428582,0.08540304,0.164103851,0.011674127,0.03887924,0.028015006,0.05184008,0.069493452,-0.028584236,0.139748785,-0.026155072
2721,C30 H61 N7 O4 P,C30 H61 N7 O4 P Esi+16.245052,614.4594,16.245052,0.215235175,0.430091004,0.20987678,0.181722391,0.14634267,0.159318822,0.156081611,-0.05878977,-0.225806729,0.140458532,-0.036065588,-0.102620578,-0.069612403,-0.05181202
2722,C31 H44 O3,"1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorcholecalciferol Esi+10.512963",463.3252,10.512963,0.311468948,0.336321117,0.217026802,0.405602967,0.128514382,0.219518717,0.264378476,-0.140892326,-0.144560091,-0.136516746,-0.141014068,-0.159117766,-0.07491989,-0.183427186
2723,C24 H31 N3 O4,Phe Phe Ile,442.2557,9.54701,0.508211251,0.433588101,0.441244418,0.472330127,0.372766183,0.608118695,0.404862659,0.384595216,0.377681671,0.392842954,0.430023618,0.306760968,0.518995598,0.297942338
2724,C40 H50 O3,Anhydroamarouciaxanthin B,595.4029,9.6,0.904939294,0.837361908,0.925734665,1.126230501,0.604119637,0.812655238,0.866561956,-0.507075864,-0.470781922,-0.550373901,-0.538885908,-0.482898176,-0.384424512,-0.586153709
2725,C46 H76 N6 O14,C46 H76 N6 O14,936.542,14.191965,0.363134003,0.537298389,0.022869311,0.321789854,0.326508312,0.235987794,0.375471379,-0.194139143,-0.40557963,0.05810565,-0.146325057,-0.278439458,-0.160376067,-0.215907441
2726,C17 H36 N13 O S,C17 H36 N13 O S,470.2877,12.00602,0.189779423,0.363909933,0.087875935,0.148290715,0.245840508,0.057262836,0.259295829,-0.089949496,-0.278603397,0.135111299,-0.044466799,-0.160030735,-0.080400737,-0.096105932
2727,C12 H20 O5,"Polyethylene, oxidized Esi+6.339996",244.1308,6.339996,0.165391445,0.329816099,0.119933214,0.166377798,0.206536864,0.506671455,0.074142742,0.208403936,0.194449126,0.22505178,0.221314782,0.179578919,0.331030305,0.129342198
2728,C10 H14 O4,Guaifenesin Esi+4.744008,198.089,4.744008,0.500559079,0.736337864,0.024157684,0.604836614,0.316190643,0.465589236,0.443756973,-0.364756593,-0.591965812,-0.093699981,-0.382699273,-0.332273223,-0.35116453,-0.373519896
2729,C12 H18 O6,"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone",275.1365,1.6719979,1.134382362,1.360929173,0.814135483,1.043581923,1.192538902,1.344584385,1.036215588,0.672651673,0.890234189,0.413079548,0.650812248,0.720067006,0.757119905,0.618191892
2730,<none>,<none> Esi+8.676019,451.7869,8.676019,0.014225029,0.087125129,0.156563264,0.148252286,0.238981514,0.093924874,0.057981505,-0.049058866,0.046024849,-0.162492071,-0.143069529,0.06363005,-0.055548562,-0.044874721
2731,C10 H2 Cl2 N2 O11 P S5,C10 H2 Cl2 N2 O11 P S5,586.74,13.229003,0.053663853,0.055891873,0.403956922,0.010807858,0.320744679,0.118386611,0.13750403,0.068729457,0.020198889,0.126625574,0.055525986,0.074181362,0.074216089,0.065192024
2732,<none>,<none> Esi+12.726015,533.7047,12.726015,0.106418211,0.210189673,0.223140152,0.203011561,0.108165153,0.08320804,0.014989568,0.010049105,-0.041415037,0.071444924,0.00824803,-0.002107998,0.020522101,0.003296779
2733,C37 H66 O7 S,"2-(9R-(5Z,9Z-tetracosadienoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+10.42099",653.4438,10.42099,0.969671276,0.926026574,1.068665019,1.174762549,0.712058469,0.835370776,1.00100114,-0.547476782,-0.514795683,-0.58646476,-0.598073884,-0.508922037,-0.42524489,-0.626284186
2734,C18 H32 N2 O,C18 H32 N2 O,292.2514,11.110019,1.098379839,1.41734719,0.657122702,1.219822714,1.065055321,1.320348768,0.958497395,-0.359304259,-0.495172986,-0.197215252,-0.349020255,-0.363965027,-0.438638146,-0.308154779
2735,C25 H52 N O6 P,PE(P-20:0/0:0),515.3298,7.435025,0.963930644,0.78550263,1.258648007,1.090121345,0.885615895,0.865112507,0.983806634,-0.605351496,-0.407304308,-0.841618317,-0.598755865,-0.635245785,-0.417441064,-0.726504275
2736,C25 H37 N O2,UCM707,383.2875,8.703992,0.797628746,0.7813581,0.575173242,0.857062638,0.505536166,0.784114665,0.637690933,-0.438879861,-0.414738078,-0.467680585,-0.457899409,-0.43193097,-0.416784299,-0.453125684
2737,C27 H28 O14,Chamaemeloside,576.1491,14.576969,0.84631711,0.711990698,1.084596921,0.950351854,0.809814212,0.873594005,0.8774109,0.543493893,0.523598809,0.567228379,0.567510318,0.496170135,0.489422701,0.578355582
2738,C34 H70 N6 O2 P S,C34 H70 N6 O2 P S,657.5017,14.391045,1.169054522,1.288120842,0.79924914,1.128222569,1.067789748,1.256456179,1.037155208,-0.552025551,-0.714312311,-0.358420294,-0.524314837,-0.593540844,-0.603426496,-0.518885469
2739,C43 H74 N2 O14,Spiramycin 1,842.5203,8.655022,0.530916548,0.737757245,0.151850839,0.558037634,0.279381884,0.864790344,0.248726003,0.258572681,0.406945917,0.081566012,0.342824398,0.109853571,0.493293034,0.107239821
2740,C10 H20 N6 O4,Asparaginyl-Arginine Esi+4.899,288.1523,4.899,0.32674463,0.127609349,0.458560583,0.297761463,0.225759049,0.497241759,0.199473592,-0.554683019,-0.316749762,-0.83853322,-0.564130876,-0.478166232,-0.633497868,-0.503868182
2741,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+9.5560055,661.4568,9.5560055,0.317743211,0.26549982,0.31664205,0.389051891,0.141458483,0.07745013,0.334112362,-0.251543166,-0.165210208,-0.354536869,-0.246641017,-0.289067625,-0.069880749,-0.368667618
2742,C22 H52 N9 O18,C22 H52 N9 O18,730.3428,6.6510005,0.202973629,0.307853942,0.185290289,0.380050543,0.12006392,0.293946064,0.069785339,0.076296906,0.290342795,-0.179056085,0.14490216,-0.028527851,0.17347549,0.013642292
2743,C13 H N O20 P S,C13 H N O20 P S,553.8545,9.604003,0.468702975,0.690248475,0.161805998,0.383755189,0.462971717,0.6234432,0.368289537,0.232418508,0.370006936,0.068277927,0.241689716,0.197109701,0.36308859,0.148170692
2744,C20 H34 O8,Acetyl tributyl citrate Esi+9.827003,402.2239,9.827003,0.351855145,0.253610292,0.435410198,0.206830619,0.418926902,0.131808919,0.533506847,0.318209448,0.206593049,0.451365853,0.209954428,0.445857685,0.111128558,0.451722127
2745,C40 H70 N O10 P,"PS(12:0/22:4(7Z,10Z,13Z,16Z)) Esi+8.561012",377.2336,8.561012,0.482574137,0.679959851,0.137452023,0.455685539,0.319499215,0.725555137,0.270946547,0.217177541,0.354083201,0.053851489,0.261060859,0.130275366,0.394115043,0.103099414
2746,C35 H53 N O3,"11?-(4-dimethylaminophenyl)-1?,25-dihydroxyvitamin D3 / 11?-(4-dimethylaminophenyl)-1?,25-dihydroxycholecalciferol",557.3895,13.358983,0.890561449,0.93136836,0.707714745,0.757779356,0.937197656,0.715518334,0.907419674,0.988064012,1.172104743,0.768506649,0.917684889,1.061054079,0.975964399,0.995865079
2747,C25 H51 N8 O2,C25 H51 N8 O2,495.413,14.968995,0.950805857,1.017142643,0.684255324,0.830323846,0.938598099,0.976173128,0.858396452,-0.622268804,-0.749395363,-0.470609049,-0.595062154,-0.664827233,-0.656398864,-0.600263897
2748,C23 H55 N18 O3 P,C23 H55 N18 O3 P,662.4518,14.391044,0.038770948,0.001345995,0.004269189,0.028686792,0.082038525,0.14413379,0.069977506,0.187310911,0.181627328,0.194091326,0.235964276,0.103724376,0.287402847,0.122777952
2749,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+10.498024,452.1633,10.498024,0.408492394,0.357366768,0.583553125,0.655886186,0.260333461,0.32945064,0.531755881,0.216121364,0.185759082,0.252343035,0.239286936,0.176774926,0.120624585,0.277691656
2750,C35 H54 N13 O7,C35 H54 N13 O7,768.4275,13.235027,2.003548585,1.792290965,2.206694776,1.983955163,2.068665496,1.974546099,2.063233638,2.052947257,1.812798099,2.339440988,1.991904481,2.122213796,1.912777819,2.143319657
2751,C30 H56 O6,C30 H56 O6,512.4078,15.200979,1.142724318,1.31483026,0.923845372,1.147362169,1.11984656,1.139580351,1.088298098,-0.888855961,-1.061622539,-0.682748464,-0.824662112,-0.999651785,-0.858040979,-0.908723515
2752,C17 H47 N14 O6,C17 H47 N14 O6 Esi+11.465999,543.3792,11.465999,0.119914176,0.256890134,0.174814179,0.268017668,0.087844879,0.098958482,0.03778208,-0.013605478,-0.078319742,0.063597503,-0.027442345,-0.017745908,0.019473845,-0.034932937
2753,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.389962,525.5116,14.389962,1.470455186,1.605265685,1.117156049,1.577280531,1.198511367,1.467520398,1.381155575,-2.151198095,-2.526271477,-1.70374213,-2.304225655,-1.924027241,-2.323880219,-2.039863568
2754,<none>,<none> Esi+12.150962,851.0746,12.150962,0.281552392,0.136258344,0.4874347,0.275163643,0.302018366,0.293925654,0.318921102,0.212932391,0.158280793,0.278130788,0.219080998,0.177133526,0.238989912,0.196132147
2755,C37 H64 O13,Evasterioside E,715.4301,13.138978,0.490370238,0.884924651,0.316603553,0.468231716,0.31464035,0.642297541,0.319574819,-0.148568645,-0.347008526,0.088166651,-0.155616812,-0.129677556,-0.251591811,-0.082145815
2756,C22 H27 N O7,Tirandamycin,434.2049,12.433021,1.078342963,1.163670232,0.854295136,0.99441694,1.114314279,0.936602349,1.113512038,-0.63579828,-0.682249429,-0.580382873,-0.552960148,-0.732711312,-0.484489794,-0.733352435
2757,C37 H72 N O8 P,PE(14:0/18:1(11Z)),688.4874,15.437989,0.78535189,0.764163258,0.664526388,0.917080914,0.543399191,0.951257301,0.578194991,-0.511580392,-0.448899564,-0.586357519,-0.50008758,-0.532180299,-0.590083305,-0.460966671
2758,C22 H31 N5 O6,Glu Trp Lys,478.2543,13.06201,0.637867115,0.835660565,0.174728536,0.623840319,0.503607708,0.590202809,0.525136334,-0.283354533,-0.420548986,-0.119683956,-0.275687927,-0.296533476,-0.302332156,-0.27111896
2759,C12 H20 N6 O4,C12 H20 N6 O4 Esi+6.287994 :1,312.1549,6.287994,1.802732754,1.620251114,1.788042299,1.568768579,1.880257014,1.644662626,1.780351638,1.641686589,1.611231586,1.678018874,1.537134698,1.768507828,1.694048737,1.607926783
2760,C20 H28 O5,Novaxenicins A,370.1772,9.286,2.455659255,2.289220055,2.598622326,2.364416995,2.626087542,2.302359505,2.554198839,3.199464297,2.939582643,3.509498551,2.910114975,3.586855268,2.887352996,3.400693952
2761,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.93701 :1",414.2249,9.93701,0.162191703,0.329810738,0.062842644,0.290660002,0.112368639,0.175671981,0.159280424,-0.087271683,-0.26394868,0.123500874,-0.069368841,-0.127347285,-0.097606423,-0.080608496
2762,C6 H13 N O2,C6 H13 N O2 Esi+0.87899864,129.0786,0.87899864,0.325042153,0.360353642,0.092365534,0.258749172,0.234889669,0.233568537,0.234022722,-0.149705947,-0.227338606,-0.057091547,-0.135296459,-0.182681399,-0.167157259,-0.138454443
2763,C16 H29 N O3,Tumonoic Acid D,283.2134,11.469976,0.485907082,0.327700632,0.721270484,0.472803437,0.562824585,0.38747015,0.671744136,0.461672849,0.325955134,0.623581701,0.500669198,0.428158156,0.344574668,0.53717036
2764,C13 H24 N6 O2,C13 H24 N6 O2,296.1918,4.5710006,0.24948021,0.032884218,0.395198233,0.295050026,0.089156513,0.271940307,0.182833427,-0.105722917,0.016259892,-0.251246267,-0.062328232,-0.130826831,-0.076951308,-0.124273033
2765,C50 H89 D5 O6,TG(15:0/17:1(9Z)/15:0) Esi+5.8709826,397.8715,5.8709826,0.451777809,0.832071199,0.206233781,0.744919707,0.068886843,0.823012636,0.167703903,0.203897427,0.461540234,-0.103465923,0.286933612,0.08050777,0.384974375,0.087150447
2766,<none>,<none> Esi+13.868965,886.1133,13.868965,0.334018925,0.344073212,0.118057689,0.331978465,0.085532928,0.131140146,0.317881822,-0.091438779,-0.133024114,-0.041828205,-0.081787017,-0.124715556,-0.014312689,-0.141164811
2767,C45 H86 N9 O12 P,C45 H86 N9 O12 P,975.6127,14.24803,1.007422924,1.113784745,0.692694606,1.020998879,0.868689013,0.963322854,0.93988788,-0.981184204,-1.218268527,-0.698346767,-0.969698953,-1.016462479,-1.029222147,-0.950212372
2768,C12 H20 O2,"Isopropyl 2,4-dimethyl-2E,4E-heptadienoate",213.1724,8.345976,0.844500609,1.169705173,0.469976148,0.88124838,0.793732238,1.211543003,0.738030299,-0.587678421,-0.749105501,-0.395098748,-0.613035615,-0.541140746,-0.737055225,-0.491369692
2769,C23 H40 O7,1(3)-glyceryl-PGF2?,428.2769,11.274988,1.131901598,1.015534186,1.329349058,0.958600729,1.352269212,1.174852745,1.141624756,1.13666703,1.031951963,1.261590268,1.068936117,1.224985525,1.186952846,1.104245912
2770,C9 H16 O4,Butyl ethyl malonate Esi+6.3509893,188.1046,6.3509893,0.99271966,1.156929147,0.844165288,1.093563598,0.924260448,1.101893054,0.967282685,-0.722295968,-0.866609225,-0.550132784,-0.740222653,-0.683849485,-0.856041192,-0.636065494
2771,C30 H38 O4,Helilupolone Esi+7.1390114,462.2803,7.1390114,0.380489864,0.685516872,0.098409763,0.402968353,0.155905505,0.639406379,0.158265709,0.138524141,0.305724072,-0.060942444,0.192258602,0.041050191,0.307304871,0.029704986
2772,C12 H19 N8 O,C12 H19 N8 O,290.1656,8.8160095,0.466138313,0.569238876,0.216436636,0.536563937,0.212458674,0.444947132,0.390270283,-0.361752283,-0.456508757,-0.248709471,-0.391320641,-0.277220554,-0.411567427,-0.329634624
2773,C23 H39 N3 O8,Sarcodon scabrosus Depsipeptide,484.2654,4.6770015,0.494303183,0.511719548,0.376549784,0.739831359,0.230036167,0.754309486,0.313449676,0.415123304,0.534281115,0.272970127,0.600355076,0.13773671,0.68350252,0.242089337
2774,C13 H19 Cl N2 O2,Chloroprocaine,270.11,5.3520064,0.772740907,0.615404864,1.146273209,0.727723203,0.815228352,0.6674675,0.905485603,0.363396267,0.29495751,0.445042504,0.356680256,0.359864123,0.372416778,0.357580412
2775,C36 H64 Cl N10 O2,C36 H64 Cl N10 O2,703.4897,12.983963,0.476554608,0.587467435,0.16731401,0.625354955,0.176451948,0.469493989,0.316813879,-0.164493817,-0.229910488,-0.086452875,-0.173333255,-0.167130365,-0.153260183,-0.171736555
2776,C18 H30 O4,Auxin b Esi+11.70402,310.2152,11.70402,1.011988399,0.985189095,1.037046331,0.992215527,0.993424143,0.921157691,1.04529735,0.611487579,0.622734593,0.598070089,0.634619477,0.553129963,0.594896809,0.62218426
2777,C21 H35 N O4,C21 H35 N O4,365.2436,9.447016,0.389046447,0.460485848,0.21122026,0.540587829,0.183877715,0.398842506,0.31399531,-0.183148654,-0.218110921,-0.141439282,-0.230999999,-0.134461202,-0.224145911,-0.156716212
2778,C18 H36 N6 O5,C18 H36 N6 O5,416.2795,10.340991,0.049003967,0.041580567,0.045891665,0.114170456,0.066366572,0.228918243,0.015044259,0.089866322,0.101201626,0.076343505,0.165305692,-0.033002626,0.26049446,-0.020143924
2779,C22 H38 O7,Ascorbyl Palmitate,414.2608,10.718995,1.246593679,1.224681868,1.404904118,1.349334198,1.17618186,1.439688912,1.194424751,0.925994778,0.922672466,0.929958238,0.989775265,0.814182415,1.06317235,0.837551344
2780,C17 H43 N6 O8 S,C17 H43 N6 O8 S,491.2855,6.5560203,1.514159112,1.492591747,1.556799969,1.413757735,1.655062404,1.501317212,1.486990747,1.288388934,1.060333419,1.560455164,1.080148265,1.569193865,1.045177188,1.445196508
2781,C11 H23 N O7 P,PC(0:0/3:1(2E)),289.1536,5.0190024,0.004168593,8.58E-05,0.087812141,0.005288604,0.009847997,0.07569616,0.003537408,-0.360673356,-0.281650622,-0.454946092,-0.392176938,-0.308184808,-0.420066532,-0.322380388
2782,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+5.444992,170.0911,5.444992,0.22460739,0.412505715,0.03174065,0.333700004,0.163280856,0.224706074,0.187928234,-0.081651094,-0.231989308,0.097699757,-0.08432259,-0.081103005,-0.096265009,-0.072228965
2783,C9 H18 Cl3 O4 P,C9 H18 Cl3 O4 P,326.0006,10.43701,1.029608377,1.3807701,0.655253437,1.248525898,0.875496694,1.322126061,0.881287659,-0.300857471,-0.405246045,-0.176323735,-0.329637251,-0.261872786,-0.356466086,-0.265004548
2784,C49 H76 O16,Hebevinoside XIII,920.516,6.474989,1.210595015,1.219478676,1.306983122,1.130021177,1.423504304,1.203957177,1.242213719,0.900444191,0.663354848,1.183287618,0.6798441,1.196351263,0.648232536,1.063054337
2785,C42 H77 N O8 P,"PC(14:0/20:4(5Z,8Z,11Z,14Z))[U]",753.532,14.333986,0.720565173,0.829562675,0.429233478,0.798008968,0.435998733,0.677424618,0.692433527,-0.273167285,-0.365216503,-0.163354182,-0.258365405,-0.296666956,-0.245388765,-0.29107712
2786,C36 H64 N17 O2 P,C36 H64 N17 O2 P,797.5185,11.282977,1.025624787,0.887830977,1.082621994,1.00109771,0.865097669,1.018315288,0.952215871,0.59259311,0.574929529,0.613665452,0.626577491,0.516033081,0.669604864,0.542940795
2787,C18 H19 N O26 P,C18 H19 N O26 P Esi+13.773982,695.9935,13.773982,0.036373023,0.036407576,0.170565345,0.082501715,0.032852613,0.196657668,0.011597173,0.087039218,0.076014703,0.100191271,0.13146463,0.00784205,0.169038193,0.034171458
2788,C19 H47 N7 O7,C19 H47 N7 O7 Esi+9.566994,483.3548,9.566994,0.094774054,0.078215578,0.050581303,0.118444191,0.092060454,0.011583092,0.121071119,-0.035516525,0.044348027,-0.130793534,-0.051851242,-0.035517215,0.092267334,-0.117903487
2789,C48 H82 O17,Vinaginsenoside R3,947.5825,14.000981,0.739912518,0.796971832,0.49748466,0.670691075,0.716529144,0.597423413,0.742402494,-0.570029849,-0.723408183,-0.387052188,-0.481872782,-0.716883313,-0.472384306,-0.632985528
2790,<none>,<none> Esi+11.8999815,413.779,11.8999815,1.372330537,1.382185507,1.427378015,1.417336967,1.329568181,1.52551882,1.330457308,0.659204742,0.663026166,0.65464585,0.66758605,0.622418277,0.741744783,0.605988136
2791,C36 H54 O12,Medicagenic acid 3-O-b-D-glucuronide,678.3595,14.166993,1.275081712,1.033702357,1.669518672,1.326096974,1.302757215,1.19381189,1.32942158,0.950012663,0.780096804,1.152719303,0.939323949,0.960824608,0.855807129,1.010750442
2792,C13 H26 N6 O5,Thr Ala Arg,346.1975,5.6939807,0.140916735,0.148994578,0.537868755,0.0376407,0.297250456,0.15844182,0.309276538,-0.092021861,0.073900469,-0.28996429,-0.002349249,-0.225979485,0.087782205,-0.207948167
2793,C49 H78 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",838.5475,12.607976,0.93062178,0.81870437,1.122552531,0.972264562,0.849791501,1.045207475,0.88241176,0.658813566,0.634501266,0.687817713,0.683513524,0.597083477,0.764636971,0.590585318
2794,C41 H70 O13,Ginsenoside F5,770.4808,13.495043,0.126584356,0.10825986,0.055812754,0.130650041,0.020306277,0.208672144,0.058126538,0.160029799,0.130017864,0.195833511,0.215478355,0.052271332,0.231741084,0.113794892
2795,C26 H50 O4,C26 H50 O4,426.3622,16.292973,0.327649673,0.136745514,0.493400868,0.451961528,0.132776236,0.402303545,0.247259778,-0.222045783,-0.140242876,-0.319635216,-0.334531155,-0.088495613,-0.315186788,-0.161994345
2796,C24 H54 N16 O4 S,C24 H54 N16 O4 S,662.4287,13.370996,1.103530265,0.868137683,1.391053583,1.129491028,1.089045746,1.118499318,1.070416601,0.824576313,0.695170814,0.978954804,0.812638486,0.834349218,0.861007527,0.801087768
2797,C23 H47 O6 P,PA(P-20:0/0:0),449.3089,8.682996,1.023709199,0.997775322,1.090803661,1.196907202,0.79215934,1.137775281,0.93205232,-0.605469581,-0.522913826,-0.703957147,-0.668958704,-0.528237717,-0.554579379,-0.638280369
2798,C44 H77 O9 P,"PG(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",779.5235,8.168976,0.457420402,0.517981777,0.336324447,0.629628052,0.125327208,0.732193574,0.232320674,-0.350845334,-0.319430732,-0.388322403,-0.439667355,-0.226286225,-0.394486033,-0.322708567
2799,C29 H42 N7 O18 P3 S,"2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA",923.1316,13.419982,0.703965839,0.706679321,0.476755915,0.725981237,0.41584096,0.53873987,0.645281838,-0.281202382,-0.358810708,-0.18861701,-0.272886669,-0.312140191,-0.215589038,-0.323505722
2800,C29 H59 N8 O4,C29 H59 N8 O4,583.4665,14.926022,0.759642685,0.790017721,0.492916735,0.623830773,0.777352318,0.780458781,0.65482733,-0.430086049,-0.533525285,-0.306684855,-0.399857073,-0.481243901,-0.445947397,-0.419859654
2801,C31 H46 O3,"(17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3 / (17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol Esi+12.132014",483.3763,12.132014,0.164653157,0.117462773,0.238773235,0.189238533,0.087757172,0.318166073,0.101491965,0.13249752,0.137210564,0.126874942,0.178309388,0.046169011,0.244680427,0.060169067
2802,C16 H23 N5 O,Tegaserod,301.1887,5.0770097,1.335638313,1.262324553,1.265522865,1.066471761,1.497859291,0.667363291,1.620086139,1.791790681,1.852528185,1.719331905,1.629127959,2.027469273,1.125212656,2.221558093
2803,C40 H77 O10 P,PG(16:0/18:1(9Z))[U] Esi+12.843995,747.5159,12.843995,0.143254698,0.21982538,0.017373776,0.260875894,0.126990744,0.30902205,0.054194568,0.030402928,-0.013913196,0.083271288,0.005784389,0.040151074,-0.072512286,0.096756159
2804,C7 H16 N O3,Carnitine Esi+0.90899765,161.1048,0.90899765,0.187499306,0.217247772,0.091924156,0.185294322,0.452116999,0.046039073,0.246223799,0.13976587,0.164922509,0.10975444,-0.031289541,0.381916753,0.124519703,0.149595635
2805,C14 H40 N10 O8,C14 H40 N10 O8,476.3016,5.2119994,0.523220391,0.530798979,0.385413549,0.794565896,0.229422276,0.747190837,0.342170345,0.348479346,0.407919144,0.277568711,0.449759153,0.212295688,0.490961955,0.256615559
2806,C9 H14 O5,3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid,202.0844,0.899998,0.060041495,0.225548482,0.491092673,0.234878288,0.362160368,0.00721438,0.168928869,0.073220965,-0.216825054,0.419240778,-0.110789426,0.314246576,0.000434939,0.120148797
2807,C18 H32 N6 O4,His Leu Lys,396.2488,11.476005,2.346895649,2.181495855,2.597897871,2.320595758,2.509837567,2.226070147,2.496450366,2.645296366,2.435095,2.896062908,2.558260886,2.742131164,2.495417392,2.741928862
2808,C30 H42 O9,Decoside,546.278,11.917984,0.843756571,0.754200208,0.95432467,1.000440323,0.610662008,0.891362272,0.806700306,0.872312177,0.797945163,0.961030719,1.005814715,0.665156775,0.914850351,0.844886249
2809,C9 H18 N2,C9 H18 N2,154.1467,4.023007,0.496874251,0.569804177,0.373079708,0.513533469,0.447280455,0.38494212,0.407115282,-0.16002415,-0.195030592,-0.11826208,-0.121713539,-0.208997943,-0.112783379,-0.190482016
2810,C6 H8 O2,4-Hexynoic acid Esi+7.364992,112.0523,7.364992,0.740153784,0.92046395,0.358379601,0.874944978,0.448323798,0.835218974,0.52827935,-1.000989825,-1.400353496,-0.524555972,-1.189328114,-0.722977828,-1.098791157,-0.937933703
2811,C29 H30 N2 O3 S2,C29 H30 N2 O3 S2,518.1693,14.452954,1.203780313,1.258071439,0.896168988,1.11985256,1.1338244,1.166747124,1.093152855,-1.478670079,-1.627887122,-1.300656766,-1.506464391,-1.468913335,-1.626495404,-1.383361646
2812,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+6.7130103,238.1185,6.7130103,0.255352188,0.168403497,0.506684277,0.389064065,0.218819545,0.294006658,0.321898951,0.097885055,0.031236889,0.177395148,0.116045709,0.075590717,0.069819764,0.115979782
2813,C20 H43 N O7 P,PC(0:0/12:0)[U],439.2704,9.860998,0.399913846,0.07505751,0.724505466,0.120124647,0.558946103,0.186983331,0.519849227,0.286254567,0.132915309,0.469185611,0.223247433,0.383905846,0.219525031,0.329277557
2814,C23 H32 N4 O4,Nummularine F Esi+10.496,428.2408,10.496,0.176137631,0.361027247,0.108600722,0.353202887,0.04444996,0.102010446,0.191247713,-0.0728046,-0.206854271,0.087114306,-0.102949281,-0.057162345,-0.029902585,-0.100465109
2815,C35 H56 N4 O6,C35 H56 N4 O6,628.421,14.764966,0.012426432,0.243419535,0.296649766,0.12166005,0.103660627,0.020735423,0.032480431,0.17833555,-0.037965534,0.436378948,0.194910083,0.132880316,0.242515458,0.136956399
2816,C42 H58 N O,A2E,609.4813,16.489012,1.839807857,2.04674873,1.783403585,2.03223365,2.025982381,2.092103427,1.93209878,-1.985496134,-2.178188342,-1.755617709,-1.882717796,-2.091189492,-1.799916676,-2.105146047
2817,C27 H31 N5 O4,Trp Val Trp,506.2672,14.177,2.525969369,2.533392614,2.364594116,2.459131075,2.545419522,2.470923524,2.497298968,-4.209960572,-4.360178101,-4.030753694,-3.98726943,-4.505192305,-4.124770421,-4.264885801
2818,C22 H30 O8,Picrasin F Esi+9.362033,422.1921,9.362033,0.023676453,0.064282957,0.069415858,0.047051168,0.007808535,0.224685263,0.156884719,0.061653692,-0.019719768,0.158730802,0.076454898,0.019847288,0.204120574,-0.030199956
2819,C46 H90 N O18 P,MIPC(t18:0/16:0(2OH)),992.6039,14.856988,0.300029011,0.388809811,0.093917733,0.237066614,0.330467681,0.026634357,0.395842725,-0.13951012,-0.269462055,0.01552026,-0.029837166,-0.317151709,0.042983946,-0.257170767
2820,C37 H64 N3 O6 P,C37 H64 N3 O6 P,676.4583,13.888979,1.773576459,1.82353701,1.601437566,1.815012019,1.632202653,1.791712129,1.70170438,1.632761021,1.830107425,1.397330223,1.732139648,1.47412336,1.761104771,1.550013076
2821,C10 H20 N6 O P,C10 H20 N6 O P,271.1425,6.4229836,1.374560523,1.246958328,1.28668412,1.233567049,1.311930685,1.266284305,1.318134188,1.508677394,1.49087899,1.529910576,1.463818253,1.545545944,1.586241939,1.458668673
2822,C15 H16 O4,Kanzonol Q Esi+6.2070007,282.0876,6.2070007,0.734161262,0.57078866,0.962900123,0.593244592,0.841176479,0.634210413,0.73032818,0.614384823,0.45672145,0.802474462,0.602680674,0.630943413,0.560198649,0.649320647
2823,C45 H77 O8 P,"PA(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) Esi+13.134019",776.5362,13.134019,0.630504432,0.748052166,0.290195666,0.768676354,0.327644186,0.604051536,0.489517816,-0.247189056,-0.317095497,-0.163791898,-0.235959478,-0.277577367,-0.219052319,-0.265329847
2824,C28 H54 O6,C28 H54 O6 Esi+14.395016,486.3915,14.395016,0.874925338,0.985595267,0.556435394,0.791677818,0.830651051,0.667762559,0.875656089,-0.495154109,-0.631646154,-0.332321494,-0.445614623,-0.583012179,-0.369968163,-0.575866101
2825,C50 H83 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z))",922.5628,15.2209635,0.609006321,0.479942197,0.736822959,0.607039587,0.578542311,0.738143249,0.519585346,0.623961741,0.550589194,0.711493902,0.731701525,0.501211268,0.816157383,0.50004613
2826,C25 H40 O8,3-alpha-androstanediol glucuronide,468.2725,13.602033,1.454947161,1.161361202,1.779696159,1.409005563,1.505600756,1.33481303,1.534108973,1.304718491,1.113818988,1.532458249,1.259627384,1.366945199,1.176593564,1.387325352
2827,C33 H54 O2,24-Methylcycloart-23-en-3beta-yl acetate,481.3968,14.3310375,0.659454383,0.566005653,0.80089879,0.790713775,0.621353305,0.653546841,0.680977239,0.408204785,0.349092301,0.478724941,0.414946249,0.379694532,0.35045648,0.445437244
2828,C10 H16 N2 O2,Fasoracetam,196.1208,4.88799,1.596764734,1.828031131,1.598380412,1.906973617,1.586248775,2.092014023,1.460001367,-0.674647685,-0.796493669,-0.529287563,-0.729284979,-0.593940539,-0.834334892,-0.571691459
2829,C23 H41 Cl N5 O P,C23 H41 Cl N5 O P,469.2685,6.4720097,0.687830526,0.419241545,0.882645482,0.441502639,0.863900279,0.39901966,0.777815672,0.528669573,0.259657667,0.849596057,0.327653724,0.801296094,0.271703948,0.694344779
2830,<none>,<none> Esi+8.713004,473.8001,8.713004,0.174352187,0.365594552,0.114786261,0.027206216,0.316706881,0.228869602,0.117380251,0.041793318,0.171758569,-0.113252946,-0.016842182,0.106914745,0.103094354,0.002270282
2831,C7 H6 O2,3-(2-Furanyl)-2-propenal,122.0344,1.1779975,0.150159296,0.177427713,0.062060196,0.189033674,0.045079161,0.078306476,0.057206801,0.112284274,0.265306239,-0.070268244,0.206208734,0.003084157,0.177940156,0.069953509
2832,<none>,<none> Esi+10.510988,465.8028,10.510988,0.946417444,1.054497232,0.914727845,1.107592246,0.797172687,1.274112294,0.799297935,0.614710338,0.708011029,0.50340425,0.662796076,0.51729391,0.747418138,0.529148729
2833,C35 H69 N2 O6 P,"PE-Cer(d14:2(4E,6E)/19:0)",643.4855,13.920967,0.399346196,0.472136601,0.125311949,0.310746438,0.470787722,0.48732156,0.285168236,-0.230005128,-0.348709225,-0.088393224,-0.171289676,-0.321110583,-0.276454188,-0.200057708
2834,C42 H58 O6,Fucoxanthin Esi+14.2580385,680.4109,14.2580385,0.642362067,0.420948326,1.153590478,0.515872408,0.851111255,0.478669029,0.865680383,0.693615318,0.554062094,0.860099866,0.660689345,0.742654829,0.550223326,0.786065418
2835,C46 H79 N5 O10,C46 H79 N5 O10,861.5816,14.497015,1.212405322,1.257951196,1.049717629,1.267772083,1.030962281,1.201123695,1.130678664,-1.060831623,-1.246921707,-0.838829417,-1.033079577,-1.097765145,-1.049466478,-1.068159151
2836,C16 H O21 P,C16 H O21 P Esi+12.54901,559.873,12.54901,1.843644004,1.809587294,1.718594403,1.827277104,1.685525279,1.788162907,1.776002724,1.324943583,1.390480029,1.246759752,1.357075795,1.25999246,1.395070263,1.279730328
2837,C36 H71 N2 O6 P,"PE-Cer(d16:2(4E,6E)/18:0)",680.4852,14.245047,0.520282072,0.511876518,0.346552746,0.502711747,0.386110334,0.413513941,0.465150019,-0.357589234,-0.354225771,-0.361601785,-0.343730758,-0.383324614,-0.326280466,-0.377775149
2838,C45 H74 O11,Oligomycin A,812.5096,9.128014,0.570500066,0.72737091,0.282903121,0.549899742,0.387293245,0.847551472,0.343936369,0.25779505,0.372665677,0.120756407,0.316342362,0.152102136,0.447280384,0.135626874
2839,C25 H48 N O4,Elaidic carnitine Esi+12.767026,425.3496,12.767026,0.118899004,0.074242497,0.0894073,0.431404953,0.229398444,0.347643988,0.052807984,-0.170314003,-0.192635229,-0.143685173,-0.401516039,0.201108787,-0.35145853,-0.053523453
2840,<none>,<none> Esi+13.797044,771.5183,13.797044,0.310161564,0.420968936,0.156787276,0.487904149,0.162998046,0.412108974,0.285100756,-0.225607259,-0.299441868,-0.137523867,-0.275462847,-0.174930811,-0.27455638,-0.194047958
2841,C19 H26 O8,Cyclocalopin B,382.1601,8.5,0.120112371,0.044953473,0.211374616,0.063509834,0.141584027,0.404431825,0.364229809,-0.098621903,0.027929492,-0.249595497,-0.014311007,-0.233869844,0.371156689,-0.401505469
2842,C12 H12 N4,MeIQ Esi+5.726,212.1046,5.726,0.282944531,0.337814499,0.116092417,0.211521012,0.426430443,0.039543907,0.398068412,-0.135617948,-0.169306153,-0.09542851,-0.002334492,-0.334482962,0.029933655,-0.242355166
2843,C27 H8 N4 O18 P,C27 H8 N4 O18 P,706.9568,11.577969,1.242953598,1.29470094,1.154635187,1.220637078,1.186451437,1.319475278,1.198354399,0.873395107,0.943271537,0.790033751,0.89873352,0.80629477,0.975180547,0.807770284
2844,C15 H25 N O3,Metoprolol Esi+9.218012,267.1807,9.218012,0.45827961,0.41038368,0.551496245,0.422484823,0.594778465,0.489283147,0.552948301,-0.634515548,-0.475077286,-0.824722598,-0.704942457,-0.56194565,-0.787252565,-0.536040367
2845,C45 H79 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) Esi+9.666014",777.5432,9.666014,0.632190214,0.566722406,0.685256513,0.829620125,0.364993291,0.493183873,0.600590754,-0.296393121,-0.236185653,-0.368219575,-0.294276779,-0.31894575,-0.165974338,-0.380478916
2846,C25 H46 O7,C25 H46 O7,458.3236,14.28399,0.615751703,0.407770065,0.871013308,0.513652066,0.721086735,0.555162079,0.662611774,0.530289768,0.424962136,0.655943786,0.48780406,0.587245484,0.482964914,0.560801846
2847,C46 H90 N O11 P,Ins-1-P-Cer(d18:1/22:0),885.6108,13.868966,0.672720762,0.68951366,0.423338303,0.752155181,0.290171279,0.517940396,0.592510148,-0.255189431,-0.323462889,-0.173740393,-0.268527672,-0.25435216,-0.199332613,-0.291202379
2848,C13 H6 Br2 F6 N2 O2 S,Thifluzamide,524.8336,9.151996,0.073215214,0.121463961,0.019223614,0.125963142,0.342903717,0.174686964,0.201191937,-0.15684103,-0.068356555,-0.262401457,-0.349836287,0.083968704,-0.306807874,-0.060151881
2849,C12 H10 Cl N9 O9 P,C12 H10 Cl N9 O9 P,490.0036,11.524984,0.184759692,0.118510436,0.308315983,0.171653714,0.206790131,0.288988624,0.143914874,0.104002905,0.098447151,0.110630822,0.120277463,0.059307069,0.172444285,0.059876226
2850,C13 H26 N O4,(?)-Hexanoylcarnitine Esi+5.620983,259.1785,5.620983,0.732180914,0.856325367,0.461840097,0.7120393,0.807175601,0.729184731,0.689974258,0.562466328,0.726065988,0.367294805,0.545019566,0.59688382,0.57677969,0.553237977
2851,C10 H24 N4 O12 P S3,C10 H24 N4 O12 P S3,519.0292,12.757017,0.823686805,1.108540944,0.47687103,1.105006815,0.477487991,1.057406719,0.669432366,-0.422739867,-0.557698612,-0.261736452,-0.506371852,-0.302620733,-0.529073589,-0.354182599
2852,C33 H52 O11,Spongipregnoloside B Esi+12.985016,624.344,12.985016,1.020895399,0.92513767,1.186103467,0.907620541,1.167435038,0.859743309,1.157921486,1.0076854,0.902618103,1.133028843,0.914964141,1.123747955,0.882253016,1.08855628
2853,C23 H36 O6,"15R-PGE2 methyl ester, 15-acetate",408.2481,13.665024,0.287118585,0.066006537,0.634743997,0.280289937,0.303324501,0.353662338,0.2511828,0.324155664,0.147009882,0.535487475,0.34599322,0.282693464,0.330519404,0.320052727
2854,C13 O17 S2,C13 O17 S2 Esi+12.833007,491.8581,12.833007,0.31026771,0.214930514,0.416091557,0.196046943,0.499392047,0.121911517,0.489776663,0.064730756,0.06323676,0.066513066,-0.014354913,0.157574745,-0.055046755,0.14195573
2855,C17 H47 N12 O4 P,C17 H47 N12 O4 P,514.3574,10.104986,0.849304509,0.89446907,0.905848621,1.027220267,0.693281533,0.903428222,0.858701897,-0.718622798,-0.610318081,-0.847828425,-0.671296087,-0.742465621,-0.632872312,-0.773909295
2856,C32 H65 N O8 P,PC(9:0/15:0)[U] Esi+13.677001,622.4453,13.677001,0.454325102,0.579298913,0.119629095,0.568523587,0.246700781,0.370320782,0.363526105,-0.144021292,-0.201485284,-0.075467757,-0.124457689,-0.185085151,-0.080669228,-0.184866701
2857,C20 H6 N4 O22,C20 H6 N4 O22,653.9465,11.211005,0.109222649,0.172391381,0.081429013,0.191177932,0.070455634,0.025097328,0.09986208,-0.014577593,-0.053676537,0.032066762,-0.009410574,-0.049285225,0.066254901,-0.06669328
2858,C10 H24 N3 O4,C10 H24 N3 O4,250.1764,5.8480124,0.909872826,1.136673699,0.646079664,1.196586208,0.66948185,1.368051291,0.663302927,-1.519099227,-1.691167871,-1.313824353,-1.849184743,-0.970810405,-1.912882571,-1.265212597
2859,C12 H2 O22 P,C12 H2 O22 P Esi+12.116964,528.8763,12.116964,1.219931035,1.034113076,1.246344176,1.094048784,1.109538524,1.073229272,1.193728661,0.771915849,0.742339648,0.807199739,0.770517324,0.754529154,0.79731774,0.755538315
2860,<none>,<none> Esi+12.585998,418.8107,12.585998,0.362379944,0.423703812,0.131739726,0.352840347,0.313001727,0.21100668,0.318107321,-0.120239711,-0.162779207,-0.069490839,-0.115302632,-0.138250007,-0.080648086,-0.145765891
2861,C12 H18 N2 O2 S,Thiamylal,254.1126,6.3740144,0.895176317,0.9202344,0.752794559,0.691706187,1.047031645,0.806436554,0.899598731,0.921064197,0.912000743,0.931876738,0.801401945,1.058024049,0.848900165,0.967591007
2862,C7 H13 O6 P,Cedrol,224.0445,4.8360066,0.859435286,0.723724779,1.042311403,0.522089367,1.225557893,0.947738404,0.807370845,0.980127864,0.838458535,1.149136887,0.789818822,1.217127897,1.108805472,0.897164669
2863,C10 H21 N12,C10 H21 N12,309.2017,6.9250126,0.532238291,0.718574004,0.190628055,0.516841386,0.565833491,0.47300404,0.533408706,0.606876163,0.859522124,0.305473963,0.516303273,0.721439307,0.551290051,0.642714577
2864,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.8990107,272.1619,6.8990107,0.375011496,0.352100094,0.230243628,0.223229834,0.2792835,0.303702945,0.207497072,-0.165861933,-0.169791602,-0.161173908,-0.175239801,-0.16865402,-0.181293521,-0.155912621
2865,C12 H11 N,5-Aminoacenaphthene,169.0888,7.0880103,0.17805785,0.010166129,0.566339356,0.011965823,0.372035902,0.146828474,0.47280205,0.121917291,0.082684142,0.168721748,0.118132541,0.124078861,0.064645083,0.158842793
2866,<none>,<none> Esi+14.163029,798.0609,14.163029,0.383342195,0.574456672,0.05271231,0.541126493,0.036390054,0.351414235,0.307438605,-0.123323001,-0.24537162,0.02227886,-0.160832671,-0.084384542,-0.109409576,-0.132293499
2867,C17 H31 N O4,C17 H31 N O4 Esi+8.269018,313.2249,8.269018,0.16596233,0.123168976,0.170253167,0.024802228,0.305407196,0.083647338,0.291717334,0.211241731,0.265084831,0.147007857,0.264079918,0.259585957,0.049921831,0.315250613
2868,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol",256.1311,6.194986,0.81643821,0.59686259,0.990441938,0.647085542,0.974318979,0.664127857,0.872577741,-0.657279043,-0.571419175,-0.75970836,-0.502401074,-0.871065886,-0.519092009,-0.746373315
2869,C17 H45 N18 O P,C17 H45 N18 O P,548.3781,12.783995,0.795370562,0.76027186,0.852359815,0.773315653,0.797577417,0.90598714,0.746472729,0.598470833,0.628511693,0.562632614,0.639465921,0.539689337,0.730052094,0.513635546
2870,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+15.232964",280.24,15.232964,2.26980888,2.364939659,2.155721322,2.362413968,2.201970261,2.393275936,2.218009775,-1.72328465,-1.92468464,-1.483017996,-1.752373208,-1.683306544,-1.743081178,-1.7105211
2871,C29 H59 N8 O7,C29 H59 N8 O7 Esi+10.124018,631.4489,10.124018,0.087690082,0.01708095,0.135536322,0.055448117,0.07099295,0.03186051,0.077551604,-0.070523487,-0.006015239,-0.147480695,-0.037521076,-0.142090025,0.008530409,-0.121492446
2872,C13 H11 N3 O5 S2,2-Hydroxytenoxicam,370.0392,7.56701,0.31205219,0.472504477,0.09947746,0.51330095,0.010616221,0.683352894,0.071330186,-0.252633558,-0.342310586,-0.145650437,-0.390205763,-0.046899133,-0.497546039,-0.094729459
2873,C27 H56 N O7 P,PE(22:0/0:0) Esi+10.083986,536.371,10.083986,0.807822366,0.827689522,0.755394221,1.061789776,0.426523018,0.854466865,0.709472457,-0.422777122,-0.4530945,-0.386609023,-0.488396028,-0.339545148,-0.369161859,-0.457344858
2874,C35 H54 O9,"2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol",635.4077,6.3900123,0.309549844,0.454448546,0.06743293,0.311594865,0.208767941,0.542501373,0.116321544,0.10118152,0.205441095,-0.023198324,0.13595224,0.035149479,0.270364383,-0.007896905
2875,C37 H48 O3,"1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol Esi+11.009012",539.3539,11.009012,0.800336539,0.898802925,0.464993586,0.75376828,0.574421615,0.897007356,0.58504663,1.376659714,1.564004555,1.153160606,1.531982938,1.121122304,1.684877617,1.177940277
2876,C17 H17 Cl N6 O3,Eszopiclone,388.1041,13.257019,0.403682096,0.369084633,0.310492769,0.322886972,0.347450807,0.699310848,0.149016985,-0.333420878,-0.320050696,-0.349371269,-0.337517317,-0.270147123,-0.602591221,-0.15987684
2877,C7 H11 N O3,Ethadione,157.0758,0.87300074,2.10645856,2.064323773,2.119880086,2.216255953,2.052192411,2.156559657,2.064475346,-3.035144597,-3.078809312,-2.983053358,-3.081008358,-2.950055549,-3.162034309,-2.953334124
2878,C31 H50 O P,C31 H50 O P Esi+11.135008 :1,469.3614,11.135008,0.258751237,0.245282023,0.174286678,0.282894535,0.173170051,0.091343807,0.254703903,-0.100451824,-0.085150705,-0.118705791,-0.063018743,-0.179571471,0.003054578,-0.167186215
2879,C49 H89 O12 P,"PI(P-20:0/20:3(8Z,11Z,14Z))",900.6164,13.477033,0.675384239,0.717667757,0.397639822,0.696146972,0.39706534,0.525778785,0.607021516,-0.250272017,-0.329482138,-0.155775732,-0.240765976,-0.280486176,-0.19795286,-0.284004105
2880,C35 H7 N5 O12 P,C35 H7 N5 O12 P,719.9829,13.698979,1.195636276,1.27909888,1.115453547,1.083284174,1.385057103,1.021967607,1.394076301,0.872933718,0.969421758,0.75782518,0.832124178,0.907033516,0.803981538,0.917389729
2881,C29 H59 N O8 P,PC(9:0/12:0)[U],580.3972,10.052983,0.787034335,0.779759624,0.790875263,1.021349504,0.340028253,0.73837123,0.674886289,-0.447075528,-0.458984658,-0.432868144,-0.528483325,-0.333472484,-0.357387764,-0.504900534
2882,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+4.6619906,170.0926,4.6619906,0.071462692,0.111146476,0.145975696,0.02917089,0.135826191,0.404564365,0.073522288,0.119835178,0.072646124,0.176130891,0.161886511,0.063026347,0.325109927,-0.012513016
2883,C11 H18 N2 O7,N-Succinyl-L-diaminopimelic acid,290.1109,7.1209803,0.792168551,0.739147263,0.826494295,0.794610223,0.680935877,0.802504124,0.726065214,0.464918899,0.468526895,0.460614624,0.50905322,0.385210638,0.514217368,0.433134361
2884,C30 H38 O8,Absintholide,526.2544,11.347991,1.592457662,1.544236283,1.690816516,1.620806827,1.588507292,1.693328112,1.559263637,1.705631925,1.60036159,1.831217587,1.733842218,1.646624054,1.737743247,1.684928573
2885,C7 H8 O6,(E)-2-(Methoxycarbonylmethyl)butenedioate,188.0359,2.5880067,0.915707679,0.850023298,0.844990519,0.773298654,1.006515943,0.574584235,1.074988937,-0.656925926,-0.634899715,-0.683202808,-0.551585761,-0.812234889,-0.490860372,-0.763994506
2886,C28 H53 N O7 P,"PC(20:3(8Z,11Z,14Z)/0:0)",545.3402,7.019014,1.082257033,0.86026508,1.370696808,1.037758967,1.161154847,0.835344184,1.208560073,-0.704504851,-0.490460706,-0.95985576,-0.603235276,-0.861353496,-0.497220147,-0.838148936
2887,C11 H18 N2 O7,N-Succinyl-L-diaminopimelic acid Esi+7.2249837,290.1106,7.2249837,1.145785994,1.002123115,1.153263949,1.041008066,1.074611738,1.002317302,1.127578112,0.717893613,0.703285215,0.735321175,0.72023142,0.703712672,0.694206214,0.733165752
2888,C30 H52 O5,Xeniasterol-a,492.3796,15.0810375,1.096459957,1.043959965,1.009437922,1.116689145,1.017541814,1.032073921,1.040530403,-0.649757299,-0.700105909,-0.58969229,-0.585633371,-0.752127952,-0.595780602,-0.684558064
2889,C25 H27 N5 O5,Ser Trp Trp,494.2282,13.482972,1.481219151,1.127422693,1.738351647,1.339487813,1.545045635,1.278163911,1.546967761,1.121335596,0.930667925,1.348798784,1.017437691,1.281794385,0.951889635,1.23058365
2890,C35 H60 O7 P2,all-trans-heptaprenyl diphosphate,654.3793,6.777989,0.780743433,1.025586233,0.38522933,0.815190213,0.592986694,1.038273741,0.554836445,0.317371972,0.476128691,0.127977991,0.36117371,0.234623527,0.501383575,0.198732911
2891,C27 H44 O2,7?-Hydroxycholest-4-en-3-one,400.3341,16.186022,1.067127938,1.177210583,0.584133036,0.769462328,1.092980158,1.081721845,0.859033282,-0.971405697,-1.144015029,-0.765485793,-0.730892982,-1.27925972,-1.153191482,-0.854201704
2892,C31 H54 N13,C31 H54 N13,608.4616,15.204038,0.534006125,0.613054527,0.481579045,0.579669659,0.441727488,0.518463597,0.514941637,-0.348229182,-0.455049983,-0.22079384,-0.319780626,-0.374502206,-0.312905608,-0.371003591
2893,C42 H58 O4,Peltatol A Esi+13.681957,625.4287,13.681957,1.222443453,1.144136066,1.367797208,1.076565557,1.42385821,1.051508603,1.38307696,0.943621435,0.911148997,0.982360484,0.861026349,1.037281256,0.83569341,1.013206609
2894,C43 H63 N O11,Selamectin,768.4271,13.114991,1.944884793,1.798246369,2.105215868,1.856685902,2.094681881,1.73717542,2.093708155,1.9759423,1.812714423,2.170670294,1.899147492,2.067729275,1.760747858,2.114686086
2895,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+11.288996,452.1607,11.288996,0.78769676,0.812276294,0.950240429,0.863996979,0.970942458,0.765877003,0.992134329,0.742863148,0.735490785,0.751658249,0.667282132,0.847460681,0.576261375,0.85027745
2896,C28 H57 N O8 P,"1,2-Didecanoyl PC",566.3819,9.162997,0.590051909,0.593604365,0.565994748,0.826615531,0.271837009,0.947826083,0.335150266,-0.711231546,-0.678724478,-0.750011908,-0.900120184,-0.466099431,-0.970190163,-0.544271385
2897,C16 H36 S2,C16 H36 S2,292.2253,9.451009,0.091586994,0.024370966,0.330914537,0.173117305,0.089744895,0.08703782,0.141123892,-0.018700953,-0.094879137,0.072178284,0.044700303,-0.116885065,0.01041854,-0.037475363
2898,C24 H40 N6 O8,C24 H40 N6 O8 Esi+9.972003,540.2909,9.972003,1.943264055,1.906537241,2.016141245,1.968030044,1.968581969,1.919990252,2.029232701,2.301845888,2.193061936,2.431623234,2.267091594,2.33420246,2.220654112,2.354193217
2899,C33 H44 O4,Eudesobovatol A Esi+10.201003,504.3277,10.201003,0.73098699,0.887983603,0.572966313,0.828033307,0.505365019,0.944815713,0.638449814,0.37024394,0.473595006,0.246947931,0.449646754,0.229719411,0.513473785,0.277898382
2900,C29 H66 N24 O P,C29 H66 N24 O P,797.5604,14.165024,0.690699358,0.772324449,0.378725504,0.717811663,0.416606629,0.626343067,0.543527452,-0.291965867,-0.394639236,-0.169478339,-0.302611177,-0.286472969,-0.32011977,-0.273814008
2901,C22 H38 N4 O3,C22 H38 N4 O3,406.294,10.614012,2.447764907,2.362385547,2.334269943,2.426393701,2.391122628,2.331745864,2.413011147,2.775146532,2.761174673,2.791814713,2.66162618,2.932460489,2.694240356,2.827309724
2902,C30 H65 N13 O6 S,C30 H65 N13 O6 S,733.4778,13.403019,1.094169517,1.094721932,0.953379852,1.098752904,0.862687194,1.114594969,0.993800861,0.797259635,0.836059633,0.750971918,0.837073506,0.720555855,0.899558761,0.731303619
2903,C16 H26 N6 O5,Leu His Asn Esi+9.251979,382.1965,9.251979,0.202776363,0.343542161,0.05524945,0.236285477,0.230561759,0.227339786,0.156810116,-0.119062065,-0.226535409,0.00915175,-0.101707656,-0.173079158,-0.156031786,-0.095226324
2904,C25 H36 N O6,"Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl",445.2464,11.024987,0.320718896,0.088709467,0.86279083,0.138690417,0.737027182,0.093498068,0.654447372,0.140034496,0.074050738,0.218751962,0.072906492,0.229755232,0.05761884,0.193170906
2905,C27 H43 N21 O7,C27 H43 N21 O7,773.3649,5.484988,0.45051444,0.288991072,0.544983848,0.404240924,0.429833845,0.224567213,0.565619031,-0.31063267,-0.228703396,-0.408372856,-0.259748509,-0.359400392,-0.147804752,-0.415613828
2906,C35 H56 N2 O6,3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone Esi+8.49099,622.3891,8.49099,0.473096352,0.689191075,0.122813855,0.44164227,0.372181509,0.687037073,0.301997688,0.194163974,0.329932935,0.032193985,0.224608507,0.132478453,0.340328897,0.099926063
2907,C21 H52 N7 O5 S,C21 H52 N7 O5 S,514.3758,10.970969,0.206199758,0.167615807,0.135415183,0.230495931,0.074038531,0.072776538,0.181638786,-0.108700083,-0.063904059,-0.162140954,-0.066561487,-0.190840207,0.019724439,-0.191500104
2908,C15 H12 O3,"2,4-Dihydroxychalcone",240.0785,10.280024,0.955023942,0.922053171,0.847623149,0.937402797,0.890168771,1.018126317,0.83328509,-0.504700694,-0.485368558,-0.527763593,-0.427574782,-0.606101998,-0.476776638,-0.522704361
2909,C24 H51 N O10,C24 H51 N O10,513.3507,10.47097,0.738798,0.734009342,0.718934381,0.781935078,0.607367675,0.654650979,0.704233231,-0.414167149,-0.408879444,-0.420475289,-0.374572964,-0.491816618,-0.313301688,-0.479198829
2910,C7 H7 N3,"3-Methylpyrrolo[1,2-a]pyrazine",150.0891,6.587007,0.420237632,0.454787409,0.231284915,0.451333159,0.294376797,0.353913184,0.380818137,-0.157838172,-0.2352515,-0.065485429,-0.196702681,-0.126954648,-0.132504225,-0.1741719
2911,C26 H43 O7,C26 H43 O7,467.3006,10.889984,0.971876512,0.873575668,1.179970302,0.96037036,1.044755815,1.004800117,1.027165961,0.964195219,0.835734827,1.117446213,0.993167074,0.895454058,0.96096623,0.966277067
2912,<none>,<none> Esi+8.642979,429.7738,8.642979,0.02900981,0.131010874,0.295425189,0.139671091,0.14996693,0.031778,0.019956139,-0.079987394,0.042398869,-0.225992058,-0.162518599,0.022120781,-0.045990928,-0.101906168
2913,C31 H60 O2,"8,10-Hentriacontanedione",481.4854,14.135009,0.666733854,0.787258456,0.234412719,0.826939265,0.399611828,0.801690305,0.531018062,-0.26896209,-0.410752596,-0.099808505,-0.330323502,-0.18768022,-0.355683568,-0.213049559
2914,C30 H50 O5,Cycloastragenol Esi+15.148976,490.3634,15.148976,1.481176733,1.654328347,1.162903006,1.56809883,1.372807927,1.507198326,1.408012463,-1.102598353,-1.337465955,-0.822405424,-1.010884916,-1.252535607,-0.994496554,-1.172295565
2915,C43 H68 O14,Calenduloside G methyl ester,808.4682,14.235035,0.474400155,0.256326282,0.869312274,0.585116762,0.391200635,0.667693045,0.354801103,0.406604267,0.250018478,0.593408365,0.518733439,0.25085836,0.50843667,0.340949164
2916,C23 H46 N O7 P,LysoPE(18:1(11Z)/0:0),479.3013,9.610003,0.568220244,0.809528238,0.252720525,0.579683791,0.356495542,0.915474724,0.338995103,0.311682903,0.463591622,0.130458465,0.39664409,0.170408573,0.5493776,0.158432374
2917,C37 H48 O3,"1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol Esi+14.535956",557.3915,14.535956,0.666937296,0.444656519,0.858159136,0.748232952,0.479327109,0.682775537,0.663120681,0.339141052,0.298956216,0.387080856,0.41328144,0.239186786,0.347433328,0.333794716
2918,C21 H38 O14,"2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid",514.2274,12.160975,0.329239383,0.305516853,0.322327201,0.238787929,0.471266588,0.154827729,0.640431692,0.255275955,0.37475178,0.112743393,0.188497653,0.305979031,-0.064062096,0.461164963
2919,C48 H80 N6 O14,C48 H80 N6 O14,964.573,14.477034,0.528715062,0.646771223,0.248768428,0.461224554,0.530925655,0.332843714,0.576393319,-0.296370619,-0.463745836,-0.096694921,-0.20373011,-0.443769161,-0.209006171,-0.352697697
2920,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.076968,488.3475,15.076968,1.041849386,1.095375608,0.847958621,0.985356241,0.976713884,0.953689678,0.981268854,-0.430822365,-0.550361994,-0.288213685,-0.367163682,-0.533839801,-0.400378854,-0.450450419
2921,C37 H71 O8 P,GPA(16:0/18:1(9Z)),673.4782,13.885009,0.099795387,0.164673016,0.21367377,0.187016385,0.143009424,0.024850126,0.04210211,-0.022534295,-0.055489466,0.016780646,-0.019295846,-0.049713229,0.036496741,-0.060593778
2922,C2 Cl F5,Chloropentafluoroethane,170.9855,1.2720025,0.031780251,0.067134992,0.266105019,0.164636703,0.019227032,0.103507518,0.038896567,-0.085155174,-0.250933269,0.112615184,-0.043614271,-0.112273079,-0.072050113,-0.09360449
2923,C19 H28 O3,"10-Acetoxy-8-heptadecene-4,6-diyn-3-ol",304.203,5.72999,1.401369571,1.419812527,1.010679728,1.098314143,1.442107198,1.20551361,1.293425372,1.576201697,1.879271651,1.214644559,1.368636459,1.864170001,1.560729207,1.586177382
2924,C7 H2 Cl3 N O4 P S5,C7 H2 Cl3 N O4 P S5,459.7279,5.5970035,1.224662054,1.242921975,1.100347166,1.026311278,1.332462167,1.20239688,1.143014463,0.880923777,1.014725404,0.721300783,0.784306197,1.020403852,0.938197303,0.843997425
2925,C32 H48 O5,Ganoderic acid X Esi+9.488016,529.3789,9.488016,0.351435971,0.28856201,0.376610446,0.369644627,0.235065356,0.203915106,0.356895891,-0.270016839,-0.172906516,-0.385867751,-0.244422041,-0.334214746,-0.148672881,-0.34825176
2926,C32 H50 O3,"1?,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b,24c-trihomo-20-epivitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b,24c-trihomo-20-epicholecalciferol",504.3533,12.841002,0.146301114,0.060347381,0.283124184,0.101619108,0.375600823,0.267976753,0.122908886,0.082706873,0.096936863,0.065730745,0.012686289,0.163371966,0.188812052,0.014296956
2927,C31 H52 N2 O5 S,Valnemulin Esi+5.5500064,563.3511,5.5500064,0.676008967,0.534431062,0.670923381,0.697407095,0.672642319,0.823063622,0.45268886,0.403882611,0.3680871,0.446586028,0.370053346,0.456649787,0.459944975,0.367737139
2928,C25 H52 N2 O,C25 H52 N2 O Esi+13.460999,396.4083,13.460999,0.001646657,0.054157687,0.146958018,0.009659297,0.080272087,0.008105697,0.0318756,-0.12515335,0.002117839,-0.276985645,-0.10687924,-0.18561295,-0.165069769,-0.099417764
2929,<none>,<none> Esi+12.94997,567.7275,12.94997,0.515421693,0.604310295,0.201684251,0.66595425,0.126796749,0.466988922,0.410989178,-0.140451681,-0.207823843,-0.060077873,-0.166181698,-0.115719156,-0.131892928,-0.145969824
2930,C12 H20 O3,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate",212.141,7.9179935,0.200724203,0.101981288,0.335142973,0.033484136,0.638259008,0.287722586,0.560395086,0.120504029,0.010677989,0.251524567,-0.146422771,0.494875506,-0.28953551,0.384871626
2931,C42 H70 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))",747.4809,13.629956,0.633604965,0.582825637,0.822448332,0.724275067,0.599805511,0.7754787,0.617282063,0.520350196,0.487575065,0.559450352,0.610072928,0.413159894,0.651076875,0.436065889
2932,C41 H64 O12,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside Esi+15.237043 :2,748.4375,15.237043,0.115192899,0.261385329,0.109406836,0.057088976,0.135811745,9.78E-05,0.128207397,-0.026678333,-0.182662325,0.159407834,0.049604524,-0.12169906,0.057474497,-0.080934763
2933,C33 H60 O10,Nonoxynol-9 Esi+13.19498,633.4438,13.19498,1.972003469,1.820046786,2.14768742,1.898875618,2.174905982,1.718673567,2.206202853,1.88801261,1.716172188,2.093015219,1.78922689,2.07199435,1.577150356,2.088436958
2934,C21 H40 N7 O2,C21 H40 N7 O2,422.3236,12.853023,0.679972123,0.952216675,0.214164122,0.892615577,0.514253862,0.836221036,0.586067992,-0.390270318,-0.620064646,-0.116129716,-0.406874174,-0.316690831,-0.449132391,-0.352319771
2935,C52 H107 N4 O S5,C52 H107 N4 O S5,963.7051,14.309026,0.230936561,0.242091454,0.095828134,0.329285248,0.003755042,0.005483782,0.253756133,-0.081250848,-0.103646947,-0.054532695,-0.080238019,-0.09711745,0.040585849,-0.159803455
2936,C28 H46 O6,Polyporusterone A,478.327,15.431953,0.924509399,0.901862152,0.832012582,0.917183212,0.81099167,0.746431152,0.903318126,-0.697315267,-0.777420047,-0.60175167,-0.658774409,-0.767012566,-0.61592092,-0.749793201
2937,C31 H51 N O10,5-O-?-D-Mycaminosyltylonolide,596.3373,6.2609887,0.378121481,0.67326314,0.081141732,0.456264007,0.163768561,0.711500021,0.10438662,0.134142508,0.318769693,-0.086114484,0.191948688,0.032184708,0.362041321,-0.012792252
2938,C30 H50 N7 O4,C30 H50 N7 O4,572.3894,13.8100395,0.901396495,0.925521326,0.758261672,0.936644768,0.851857772,0.881478244,0.870540531,-0.428258973,-0.503434253,-0.338576183,-0.387180249,-0.496806286,-0.410129588,-0.439947656
2939,C9 H16 N6 O4,Decarbamoylneosaxitoxin Esi+7.936008,272.1258,7.936008,0.267869066,0.458127119,0.014702122,0.265203065,0.201433849,0.384738516,0.11838263,-0.365236741,-0.600284487,-0.084828904,-0.501472439,-0.171810014,-0.745542539,-0.120039582
2940,C26 H34 O8,Austalide B,474.2217,10.802984,0.318469132,0.168006472,0.402315666,0.068791714,0.482450416,0.084586474,0.461969886,-0.167391064,-0.072692026,-0.280365354,0.064179303,-0.494857391,0.17500616,-0.388147169
2941,C21 H39 N O7,Sphingofungin E,428.2676,9.1639805,0.521743695,0.631295056,0.316800384,0.508866665,0.419838458,0.741300281,0.374708226,0.310027856,0.417079346,0.182317306,0.360805572,0.214165094,0.486877875,0.196006133
2942,C12 N O19 P S2,C12 N O19 P S2,556.8234,6.788977,1.53482623,1.500219636,1.547475458,1.422581381,1.680405184,1.463194302,1.525823465,1.153612539,0.981372339,1.359092075,0.975792744,1.390190077,0.952269818,1.283425608
2943,C32 H52 O9,Tokoronin Esi+13.447999,580.3559,13.447999,0.460971129,0.575353796,0.207639233,0.354851797,0.46886268,0.316704045,0.467937104,-0.463905338,-0.641734708,-0.25175802,-0.397826574,-0.568932822,-0.428750728,-0.486570811
2944,C17 H46 N18 S,C17 H46 N18 S,534.3902,15.086969,0.908585387,0.978630822,0.802546247,0.920285251,0.965798372,0.856749639,0.90798874,-0.602627049,-0.626780078,-0.573812909,-0.494755284,-0.776503355,-0.467956398,-0.68945418
2945,C28 H46 O4,Secasterone Esi+15.201967,446.3386,15.201967,1.699058291,1.761565992,1.377507512,1.649854654,1.599858552,1.609429105,1.626836035,-1.127191429,-1.321796333,-0.895031193,-1.030558979,-1.257206954,-1.124325195,-1.129039395
2946,C15 H26 N2 O,Retamine,250.2039,9.130999,0.585208719,0.88665345,0.285556485,0.672098176,0.497707077,0.98933831,0.358038943,-0.398043269,-0.494276411,-0.283238819,-0.504924558,-0.252700086,-0.535208669,-0.309607682
2947,C15 H15 Cl2 N7 O6 P S,C15 H15 Cl2 N7 O6 P S,521.9935,7.354987,0.416200685,0.265707619,0.27424125,0.074393979,0.567602907,0.355639608,0.3106926,0.204842163,0.208927227,0.199968752,0.109454909,0.333783913,0.224089928,0.192432419
2948,C18 H32 O3,12(13)-EpOME Esi+13.371023,296.2346,13.371023,0.689276045,0.833769063,0.384354862,0.547503734,0.686244199,0.995836071,0.412775283,-0.218999822,-0.285580068,-0.139570757,-0.184208488,-0.260457174,-0.365798283,-0.124353446
2949,C29 H46 N O4,Cervonyl carnitine Esi+8.762968 :1,471.3355,8.762968,0.620367054,0.636032649,0.544954242,0.795489155,0.317987074,0.631055056,0.55827345,-0.385244844,-0.336653905,-0.443212982,-0.454375594,-0.314882673,-0.298726153,-0.441026632
2950,C27 H47 N O2,"(16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl)-2'-methoxyethylamine",434.3857,5.6350074,0.91187923,1.072813922,0.678372558,0.961548276,0.8557167,0.787229927,1.049191874,0.255155542,0.336423617,0.158204155,0.250279612,0.259464641,0.232267343,0.269912408
2951,C41 H77 O10 P S2,C41 H77 O10 P S2,824.4683,14.268011,0.062873968,0.129829042,0.457193569,0.084736928,0.105186431,0.133517342,0.094536592,0.135088908,-0.039348871,0.343190118,0.154272033,0.086914783,0.12818467,0.139540324
2952,C40 H54 O3,Adonixanthin/ 4-Ketozeaxanthin,581.4032,13.889963,1.079610321,1.034631566,1.165971494,1.03368125,1.068633242,1.098687573,1.112936166,0.608077785,0.624954164,0.587944562,0.631297831,0.558228019,0.659546702,0.574893878
2953,C22 H44 N6 O4 S2,C22 H44 N6 O4 S2,520.2848,7.4420104,0.150194208,0.241635297,0.653151764,0.096400296,0.348849394,0.091615645,0.308661898,-0.137738746,0.106463848,-0.429068156,-0.065191368,-0.263173574,0.044724167,-0.255379308
2954,C17 H34 O,3-Ethylpentadecan-2-one Esi+11.1389885,271.2872,11.1389885,0.557008264,0.866262649,0.019811141,0.806979359,0.333171256,0.725347845,0.435217762,-0.131251871,-0.238612003,-0.003173116,-0.171667647,-0.071421514,-0.188040096,-0.09463841
2955,C26 H44 O9,Mupirocin Esi+7.22701,522.2751,7.22701,0.911188178,0.744212103,0.98258046,0.599736104,1.069962761,0.642960414,0.978047812,0.953398444,0.772756382,1.168901254,0.736440362,1.225066831,0.721834961,1.102695952
2956,C30 H52 O10,C30 H52 O10,572.3615,13.583007,0.613032757,0.640419849,0.476673498,0.460755923,0.726160779,0.503884737,0.611599322,-0.349418908,-0.434091354,-0.248406166,-0.171919123,-0.600402061,-0.276467822,-0.396453161
2957,C22 H45 N O2,Eicosanoyl-EA,355.344,12.230973,0.076887384,0.004310258,0.219042981,0.057736954,0.181365695,0.01563031,0.146411499,0.05476599,0.013099436,0.104473457,0.042762859,0.087133204,-0.053386538,0.124495909
2958,C16 H35 N4 O,C16 H35 N4 O,299.2822,11.173012,2.309144019,2.337898653,2.153536551,2.455345318,2.140544904,2.212604677,2.318944605,-2.256763518,-2.392606538,-2.094705179,-2.290634707,-2.194424592,-2.2515469,-2.260126865
2959,C51 H97 O13 P,PI(22:0/20:1(11Z)) Esi+12.826978,965.6856,12.826978,0.084668056,0.014167036,0.338950407,0.041117297,0.201067708,0.204243331,0.11901976,0.105131832,0.054423252,0.165626278,0.133054949,0.042319522,0.193664455,0.048051587
2960,C22 H42 O6 S,Butyl oleate sulfate,451.2988,11.118983,1.65107909,1.686657589,1.614826195,1.686422601,1.57365537,1.745429899,1.611758449,0.929371539,0.981023332,0.867751858,0.964793441,0.851165483,1.009303677,0.877836345
2961,C30 H44 O5,21-Hydroxyisoglabrolide Esi+7.2590075 :1,506.306,7.2590075,0.49022805,0.790327268,0.026251789,0.502376093,0.262785552,0.766748488,0.241936734,0.181150282,0.352290331,-0.023016795,0.235053556,0.084330952,0.362437901,0.064267475
2962,C29 H51 N12 O4,C29 H51 N12 O4,630.4164,13.160965,1.492010606,1.364106581,1.610383034,1.511152218,1.368878944,1.453760232,1.509662817,0.915649287,0.892345456,0.943450348,0.947651366,0.852673152,0.946766075,0.895587147
2963,C17 H33 N O5,C17 H33 N O5 Esi+5.942994,331.2334,5.942994,0.153358573,0.007170856,0.377749163,0.331722175,0.065701915,0.204036499,0.350570852,-0.25310751,-0.023424475,-0.52711534,-0.363021404,-0.111280242,0.01711785,-0.427331754
2964,C19 H40 O4,C19 H40 O4 Esi+14.204035,332.2924,14.204035,0.315526565,0.552661752,0.069719857,0.463725216,0.118403864,0.546432991,0.138675186,-0.260261425,-0.437242142,-0.049126535,-0.416725392,-0.063254435,-0.493130635,-0.110122065
2965,C31 H39 N5 O5,Ergocornine,578.3271,15.188978,1.347978176,1.248412332,1.476566544,1.386910534,1.264486323,1.443013002,1.282635239,1.128966393,1.110968258,1.150437852,1.185255217,1.051296694,1.21478389,1.073636691
2966,C24 H40 O9,C24 H40 O9,472.267,10.266996,1.896620951,1.874216545,1.85787087,1.895878133,1.847215416,1.829989261,1.918453067,3.360831493,3.228030697,3.519260513,3.355279317,3.3418733,3.343136322,3.372240222
2967,C10 H7 N3 S,Thiabendazole,201.0395,4.333996,0.048217003,0.112572558,0.007120322,0.061771938,0.154637446,0.317352242,0.139362602,0.055120773,0.149511587,-0.057485812,0.081564997,0.002207964,0.335177219,-0.125441936
2968,C16 H44 N23 O P,C16 H44 N23 O P,604.412,13.18196,1.414391385,1.088725801,1.832323583,1.145235497,1.753636452,1.241745053,1.576175277,2.13000542,1.721919286,2.616845019,1.8164667,2.537315001,1.857981417,2.305389318
2969,C36 H62 O10,Notoginsenoside R9 Esi+13.979984,654.439,13.979984,1.205388749,1.194878079,1.140533403,1.173933532,1.120634027,1.108348855,1.236781942,0.872599308,0.913874012,0.823359311,0.892774769,0.828925664,0.876273,0.870230744
2970,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.470973",441.3285,9.470973,0.289042863,0.515983931,0.032258553,0.334200033,0.223720277,0.278321956,0.322525178,-0.251111459,-0.424970919,-0.043700174,-0.224668449,-0.251699243,-0.24448215,-0.255385619
2971,C12 H18 O7,Dikegulac,296.0869,3.898007,0.055051459,0.004131654,0.023106681,0.221941642,0.167783513,0.385888638,0.195999471,0.052895733,0.033657282,0.075846867,0.106467354,-0.032911534,0.1769139,-0.027063349
2972,C40 H64 O5,"DG(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]",641.5067,15.459973,0.722653854,0.721814155,0.540207363,0.596921476,0.709866265,0.626403966,0.644444642,-0.305160159,-0.37636624,-0.220212554,-0.261662156,-0.371724287,-0.274373386,-0.325009526
2973,C12 H16 O7,Arbutin,272.0894,13.862042,1.229643215,1.604697607,0.798566147,1.392484829,1.129784621,1.510284183,1.155781131,-0.712648917,-0.918593925,-0.466960135,-0.710895947,-0.692735622,-0.739561885,-0.695297135
2974,C14 H24 O4,Monomenthyl succinate Esi+11.326999,256.167,11.326999,0.830777264,0.718321144,0.820016143,0.754448068,0.799948698,0.516870963,0.888138453,-0.805272122,-0.782353302,-0.832613872,-0.693803524,-0.967110373,-0.582645905,-0.948807446
2975,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+8.719978 :1",410.2861,8.719978,0.792997479,1.001003906,0.495700234,0.765459621,0.695499326,1.049772259,0.593636408,0.343822683,0.517722056,0.136363781,0.375963142,0.273442272,0.51522335,0.233314358
2976,C32 H32 O16 S4,TS-TM-calix(4)arene Esi+13.083007,799.0495,13.083007,0.151215901,0.25349744,0.141923802,0.221423779,0.074187147,0.091602657,0.047055489,0.003255677,-0.048546791,0.065055113,0.014501835,-0.028972326,0.039495815,-0.020109675
2977,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+10.875982,660.4516,10.875982,0.924760535,0.878418197,0.909738833,1.1517397,0.639653354,0.887728506,0.863993104,-0.567803574,-0.570432635,-0.564667152,-0.602151642,-0.547950395,-0.480582393,-0.624038283
2978,<none>,<none> Esi+12.107979,714.4671,12.107979,2.127802888,2.140829737,2.036833699,2.137084219,2.001065964,2.109736732,2.054708024,1.82852686,1.972011992,1.657351615,1.870260801,1.736546637,1.996241553,1.720395018
2979,C11 H15 N8,C11 H15 N8 Esi+5.8660045,259.1442,5.8660045,0.221625274,0.391834947,0.016857496,0.466039491,0.006903238,0.013796441,0.340407976,-0.149021192,-0.295302984,0.02549042,-0.266982387,-0.009371697,0.058814508,-0.283020524
2980,C21 H22 Cl F N4 O2,Halopemide Esi+5.145009,416.143,5.145009,0.227724453,0.313281289,0.034614265,0.288655663,0.140562792,0.17082375,0.173981727,-0.196583291,-0.406897276,0.054317605,-0.212981497,-0.195948103,-0.287596506,-0.137903717
2981,C13 H4 O22 P,C13 H4 O22 P Esi+13.116962,542.8922,13.116962,0.57400404,0.648834748,0.363858845,0.702270941,0.371035364,0.56049356,0.475859724,-0.188008901,-0.227704972,-0.140652185,-0.175232652,-0.216999449,-0.152181486,-0.211108156
2982,C36 H44 N4 O,Manzamine A Esi+10.170001,548.3523,10.170001,0.821460274,0.946842785,0.682030398,0.89109603,0.597656561,0.95785002,0.740790765,0.405855025,0.519773995,0.269951692,0.469989942,0.287557198,0.522730394,0.330501168
2983,C14 H29 Cl N3 O12 S3,C14 H29 Cl N3 O12 S3,562.0611,13.677982,0.359446644,0.212657103,0.689280339,0.376173585,0.45555153,0.503259676,0.343892743,0.168245884,0.122606344,0.222693055,0.17785308,0.142309862,0.215219491,0.137960269
2984,C28 H24 O17,8-C-Ascorbylepigallocatechin 3-gallate Esi+10.499016,649.1299,10.499016,0.757970624,0.722922833,0.759207545,0.792609872,0.72768788,0.861104736,0.684153401,0.872667342,0.90277713,0.836746894,0.902277185,0.799177924,0.991555365,0.796015854
2985,C18 H28 N6 O6,Arg Tyr Ser,424.2075,9.824976,0.055679437,0.081553734,0.224685833,0.048089431,0.071585218,0.064723549,0.049366092,0.221481865,0.046329911,0.430435073,0.32357686,0.090141818,0.261984095,0.195368585
2986,C44 H83 O12 P,PI(P-20:0/15:1(9Z)) Esi+9.170009,856.5358,9.170009,0.434253178,0.600172833,0.230246706,0.409320442,0.358108137,0.743272846,0.250247089,0.220906079,0.33501687,0.084773908,0.288944427,0.102596579,0.431547171,0.085098007
2987,C32 H58 O6,C32 H58 O6 Esi+14.957019,538.4233,14.957019,1.584977492,1.751785838,1.4073304,1.655760789,1.569514572,1.692008963,1.538856491,-1.339929486,-1.605722259,-1.02284337,-1.317467662,-1.394803435,-1.374477352,-1.317655203
2988,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+8.719978 :2",427.3112,8.719978,0.62755798,0.626064859,0.609545894,0.7226081,0.552744367,0.603651074,0.539088417,-0.3796842,-0.329233744,-0.43987071,-0.401228445,-0.374103426,-0.332960955,-0.409808398
2989,C45 H82 N O10 P,"PS(17:1(9Z)/22:2(13Z,16Z))",826.5548,16.311022,0.091775255,0.118972244,0.043266194,0.094264363,0.038626063,0.122449319,0.168385322,0.009402508,-0.024128173,0.049404023,0.068528779,-0.06120857,0.217975508,-0.125072188
2990,C24 H52 N9 O3 S2,C24 H52 N9 O3 S2,578.3656,9.590986,0.375462097,0.489037343,0.16519177,0.301605774,0.373190928,0.512455385,0.309751977,0.147792997,0.259461378,0.014574577,0.160049185,0.10563934,0.271313057,0.068155063
2991,C37 H52 O5,C37 H52 O5,576.4044,15.105971,0.604232257,0.366835536,0.781906009,0.615189981,0.511326072,0.600812592,0.492580781,-0.429068076,-0.303664848,-0.578671926,-0.436493903,-0.450053311,-0.472567658,-0.401022293
2992,C36 H66 O6,C36 H66 O6 Esi+16.03497,592.4776,16.03497,1.34122866,1.398948439,1.162927705,1.419914158,1.181954705,1.440464734,1.186070187,-1.642044642,-1.791106387,-1.464216595,-1.660591965,-1.632591532,-1.787834743,-1.548048392
2993,C27 H35 N5,GANT 61,429.2862,11.150969,1.583643391,1.595808063,1.347995421,1.666155841,1.263845662,1.571934586,1.441442209,1.101376142,1.187777774,0.998300512,1.183457865,0.954643087,1.206594456,1.033538019
2994,C8 H14 O3,Propyl levulinate,158.0943,3.8649933,0.587933284,0.560707581,0.599410251,0.422309134,0.785406833,0.62360214,0.613869522,0.458317682,0.403831574,0.523318653,0.406887143,0.573823733,0.46375022,0.454815125
2995,C20 H O17 P S,C20 H O17 P S,575.8674,9.604003,0.524079567,0.660447318,0.272499033,0.400048269,0.5052112,0.620538616,0.413017149,0.224562373,0.345237547,0.080599007,0.216182759,0.212456221,0.341776587,0.14899005
2996,C25 H53 N O7 P,PC(16:0/O-1:0) Esi+13.666014,527.3842,13.666014,0.337831694,0.419146203,0.083177808,0.399663375,0.21609285,0.163523128,0.298282997,-0.116674232,-0.149062095,-0.07803608,-0.076779519,-0.186435403,-0.008178508,-0.186625423
2997,C11 H14 O5,Dihydrosinapic acid Esi+4.831991,226.0813,4.831991,0.218554828,0.099520763,0.298485798,0.037908631,0.372147381,0.206676007,0.218169384,0.132179152,0.109010689,0.159818723,0.080456894,0.194864186,0.173949065,0.105248551
2998,C8 H12 O4,Diethyl fumarate,172.0735,4.044995,0.635298361,0.52351978,0.563703275,0.316857171,0.844006772,0.706140939,0.507216731,0.567698639,0.559353775,0.577653915,0.340876431,0.885159073,0.730798677,0.462542035
2999,C47 H83 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) Esi+8.655022",418.7827,8.655022,0.566790683,0.474669604,0.737188575,0.738069454,0.333911611,0.431714479,0.564147948,-0.292238194,-0.211896188,-0.388084798,-0.317366693,-0.278120619,-0.176059503,-0.367142877
3000,C24 H35 N7,NSC 23766,443.2725,6.2349877,1.176112747,1.038728669,1.403636344,1.265984728,1.124559004,1.062987185,1.232779418,-0.80578758,-0.638747309,-1.005063693,-0.77650505,-0.857010744,-0.661003004,-0.89913553
3001,C22 H4 N2 O21,C22 H4 N2 O21,631.9304,14.059025,1.83380469,1.929872775,1.883039241,1.847256361,1.976900065,1.994903726,1.877414338,0.995802943,1.048758365,0.932628055,0.998371787,0.984513017,1.050992806,0.960220006
3002,C32 H56 N5 O2 P,C32 H56 N5 O2 P,573.4074,9.538983,0.908535265,0.856085713,0.918188172,0.94873983,0.841498986,0.712949017,1.023185641,-0.574395512,-0.559886455,-0.591704562,-0.53345731,-0.651237137,-0.390881527,-0.692713738
3003,C26 H38 N13 O3,C26 H38 N13 O3,580.322,12.145016,2.237070314,2.104525234,2.390070797,2.258134109,2.279190052,2.127208958,2.330291341,2.612989629,2.450350663,2.807015062,2.554174607,2.66476843,2.54958379,2.653869709
3004,C35 H58 N4 O3 S,Arachidonic Acid-biotin Esi+9.083007,631.4499,9.083007,0.75431586,0.70379547,0.823818811,0.884573074,0.564015842,0.801575431,0.679015651,-0.509865427,-0.445385682,-0.586788632,-0.556922537,-0.466445174,-0.45756984,-0.543582319
3005,C36 H62 O9,Ginsenoside F1 Esi+10.910982,638.4387,10.910982,0.867070966,0.943371484,0.749237603,0.954506739,0.707376513,0.704379662,0.909001421,-0.489191785,-0.514467413,-0.459038405,-0.498899628,-0.495264995,-0.358009397,-0.573769904
3006,C27 H40 O6 S,29-demethylgeodisterol-O-sulfite,492.2534,6.3979864,0.474232158,0.145790899,0.848970875,0.390364263,0.657947459,0.128944919,0.651034234,-0.334051592,-0.081516478,-0.635321552,-0.234153369,-0.492601162,-0.063978983,-0.508177352
3007,C15 H20 N2 O7,Ser-Ile-OH,340.1297,10.027996,0.721931143,0.891379974,0.388330254,0.72362203,0.618591138,0.681948863,0.686635993,-0.712210423,-0.952073191,-0.426058349,-0.693101929,-0.687216567,-0.755303599,-0.684426665
3008,C23 H32 O,"(11Z)-8,18-propano-retinal",324.2404,7.808993,0.133558307,0.18008598,0.02463518,0.11512248,0.077286856,0.300004078,0.023773339,0.152848908,0.200595984,0.095887483,0.136028728,0.156952017,0.273670456,0.074950804
3009,C31 H46 O10,Oscillatoxin A Esi+13.206036,578.3071,13.206036,0.223186042,0.422293474,0.061717545,0.173705381,0.281552465,0.068655179,0.315994507,-0.210322419,-0.398861164,0.014600996,-0.130669324,-0.280120745,-0.126334105,-0.264472779
3010,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.004985,468.2324,10.004985,1.065199594,0.887222801,1.318583093,1.031279766,1.119140845,1.091351709,1.059929481,1.458846699,1.269865934,1.684297436,1.446391605,1.474716004,1.458451288,1.459101635
3011,C13 H15 N O,(E)-1-Cinnamoylpyrrolidine,201.1148,5.655018,0.611824363,0.797653115,0.17308778,0.646427048,0.525735126,0.621742238,0.466787947,-0.195666529,-0.353433808,-0.007452933,-0.195448249,-0.201809724,-0.227980947,-0.174832233
3012,C42 H80 Cl2 N S2,C42 H80 Cl2 N S2,732.5102,13.289006,0.5969561,0.735696061,0.248278322,0.740462575,0.317681218,0.586655811,0.450338032,-0.224935986,-0.297220021,-0.138702399,-0.218065107,-0.246336949,-0.19074391,-0.246980877
3013,C21 H39 N O5,N-palmitoyl glutamic acid,385.2827,9.576009,0.896448392,0.891474732,0.839179952,0.964880663,0.820392266,1.045174223,0.820466951,0.697645596,0.765670968,0.616492521,0.744051211,0.625336116,0.824895871,0.615602656
3014,C30 H52 N3 O5,C30 H52 N3 O5 Esi+15.187989,534.3898,15.187989,1.547840394,1.761135019,1.224910164,1.600290058,1.545285112,1.468954916,1.545396136,-1.143233007,-1.456237809,-0.769823769,-1.024646704,-1.316808264,-0.946167013,-1.270288714
3015,C10 H18 N5 O19 P5,adenosine 5'-pentaphosphate Esi+13.066967,683.9543,13.066967,1.4725231,1.449412869,1.541642583,1.405487282,1.519753966,1.44219224,1.532113252,0.817987552,0.842279971,0.789007122,0.817727599,0.802461937,0.835887121,0.806447041
3016,C12 O17 P S5,C12 O17 P S5,606.7469,12.435038,0.199873543,0.105526409,0.374217709,0.189285854,0.245767409,0.14618339,0.29081308,0.14683995,0.108822538,0.192194057,0.164018527,0.10839576,0.130913916,0.157108051
3017,C25 H37 N O2,UCM707 Esi+8.774013,383.2872,8.774013,0.652793466,0.561763048,0.625472812,0.749722897,0.402288005,0.643870861,0.509090198,-0.552448107,-0.451990144,-0.672292695,-0.545407343,-0.576971563,-0.465541052,-0.608480287
3018,C44 H79 O10 P,"PG(20:0/18:4(6Z,9Z,12Z,15Z)) Esi+13.083007",798.5488,13.083007,0.532388263,0.622510625,0.217215219,0.616829214,0.26085931,0.44926304,0.414249951,-0.180580898,-0.246583258,-0.101841241,-0.169531828,-0.213434109,-0.140390416,-0.206493183
3019,C37 H58 O10,cimicifoetiside A,662.4015,15.25197,0.490176148,0.300190247,0.644283409,0.372857385,0.49139133,0.556553192,0.406235607,0.727191691,0.621164643,0.853680098,0.773020698,0.651629883,0.967061978,0.572538479
3020,C16 H30 N7 O,C16 H30 N7 O,336.2457,9.587994,0.778282189,0.607937428,0.732352925,0.559179355,0.866700161,0.700217379,0.729047727,-0.511097926,-0.414589519,-0.626230762,-0.35859134,-0.743187259,-0.44718203,-0.552306859
3021,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+5.9620023",226.1202,5.9620023,0.21001645,0.096988942,0.330830787,0.272589134,0.089719148,0.162911624,0.227697656,0.149018001,0.046560162,0.271248406,0.202031149,0.102837856,0.183160783,0.127004892
3022,C38 H67 N7 O5 P S2,C38 H67 N7 O5 P S2,796.4371,13.927982,0.292728509,0.045713821,0.719758693,0.32703024,0.306513421,0.281272201,0.337562438,0.280890689,0.086277789,0.513060464,0.308675339,0.225388104,0.235861438,0.309922706
3023,C12 H22 O5,Dibutyl malate Esi+7.0770183,246.1474,7.0770183,0.148603678,0.190354048,0.004937086,0.288741126,0.027756918,0.306628542,0.023272178,0.231510388,0.374974355,0.060360393,0.57212133,-0.287546182,0.528560026,0.039991543
3024,C35 H58 N4 O5 S,Prostaglandin A1-biotin Esi+7.178983,668.395,7.178983,0.648897527,0.9102753,0.228574332,0.647142324,0.462739711,0.904479567,0.421320654,0.256373139,0.41854046,0.062910371,0.301563321,0.17086413,0.440666893,0.137552166
3025,C27 H42 N4 O4,Hovenine A,486.3193,12.927001,0.559696399,0.502163151,0.624584697,0.63262699,0.406651828,0.542869704,0.548022887,0.476770021,0.477814835,0.475523575,0.542100141,0.367073664,0.485901821,0.470882412
3026,C28 H38 N8 O4,Hordatine A,550.2946,7.0269847,0.30776738,0.090725271,0.775030408,0.178812753,0.504867758,0.056315435,0.499087394,-0.198771404,0.044164757,-0.488589981,-0.103847038,-0.351457219,0.035581829,-0.349867567
3027,C37 H67 O10 P,"PG(18:3(9Z,12Z,15Z)/13:0) Esi+14.548028",701.4356,14.548028,1.719484722,1.764260503,1.469194419,1.810489228,1.484193038,1.668227413,1.634893116,-1.472584584,-1.677948576,-1.227588944,-1.517855865,-1.431097642,-1.473423899,-1.472043446
3028,C16 H10 O23 P,C16 H10 O23 P Esi+13.763975,600.9335,13.763975,0.335830668,0.390326647,0.082267123,0.446531468,0.135820104,0.192449269,0.287008791,-0.090207606,-0.115211422,-0.060378493,-0.071762504,-0.130211558,-0.004040335,-0.145762821
3029,C16 H26 O2,"(E)-2-Hexenyl (E)-7,9-decadienoate",250.192,15.737044,1.650538836,1.760360856,1.385270677,1.671903454,1.552827309,1.650134294,1.597662677,-1.403677477,-1.631088358,-1.132380285,-1.35982555,-1.481096429,-1.29914185,-1.471075447
3030,C28 H49 Cl N2 O,C28 H49 Cl N2 O,464.3532,13.892029,0.18507649,0.075187533,0.333927725,0.020638991,0.398309594,0.090447936,0.277023229,0.136309427,0.127804299,0.146455896,0.061743388,0.247377435,0.124649715,0.143826873
3031,C37 H41 N2 O6,Tubocurarine,608.2903,8.551019,0.150873482,0.028906582,0.342451999,0.011989317,0.266265094,0.042257395,0.23455456,0.137473169,0.026998958,0.269266965,0.032482611,0.273018569,0.046123539,0.196369641
3032,<none>,<none> Esi+14.333007,754.0343,14.333007,0.123192466,0.163202065,0.005498741,0.123173423,0.08922645,0.030170436,0.101244118,-0.040532482,-0.074552378,5.27E-05,-0.013472176,-0.044827831,-0.001476188,-0.065713513
3033,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+5.86901 :1",298.1395,5.86901,0.784957621,0.75495012,0.617067755,0.595923103,0.854056325,0.839917741,0.685990237,0.651800919,0.697152913,0.597696787,0.560888853,0.767985276,0.808736194,0.550618966
3034,C43 H75 O7 P,"PA(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.688985",733.517,9.688985,0.6636267,0.561819779,0.724495435,0.757154129,0.51051395,0.539332045,0.655061898,-0.40943958,-0.364405155,-0.463164859,-0.389752122,-0.456861723,-0.283867638,-0.490400437
3035,C12 H20 N2 O7,Deoxyfructosazine,304.1284,5.7640033,1.580706603,1.515644884,1.416258857,1.506113842,1.478977307,1.407714139,1.548812145,1.548130834,1.726058514,1.335866234,1.636936737,1.476322497,1.575727376,1.530338327
3036,C18 H19 N O27 P,C18 H19 N O27 P Esi+12.058025,711.9886,12.058025,0.549129325,0.419844073,0.613570811,0.420118883,0.496537575,0.536385116,0.48088309,0.545993899,0.461718388,0.646533105,0.552891607,0.511088369,0.668031495,0.467311765
3037,C34 H54 O11,"26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi+11.150968",655.3934,11.150968,0.04856575,0.314137771,0.810019536,0.019237915,0.268850402,0.039884071,0.212897439,0.086189244,-0.083663223,0.288820257,0.070785091,0.105719935,0.025476304,0.125333112
3038,C23 H40 O6,3-methoxy Limaprost Esi+14.326972,434.2644,14.326972,0.617912286,0.401107156,0.750871281,0.461519573,0.681683115,0.520739164,0.673420683,0.51541746,0.41335447,0.637176818,0.445749838,0.609990078,0.448443384,0.558598115
3039,C47 H69 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",792.464,14.113023,0.196544437,0.366461902,0.136297728,0.181275165,0.156575445,0.115530798,0.175574876,-0.122776436,-0.37101959,0.173373291,-0.091174327,-0.196610947,-0.114176491,-0.128321138
3040,C35 H46 O4,(-)-Neolinderatin Esi+11.9199915,547.3713,11.9199915,0.847030891,0.63848003,1.21088629,0.89477179,0.830361809,0.87268056,0.865065183,0.784112804,0.633479911,0.963815202,0.803703543,0.734751031,0.764699008,0.796629593
3041,C9 H10 O2,2'-Methoxyacetophenone Esi+4.8360066,150.0678,4.8360066,0.377939285,0.32730465,0.557551274,0.10848247,0.660477404,0.525996345,0.312901345,0.403988688,0.315030761,0.510113934,0.326268887,0.491647358,0.563154455,0.301368654
3042,C19 H30 O8,Sonchuionoside C Esi+8.984007,386.1944,8.984007,0.342744498,0.252935815,0.26916913,0.159922882,0.29656326,0.581249496,0.024173215,0.317559735,0.273498935,0.370123497,0.335849958,0.271218804,0.567303576,0.15654068
3043,<none>,<none> Esi+13.610035,576.7363,13.610035,0.372855472,0.222267761,0.721933922,0.351483657,0.51121537,0.497365413,0.3763068,0.189622041,0.152022096,0.234478116,0.194193466,0.169579787,0.237818836,0.158547792
3044,<none>,<none> Esi+11.298013,384.7581,11.298013,1.280971132,1.422627073,1.178309972,1.279054138,1.326961452,1.27576849,1.372147833,0.726335455,0.867894574,0.55745791,0.731227179,0.689034541,0.756508344,0.706881883
3045,C26 H39 N3 O7,HMB-Val-Ser-Leu-VE,504.27,13.868967,1.217856461,0.933097821,1.536639969,1.148411914,1.285966909,1.180472442,1.255991452,1.024942623,0.868064404,1.212095585,0.992190981,1.07143875,0.97036925,1.060128086
3046,C47 H72 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",826.5253,10.576002,0.80155378,0.820901913,0.720488186,0.903188353,0.553153788,0.959396353,0.686821926,0.465794194,0.526411856,0.393478386,0.55918983,0.302617778,0.617561156,0.367944442
3047,C33 H58 O6,Cholestanyl glucoside Esi+13.423026,572.4114,13.423026,0.314893798,0.482453865,0.202883028,0.143930163,0.431492555,0.5390352,0.226549898,0.165114035,0.29629342,0.008619331,0.162200323,0.159791465,0.307551439,0.073279394
3048,C17 H19 N O3,(-)-Morphine Esi+10.479985,285.1364,10.479985,0.069763197,0.130056527,0.041714984,0.26468219,0.117526987,0.089085419,0.014104651,0.091615774,-0.003219252,0.204752297,0.059727287,0.143881605,0.068977454,0.106211533
3049,C21 H38 O7,Erythronolide B Esi+12.600986,424.2438,12.600986,2.201172925,2.096974402,2.523506425,2.142638744,2.509480892,2.022497558,2.419197325,2.622993792,2.190805693,3.138586611,2.373980382,2.995860081,2.205805974,2.891970148
3050,C24 H5 N2 O19 P,C24 H5 N2 O19 P,655.9228,11.217022,1.586567579,1.649862614,1.505272429,1.650364883,1.526244169,1.679402245,1.585303995,1.04697476,1.125600029,0.953176192,1.076696983,0.971475928,1.134733206,0.990393656
3051,C43 H83 O12 P,PI(P-20:0/14:0),821.5523,11.787023,0.282924158,0.266129896,0.145474112,0.205941717,0.170024745,0.076245893,0.318598803,-0.121239561,-0.110861902,-0.133619925,-0.06870454,-0.222803408,-0.01944105,-0.186872811
3052,C19 H48 Cl N16 O2,C19 H48 Cl N16 O2 Esi+13.018008,567.3878,13.018008,1.277311842,1.2285442,1.172503553,1.142444174,1.273843321,1.059607015,1.301280852,0.728220502,0.789365113,0.655276053,0.715723114,0.732351139,0.707226562,0.741756068
3053,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.530022",414.2253,9.530022,0.657967735,0.312761758,0.915995455,0.549984765,0.575443229,0.531999193,0.657591839,0.560612121,0.326503359,0.839899766,0.592724295,0.522250541,0.502894213,0.597824982
3054,C23 H36 N6 O5 S,Argatroban Esi+13.783992,508.2435,13.783992,1.550928279,1.229066801,1.832376521,1.377501661,1.681400667,1.404790626,1.607642236,1.492740035,1.293152215,1.730844802,1.390447366,1.637883295,1.361127218,1.577595667
3055,C18 H5 N4 O17 P S,C18 H5 N4 O17 P S,611.9097,12.894027,1.921251362,1.866658356,1.963144315,1.919976301,1.928138481,1.990542708,1.898647812,0.95847482,0.992369193,0.918039428,0.971966477,0.922866364,1.025264893,0.9154128
3056,C16 H41 N11 O2 P S,C16 H41 N11 O2 P S,482.2975,11.678973,1.781017837,1.915963119,1.622910607,1.877063046,1.696974396,1.902023199,1.709949972,1.360438905,1.440767716,1.264608043,1.360465997,1.337258695,1.410330287,1.328272093
3057,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+9.909012",342.2035,9.909012,0.47176389,0.184450675,0.614584596,0.26450746,0.536644325,0.091358628,0.582571629,0.441781465,0.272582199,0.643633221,0.439575287,0.478599807,0.276577805,0.548294351
3058,C15 H22 O4,"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1)",265.1443,9.139009,0.358601785,0.239212952,0.612632526,0.347815415,0.573504995,0.003918887,0.589582514,0.166637633,0.135712741,0.203530486,0.027707049,0.37200974,-0.131042418,0.358562929
3059,C30 H48 O10,Deoxycholic acid 3-glucuronide Esi+10.940991,568.3226,10.940991,1.633166217,1.527795674,1.756836184,1.571617007,1.654492742,1.495812252,1.744351605,1.729312871,1.652194545,1.821313682,1.738878434,1.689157747,1.792357204,1.688665867
3060,<none>,<none> Esi+6.48702,618.7439,6.48702,0.101041398,0.057802335,0.166879706,0.043160143,0.217024516,0.062195946,0.212825239,0.128639728,0.072647685,0.195437254,0.04554476,0.252117569,0.016093903,0.201202168
3061,C24 H25 N O,"N,N-Didesmethyltamoxifen",343.1899,10.673006,0.310054152,0.066750964,0.660481106,0.153477255,0.437070073,0.274327834,0.365224613,0.374056529,0.192656961,0.590463031,0.380695937,0.370272799,0.373743058,0.374258635
3062,C19 H33 Cl2,C19 H33 Cl2,330.1976,9.49501,1.843448709,1.649400562,1.961235757,1.647024108,2.007704844,1.623261422,1.956651651,2.168254112,2.001706544,2.366942438,2.035383773,2.330016802,1.98035512,2.289399514
3063,C41 H78 N O11 P,"1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(succinyl)",808.5498,13.797046,1.242102822,1.173825662,1.349250517,1.223558561,1.176770982,1.400524583,1.16310648,0.830273274,0.852842452,0.80334864,0.860225098,0.75713703,0.990964653,0.726669622
3064,C22 H50 N21 P,C22 H50 N21 P,639.4292,9.599017,0.954400009,0.884811979,1.039009286,1.128715174,0.724254889,0.826441182,0.979637096,-0.528846833,-0.488020137,-0.577552366,-0.56616289,-0.494185416,-0.422139036,-0.597645282
3065,C16 H28 O7,"1,8-Epoxy-p-menthan-4-ol glucoside",354.1656,9.503013,1.317561369,1.154705671,1.649988799,1.101741942,1.775919471,1.207801162,1.44989867,1.484177253,1.244333587,1.770306539,1.157135073,1.961477367,1.20549964,1.663850978
3066,C12 H22 N O7,C12 H22 N O7,292.1369,6.3480144,0.054973873,0.024152637,0.075207701,0.162488031,0.111323391,0.072819444,0.050744236,0.062673044,0.123746067,-0.010186002,0.066120712,0.062737058,0.091947039,0.04379902
3067,C29 H46 N O4,Cervonyl carnitine Esi+11.992995,471.333,11.992995,0.931183504,0.898100022,0.825250965,0.912627257,0.746527804,0.927304846,0.78820678,-0.708377478,-0.732375671,-0.679748053,-0.714496753,-0.671973221,-0.763852355,-0.67261078
3068,C12 H20 O7,Triethyl citrate,276.1222,8.110988,0.46495034,0.652678494,0.148045725,0.556151672,0.162945076,0.900551998,0.088207565,-0.555660291,-0.768816012,-0.301369256,-0.73573554,-0.241161972,-0.995312111,-0.272200566
3069,C36 H64 O11,Vinaginsenoside R12,694.4268,14.56004,0.202973638,0.028753014,0.427174016,0.18715297,0.203446463,0.246585955,0.199249101,0.224133853,0.120450055,0.347826804,0.289533235,0.134577149,0.287889509,0.183028232
3070,<none>,<none> Esi+13.75902 :1,813.0663,13.75902,0.029740839,0.088161031,0.361875518,0.010163988,0.218328212,0.196471626,0.055630278,0.057900018,0.007024066,0.118594135,0.066076529,0.03252202,0.120643865,0.017446747
3071,C11 H2 O19 P S2,C11 H2 O19 P S2,532.8344,6.714994,0.96298429,0.74363916,1.135283799,0.655054642,1.256595823,0.727967195,1.020703034,0.736992892,0.473327807,1.051540713,0.509332944,1.045105042,0.485897421,0.898883393
3072,C25 H36 O8,Erinacine G,464.2421,14.573982,2.33038446,2.571334905,2.14342134,2.43014508,2.415330501,2.594362244,2.307617342,-3.510905125,-3.827102433,-3.133687284,-3.543544409,-3.449534654,-3.608723112,-3.447838265
3073,C27 H59 N28 O,C27 H59 N28 O,791.542,12.717026,0.41233222,0.508535468,0.118537128,0.547162321,0.110279819,0.371141809,0.287366889,-0.134470242,-0.201754502,-0.054201301,-0.14103338,-0.145067688,-0.100505383,-0.156368639
3074,C21 H40 N O4,cis-5-Tetradecenoylcarnitine Esi+10.806976,369.2867,10.806976,0.71841658,0.785912414,0.580898397,0.518660747,0.884443039,0.618343028,0.781340142,0.777146918,1.01172074,0.497304464,0.617354006,1.004260365,0.721763916,0.81285438
3075,C15 H26 O3,formyl 7-oxo-11E-tetradecenoate,254.1879,10.398999,0.47026523,0.429158349,0.604473425,0.48447228,0.611437171,0.394094356,0.548894816,0.131822936,0.093964517,0.176987366,0.111275389,0.165859141,0.08984204,0.158889567
3076,C24 H44 O7,2-Stearyl citrate Esi+14.008039,444.3113,14.008039,1.044066347,1.056012979,1.018280472,1.075147038,1.06834735,1.007959223,1.042308724,-0.733373917,-0.706219216,-0.765768998,-0.716260845,-0.760234525,-0.646340708,-0.789487433
3077,C9 H13 N,"(S)-(-)-N,alpha-Dimethylbenzylamine",118.0779,4.4470096,1.693739105,1.788233327,1.540313662,1.724046235,1.832297325,1.661878733,1.726821008,-0.569465498,-0.637489693,-0.488313827,-0.535904557,-0.613052573,-0.546589122,-0.58421474
3078,C36 H60 N2 O3 S,C36 H60 N2 O3 S Esi+13.760988,600.433,13.760988,0.260432823,0.364613777,0.041904117,0.367877055,0.043870841,0.173961216,0.168481691,-0.053601755,-0.098642296,0.000130822,-0.038900594,-0.087707895,0.011043818,-0.095281137
3079,C24 H40 O11,Blumenol C O-[apiosyl-(1-6)-glucoside],504.2633,14.218995,1.205755581,1.335344064,0.928633174,1.314142487,0.91720887,1.457124779,0.987969394,-1.513960768,-1.873425146,-1.085126071,-1.670916978,-1.272557776,-1.841768033,-1.302611346
3080,C18 H32 O3,12(13)-EpOME Esi+13.696031,296.2345,13.696031,0.919716648,1.080856133,0.547739326,0.634477275,1.076187662,1.017495597,0.775374987,-0.388190492,-0.464550973,-0.297093779,-0.310548384,-0.493137138,-0.461418447,-0.340977732
3081,C51 H91 N O17,C51 H91 N O17 Esi+14.391042,989.6287,14.391042,1.743300983,1.70539896,1.560891882,1.794163155,1.598144602,1.87207338,1.610244453,-1.554531825,-1.735998944,-1.338044735,-1.530251335,-1.598205091,-1.661817275,-1.485360943
3082,C39 H62 O5,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)",627.4917,14.900946,0.670968222,0.705188463,0.393606287,0.534515249,0.690893925,0.693871687,0.560520106,-0.416251836,-0.536841515,-0.272390464,-0.388027408,-0.465545288,-0.455572274,-0.390900501
3083,C34 H67 N O8 P,PC(12:0/14:1(9Z)) Esi+7.9909906,647.4447,7.9909906,0.591326079,0.564698153,0.638011687,0.773711397,0.32862169,0.884413164,0.376525319,-0.814602752,-0.710810396,-0.938425212,-0.999308088,-0.547921543,-1.031466985,-0.674782391
3084,C30 H58 N6 O4,C30 H58 N6 O4,566.4543,15.21197,0.87603388,0.830396318,0.849515352,0.738990677,0.914591856,0.728451112,0.862139647,-0.986013703,-0.929435646,-1.053510332,-0.7602978,-1.310412099,-0.893528161,-1.045642539
3085,C44 H75 Cl N6 O4 P,C44 H75 Cl N6 O4 P,817.5481,14.15095,0.369525374,0.636528546,0.117915881,0.468311227,0.144623569,0.358611655,0.287722653,-0.189605712,-0.399010573,0.060210612,-0.211692408,-0.16083105,-0.201255659,-0.182094563
3086,<none>,<none> Esi+5.76099,473.7121,5.76099,1.31697532,1.549234871,1.200866691,1.315384673,1.46833998,1.452216298,1.356200618,1.169363957,1.325087883,0.983588046,1.113550195,1.247162975,1.198525712,1.150562299
3087,C17 H27 N O4,Metipranolol Esi+7.0629907 :1,309.1938,7.0629907,0.32644045,0.024060982,0.736182059,0.011774296,0.639840799,0.061255487,0.504379315,0.35645741,0.230716979,0.506463539,0.289159883,0.447805499,0.228559797,0.438917713
3088,<none>,<none> Esi+9.625,465.8024,9.625,0.643297493,0.777304909,0.385852847,0.520513862,0.616641082,0.724574253,0.55867991,0.272971894,0.387045542,0.136884033,0.258119348,0.266519676,0.367448188,0.212059547
3089,C35 H40 N4 O3,Bonafousine,564.3113,7.5310054,0.409839306,0.01838731,0.863011946,0.075713574,0.776382786,0.112989866,0.644257565,-0.288828859,-0.00303466,-0.629776325,-0.066385123,-0.619113664,0.043166092,-0.502878236
3090,C13 H16 N2 O5,Phenylalanyl-Aspartate,280.1044,3.908007,0.928063393,0.707501517,1.259004794,0.875862534,0.961794578,1.047661522,0.925458412,-0.986963871,-0.82420718,-1.181129749,-0.956515392,-0.999490339,-1.198545432,-0.850549444
3091,C37 H64 N O10 P,"PS(18:4(6Z,9Z,12Z,15Z)/13:0)",712.4212,7.239992,0.76363169,1.018381391,0.313992796,0.748334252,0.561573914,1.00769887,0.506666966,0.304942052,0.481356557,0.094482642,0.347807213,0.221870781,0.502897126,0.177313122
3092,C51 H97 O13 P,PI(22:0/20:1(11Z)) Esi+12.836978,970.641,12.836978,0.923783175,0.858704129,1.070629414,0.934556327,0.858004681,1.033876704,0.909438946,0.624601491,0.625154776,0.623941432,0.675235296,0.524780771,0.747968474,0.545062253
3093,C8 H10 O,2-Phenylethanol Esi+7.7170153,122.0734,7.7170153,0.078832749,0.274336439,0.05051951,0.18006345,0.171233419,0.092004266,0.265665287,-0.034004942,-0.118701346,0.067036383,-0.000865494,-0.090846834,0.071149104,-0.101801629
3094,C14 H18 O4,Helinorbisabone,250.118,5.8790174,0.195736873,0.415256667,0.284339637,0.364265399,0.047935248,0.674036256,0.266171055,-0.053246147,-0.190748748,0.110792045,-0.10427577,0.029552317,-0.257068967,0.078165935
3095,C23 H45 N13 O15,C23 H45 N13 O15 Esi+5.263993,743.3149,5.263993,2.208886151,2.19086104,2.268341426,2.283827008,2.265950504,2.204353923,2.291440922,3.372141163,3.438857489,3.292549756,3.291882501,3.466448964,3.610658759,3.218360081
3096,C38 H78 N3 S5,C38 H78 N3 S5,736.48,11.971991,1.097880649,0.94280844,1.561124662,0.959801575,1.426052347,1.3149362,1.036661833,1.120870639,1.000513787,1.264454252,1.071329523,1.145939197,1.215208351,1.06004764
3097,C12 H18 N2 O3 S,Tolbutamide,270.1076,5.958007,0.194373983,0.088384332,0.564728591,0.154146431,0.315402088,0.001852813,0.358713102,0.077801758,-0.010316609,0.182925425,0.088631778,0.069826178,0.018749762,0.115874756
3098,C21 H32 O4,9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one,365.2568,9.449977,0.148854903,0.081868115,0.276409871,0.069241934,0.319185254,0.192925869,0.22049653,0.130275571,0.136785873,0.122508895,0.092985132,0.15964696,0.118600448,0.137802953
3099,C30 H44 O6,Ganolucidic acid A,500.3112,10.9650135,1.223759243,1.284605035,1.158611047,1.287349639,1.064148988,1.341145952,1.172711653,0.637162641,0.709158831,0.55127245,0.692508083,0.528880249,0.738392918,0.571895752
3100,C12 H22 S2,Dicyclohexyl disulfide Esi+1.110996,230.1154,1.110996,0.937470787,1.102263309,0.399136522,0.848641954,0.852921005,0.911538105,0.848700285,1.033407455,1.439529351,0.548911158,1.127403465,0.888376499,1.099397219,0.990861423
3101,C24 H41 N3 O3,N-oleoyl histidine,441.293,8.28501,0.875064812,1.048629975,0.656142364,1.048824113,0.565725881,1.337044517,0.565674036,-0.842396417,-0.946738175,-0.717918531,-1.043935209,-0.563331048,-1.092609701,-0.681074695
3102,C32 H59 N O10,C32 H59 N O10,615.4322,14.10699,0.797527811,0.746248285,0.910032705,0.848187587,0.703497847,0.995387776,0.670431123,0.512616989,0.486323553,0.543984596,0.550071563,0.452519623,0.682426252,0.403134701
3103,C16 H26 O5,Tetranor-PGD1,298.1763,8.640997,1.235257725,1.086519139,1.099326246,1.032799094,1.182120448,0.934778088,1.2547434,1.466679726,1.397141132,1.549638048,1.357099933,1.611782647,1.293703245,1.578204036
3104,C23 H53 N15 S2,C23 H53 N15 S2,603.4103,13.874019,1.852828266,2.012598572,1.66039577,1.944178122,1.803798386,1.851543761,1.92684892,1.731637069,1.911553968,1.516999365,1.784856818,1.629295582,1.71559724,1.741978538
3105,C23 H9 N4 O19 P,C23 H9 N4 O19 P,675.9594,11.174003,0.223876933,0.341450859,0.128640664,0.262484937,0.090515667,0.203540975,0.124456419,-0.025030184,-0.103632204,0.068740647,-0.00446715,-0.080674682,-0.002591258,-0.039497386
3106,C12 H17 Cl N9 O10 P S,C12 H17 Cl N9 O10 P S,545.0261,12.254964,1.639752256,1.590519749,1.827755777,1.602127031,1.72855189,1.579097928,1.782044043,0.867480951,0.884284992,0.847434024,0.866982141,0.846340928,0.854234497,0.876021428
3107,C25 H42 O8,C25 H42 O8 Esi+13.959975,470.2907,13.959975,0.403800985,0.278534442,0.527337491,0.390473303,0.403116582,0.447216509,0.385960651,0.279606713,0.207018311,0.366203402,0.253268095,0.323189367,0.284528916,0.276433187
3108,C20 H22 O5,"1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol Esi+13.056961",364.1285,13.056961,0.248831919,0.206537663,0.285962362,0.153548001,0.226460043,0.372459607,0.142880162,-0.113849802,-0.091069013,-0.141026883,-0.133216433,-0.077730272,-0.163719533,-0.081696949
3109,C32 H52 O5,22-Acetylpriverogenin B Esi+15.597972,516.3787,15.597972,1.679461987,1.690845194,1.575697964,1.699907918,1.510993765,1.768737729,1.542720855,-1.563391288,-1.773590248,-1.312627615,-1.662404668,-1.390100631,-1.715849126,-1.465096102
3110,C10 H20 O3,Hexyl (R)-3-hydroxybutyrate,210.1231,5.64299,0.325896945,0.133776723,0.4640369,0.042941265,0.497546682,0.205588357,0.313250763,0.341103261,0.11568958,0.610017828,0.16321429,0.590345472,0.279419655,0.380872954
3111,C31 H61 N O4 P S,C31 H61 N O4 P S,574.4029,14.444027,0.5238573,0.332246603,0.9135403,0.637050015,0.485751821,0.615868243,0.571884346,0.460874003,0.342189574,0.602462444,0.485915037,0.405523967,0.48135161,0.447671334
3112,C10 H16 O5,C10 H16 O5 Esi+4.7869906,216.0994,4.7869906,1.109533395,1.060081239,1.120165841,1.299506018,0.838417637,1.120229251,1.06783432,0.866411308,0.866090445,0.866794091,1.054809993,0.615845716,0.920683865,0.831419791
3113,C37 H48 N2 O8,Cytotrienin A Esi+10.024008,648.3421,10.024008,0.812739421,0.961102981,0.496838907,0.75499925,0.788102212,0.690947668,0.820379134,-1.171630961,-1.508223131,-0.770082407,-1.03605078,-1.274306391,-1.121222657,-1.204131051
3114,C44 H77 N O16,C44 H77 N O16,875.524,11.124018,0.458515999,0.129679182,1.088846515,0.398356116,0.633342178,0.327944978,0.624786033,0.260763386,0.109864353,0.440783284,0.261559564,0.261141758,0.201543085,0.298944896
3115,C25 H47 N17 O,C25 H47 N17 O,601.4158,13.166014,0.91354308,0.954327364,0.727353717,1.032526768,0.732483114,0.779416907,0.914739012,-0.583433941,-0.564792446,-0.605672919,-0.635628329,-0.53416689,-0.50742796,-0.632437798
3116,C23 H47 N8 O,C23 H47 N8 O,451.3863,14.979984,1.18308903,1.210699707,0.938802933,1.105792473,1.138356785,1.245017773,1.068162072,-0.701980401,-0.806101459,-0.577765806,-0.664514916,-0.755189171,-0.731941761,-0.682663209
3117,C18 H24 N4 O,Granisetron,312.1928,9.380002,1.966065798,1.781965544,1.91216218,1.777695536,1.97339288,1.650353947,2.012814505,2.698514008,2.554075677,2.870826403,2.51538312,2.948919512,2.553299569,2.792139107
3118,C39 H71 O7 P,"PA(P-18:0/18:3(9Z,12Z,15Z))",704.4781,10.799,0.883808848,0.76418327,1.007074963,1.009480159,0.657120307,0.685439586,0.911532397,-0.447016789,-0.380247324,-0.526671589,-0.46430447,-0.444213883,-0.296077971,-0.544332606
3119,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+15.2939625",574.4586,15.2939625,1.403300021,1.474307715,1.128714655,1.420548062,1.217190174,1.260747088,1.398372744,-1.154847874,-1.361231094,-0.908636314,-1.193033325,-1.103174267,-1.113297129,-1.18163717
3120,C15 H23 N O2,Nupharidine Esi+9.159018,249.1698,9.159018,0.16574346,0.359065075,0.012176181,0.17989206,0.063671,0.454437121,0.001957024,-0.220414416,-0.277293473,-0.1525587,-0.340948754,-0.04863093,-0.46151833,-0.06496584
3121,C40 H73 N O8 P,"PC(14:0/18:4(9E,11E,13E,15E))",725.5027,12.916993,0.458402437,0.582339238,0.136172426,0.594958465,0.194647818,0.437520503,0.324233837,-0.152635127,-0.219059395,-0.07339214,-0.143962568,-0.177969166,-0.118107128,-0.1748966
3122,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid Esi+16.345963,542.4008,16.345963,0.512872572,0.56977309,0.386901417,0.558371998,0.418287085,0.571961621,0.391229698,-0.462232477,-0.612435218,-0.283043243,-0.493450713,-0.424999455,-0.554725342,-0.402598919
3123,<none>,<none> Esi+8.18701,947.0727,8.18701,0.193787944,0.169670675,0.527861031,0.339359842,0.203640538,0.159251751,0.285637437,-0.054603715,-0.069708262,-0.036584256,-0.137319014,0.058731021,-0.078143941,-0.039426464
3124,C27 H37 F O6,? Methasone valerate,476.2586,7.3520184,0.152400025,0.169060608,0.477011477,0.100109225,0.192435073,0.158583182,0.233944879,-0.124897109,0.08624398,-0.376784724,-0.09652191,-0.192237294,0.082521695,-0.258627653
3125,C30 H47 N O4 S,Retapamulin Esi+11.336025,517.3188,11.336025,1.857337522,1.980661798,1.642542946,2.007164794,1.680321496,1.911998849,1.798836865,-2.595141272,-2.94108482,-2.182436688,-2.647733687,-2.48460495,-2.726923499,-2.510176414
3126,C26 H44 O8,Goshonoside F2 Esi+14.231987,501.3304,14.231987,0.308322879,0.43462371,0.212284477,0.436757189,0.18131664,0.264016044,0.336784925,-0.18782862,-0.290093682,-0.065828195,-0.256705482,-0.085740674,-0.182871085,-0.191024925
3127,C45 H85 O13 P,PI(18:0/18:1(9Z)),886.5466,8.676019,0.548760989,0.790350903,0.131982499,0.571789105,0.303273278,0.910254802,0.249086629,0.261294889,0.427633304,0.062856079,0.348308943,0.110013198,0.51586529,0.097163973
3128,C8 H14 N2 O5 S,?-Glu-Cys,250.0611,5.316001,0.249220533,0.38546819,0.091288643,0.371877778,0.280716686,0.310934951,0.21553593,-0.183885224,-0.30480956,-0.039624612,-0.210195837,-0.162038485,-0.225715781,-0.156915522
3129,C29 H48 O7,"3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid",508.3346,14.808039,0.767954189,0.496811156,1.056473015,0.63005659,0.829136679,0.775754432,0.729987533,0.5082123,0.402200294,0.634682764,0.472968977,0.551969561,0.539829804,0.48782733
3130,C23 H3 N2 O18 P,C23 H3 N2 O18 P Esi+12.309016,625.9123,12.309016,1.487945369,1.481464295,1.56746122,1.498564629,1.486889934,1.524910418,1.540051173,0.77758949,0.803645125,0.746505576,0.804465686,0.71896977,0.82929635,0.744252173
3131,C18 H15 O4 P,Triphenyl phosphate,326.0699,12.461979,0.621703288,0.631761725,0.514198219,0.756286979,0.319677784,0.569985619,0.562488195,-0.273430092,-0.284844104,-0.259813375,-0.326381143,-0.207890729,-0.280831934,-0.268657851
3132,C42 H74 N O9 P,"PS(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+11.985025",766.504,11.985025,1.169961419,1.164043591,1.179573571,1.172828096,1.062135095,1.276946356,1.113666682,0.710736425,0.747900463,0.66640038,0.767541968,0.602376231,0.839135431,0.627952856
3133,C18 H34 N7 O,C18 H34 N7 O,364.2811,11.490983,0.352321073,0.3408588,0.311106028,0.163158512,0.542303727,0.401451381,0.310994711,-0.277017657,-0.252954965,-0.305724026,-0.179235264,-0.428238682,-0.286511158,-0.270896847
3134,C13 H7 N3 O19 P S,C13 H7 N3 O19 P S Esi+13.472971,571.9127,13.472971,0.402431659,0.527641244,0.077002483,0.557713644,0.150093124,0.383350236,0.270809516,-0.125878329,-0.175630763,-0.066524549,-0.123582297,-0.140961211,-0.084391454,-0.152626446
3135,<none>,<none> Esi+11.49299,504.679,11.49299,0.195586208,0.091295628,0.388474402,0.048742137,0.350823942,0.196525799,0.221743522,0.142308218,0.115623233,0.174142937,0.115387981,0.154091703,0.174556632,0.121516478
3136,C17 H35 N5 O4 S,Lys Met Lys Esi+6.425012,405.2414,6.425012,0.347100257,0.361362211,0.335818249,0.349170452,0.320611314,0.122216361,0.553522988,-0.411930938,-0.335293769,-0.503357736,-0.41694036,-0.439359536,0.070553864,-0.723006665
3137,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+13.902032",375.311,13.902032,1.027149996,1.096714243,0.743918081,0.806795486,1.098284486,1.07343098,0.922491272,-0.727094671,-0.816667587,-0.620235755,-0.650263417,-0.82270071,-0.823856074,-0.66470903
3138,C35 H72 Cl2 O3 P,C35 H72 Cl2 O3 P,641.4629,11.060036,0.34282999,0.323484863,0.249432437,0.297663288,0.338633062,0.226476658,0.368537624,-0.143969622,-0.123826902,-0.167999533,-0.107943575,-0.218460301,-0.094984314,-0.175552254
3139,<none>,<none> Esi+12.650957,549.6975,12.650957,1.779818693,1.776961555,1.918221359,1.820211882,1.804292243,1.857896069,1.848060012,0.926025406,0.972417997,0.870679858,0.957997621,0.860120182,0.998639385,0.879208498
3140,C19 H40 N2 O2,C19 H40 N2 O2,328.3087,10.741967,0.777060937,0.940392559,0.362775652,0.68706775,0.657388464,0.853431728,0.60024673,-0.277856155,-0.358813752,-0.181275162,-0.263700077,-0.296450812,-0.321669557,-0.24960804
3141,<none>,<none> Esi+14.730971,849.2434,14.730971,0.543561046,0.343133956,0.70427179,0.602954987,0.383110997,0.42047605,0.532395443,0.505177082,0.296602735,0.75400262,0.528744862,0.459098345,0.358323532,0.599858977
3142,C18 H2 N2 O19 P,C18 H2 N2 O19 P,580.8997,10.854985,0.119689122,0.021519116,0.321939441,0.03867878,0.254854463,0.267992129,0.103198638,0.067828592,0.046292282,0.093521032,0.053998657,0.060621025,0.165099375,0.005114535
3143,<none>,<none> Esi+8.734995,495.8131,8.734995,0.271308929,0.50858777,0.062128538,0.103857052,0.419623675,0.358811143,0.174809105,0.090820102,0.247516147,-0.096115532,0.022808341,0.165614603,0.171424026,0.038851782
3144,C45 H79 O7 P,"PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+15.665027",762.5587,15.665027,0.414626027,0.592491663,0.068023105,0.531255813,0.259641825,0.676317922,0.153212364,-0.121307225,-0.21267374,-0.012308575,-0.147001527,-0.096147889,-0.223919089,-0.055149576
3145,C5 H8 Cl N O2,2-Amino-4-chloro-4-pentenoic acid,148.0154,16.301022,1.608825025,1.721578179,1.57899473,1.743354348,1.553164046,1.864731479,1.515660722,-1.162785207,-1.2726573,-1.031709727,-1.204128026,-1.100783701,-1.244182217,-1.110305556
3146,C25 H46 O7 P2,dolichyl diphosphate,520.2644,11.302001,1.955062224,1.738962907,2.186315673,1.892953314,2.056073715,1.840588913,2.040956272,2.605897089,2.395158562,2.857304454,2.464074558,2.806399789,2.423397585,2.723561243
3147,C20 H35 N5,C20 H35 N5,345.2876,10.053976,0.564402212,0.54442434,0.611271068,0.598502831,0.636844878,0.708500102,0.549408798,0.469156316,0.48293976,0.45271291,0.435576988,0.510031937,0.489385045,0.45611411
3148,C40 H70 N O8 P,"PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+12.154034",722.4777,12.154034,1.083019629,1.073365992,1.142021075,1.092075318,0.974801153,1.219676192,1.037911646,0.614555903,0.648524878,0.574031511,0.656810866,0.526252143,0.741509832,0.532704027
3149,C9 H8 O2,Cinnamic acid,148.0521,11.60203,0.9305294,1.038957957,0.558851687,0.954486948,0.820537227,0.975644445,0.841978551,-0.505518403,-0.693417655,-0.281357893,-0.524972664,-0.491634183,-0.519191919,-0.496702584
3150,C15 H26 O4,Ethylene brassylate Esi+8.821021,270.1844,8.821021,0.027442325,0.208849165,0.108249926,0.107905769,0.046678823,0.088507115,0.105135641,0.037935998,0.108685814,-0.046467291,0.015768408,0.067422652,-0.009397965,0.068453948
3151,C38 H72 N O9 P,PS(P-18:0/14:1(9Z)),717.502,13.691964,0.195150434,0.271398671,0.063955876,0.232400905,0.114359331,0.440676771,0.030685867,-0.122311694,-0.130706726,-0.112296569,-0.076397973,-0.111968797,-0.231267803,-0.052063677
3152,C36 H63 N5 O6,C-12 NBD-dihydro-Ceramide,661.4744,13.725027,0.400113743,0.145340112,0.829565856,0.430695941,0.383143737,0.361802538,0.471774699,0.345778878,0.186459219,0.535844437,0.348052025,0.334500318,0.271736924,0.393516454
3153,C29 H38 F3 N3 O2 S,Fluphenazine enanthate,566.2852,12.571027,2.156172442,1.951205388,2.235909728,2.062173805,2.172846242,1.972496993,2.193436354,3.117828689,2.911780654,3.36364038,3.003257292,3.273273223,2.940481464,3.232170979
3154,C26 H42 N5 O2 S,C26 H42 N5 O2 S,488.3049,15.247018,2.300155774,2.46950096,2.184777034,2.477768458,2.358063068,2.581986882,2.301252301,-2.995739457,-3.354813678,-2.567370211,-2.816859754,-3.234744888,-3.082122179,-2.940045334
3155,C31 H40 O4,4-O-alpha-Cadinylangolensin Esi+8.767981,476.2928,8.767981,0.423620386,0.652131057,0.110132621,0.553253799,0.223288354,0.932000242,0.120023786,0.19851564,0.351680117,0.015793106,0.282010134,0.063995389,0.471756314,0.022347311
3156,C25 H52 N O6 P,PE(P-20:0/0:0) Esi+10.131007,492.345,10.131007,0.788455746,0.766012294,0.80432144,0.991471614,0.545443184,0.874514229,0.702202936,-0.625553538,-0.577144249,-0.68330497,-0.674125578,-0.5744378,-0.593603813,-0.646152703
3157,C25 H40 N26 P,C25 H40 N26 P,735.3663,5.291,1.760485116,1.698108723,1.857659981,1.718034926,1.951135601,1.810226221,1.876307602,1.530142468,1.426456048,1.653838549,1.301598255,1.817718519,1.58391883,1.495470867
3158,C13 H24 O5,C13 H24 O5 Esi+7.9079843,260.1613,7.9079843,1.150714107,1.083278796,1.202113452,1.242997467,0.98416346,1.396292068,0.911975235,1.291007261,1.308382533,1.270278866,1.381316175,1.184766322,1.514219326,1.147094219
3159,<none>,<none> Esi+13.351016,557.7236,13.351016,0.040758475,0.08371962,0.354752751,0.007692911,0.264147707,0.134679021,0.083891969,0.069278451,0.016204877,0.132594295,0.069275513,0.059555921,0.104504564,0.046566879
3160,C45 H79 O10 P,"PG(17:1(9Z)/22:4(7Z,10Z,13Z,16Z))",404.7669,7.802985,0.438220293,0.353294544,0.651154979,0.549030191,0.3198775,0.347197741,0.495780064,-0.273944709,-0.177124503,-0.389449516,-0.299169256,-0.263833064,-0.165208124,-0.344051192
3161,C53 H78 O11 S,C53 H78 O11 S,922.5257,14.083986,0.927496259,0.898068983,0.732405825,0.844032031,0.851162298,0.67116691,0.956240756,-0.640662426,-0.746972941,-0.513835847,-0.54684631,-0.790792099,-0.528042254,-0.713272801
3162,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z)) Esi+8.777988",537.3611,8.777988,0.951366908,0.952217506,1.004814839,1.130794078,0.711626253,0.960246672,0.919256273,-0.530944333,-0.454346611,-0.622324072,-0.588571826,-0.46619073,-0.449094834,-0.583715721
3163,C48 H82 N O9 P,"PS(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",847.5649,14.312989,1.252696153,1.357475688,1.003085456,1.378854206,0.987258358,1.366426449,1.114751374,-1.041756903,-1.292201366,-0.742981052,-1.079760762,-0.985480565,-1.134818246,-0.981756827
3164,C25 H57 N15 O7,C25 H57 N15 O7,679.4555,12.274984,0.788718797,0.829096332,0.595611669,0.850081274,0.52522946,0.984451428,0.565995913,0.736359577,0.807113466,0.651951429,0.855775339,0.543503299,1.002688389,0.56464758
3165,C39 H67 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)",726.4555,13.521977,0.238427544,0.23560299,0.144079806,0.207188899,0.306312377,0.131833616,0.318984644,-0.058068731,-0.105618486,-0.001342707,-0.028552351,-0.115568471,-0.003625242,-0.093170454
3166,C19 H31 N O4,C19 H31 N O4,337.2246,8.31201,0.265249262,0.083493601,0.444914735,0.060858623,0.749273037,0.204130106,0.537588141,0.256851795,0.215336272,0.306379087,0.08040985,0.540435774,0.043081254,0.394677539
3167,C27 H50 O5,C27 H50 O5,454.3652,14.617975,1.365565611,1.432880989,1.083065257,1.332280881,1.237400403,1.160418865,1.354431482,-0.883820911,-1.029917375,-0.709530393,-0.774895158,-1.049501437,-0.642397293,-1.039475613
3168,C34 H42 O4,Flavidulol C,514.3143,11.756021,0.148405819,0.156939302,0.006861831,0.036237006,0.218543516,0.125369641,0.118802391,-0.10059991,-0.11454121,-0.083968184,0.054131754,-0.308115778,-0.088604273,-0.108333939
3169,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+8.532985",360.1786,8.532985,0.686090119,0.605146351,0.64967546,0.630640241,0.627577924,0.133365992,0.88889927,-0.582123236,-0.527011496,-0.647870575,-0.489117301,-0.726933832,-0.158851715,-0.85502198
3170,C12 H16 N10 P,C12 H16 N10 P,331.1307,6.1379843,0.902740736,0.882488466,0.832366469,0.762785205,1.003113528,0.747264585,0.985742225,0.697015805,0.71561181,0.674831097,0.639455491,0.760319325,0.729945044,0.675785111
3171,<none>,<none> Esi+13.783991,908.1265,13.783991,0.413679338,0.396884878,0.244180599,0.424256392,0.168429485,0.182124698,0.46953777,-0.09555937,-0.123366462,-0.062385996,-0.078068379,-0.137856988,-0.015483943,-0.147186947
3172,C41 H56 O2,Vitamin K2,602.4105,10.022974,0.95958496,0.96951424,0.800051337,1.147015547,0.618066018,0.985115671,0.767876883,-0.538850443,-0.537561728,-0.540387857,-0.602139061,-0.444834622,-0.500483789,-0.563586838
3173,C31 H56 N7 P,C31 H56 N7 P,557.4311,15.134021,2.084403506,2.106233324,2.055970993,2.118612451,2.096671204,2.059673005,2.132919355,-1.983122966,-2.116333624,-1.824204988,-1.974791768,-2.005362541,-1.969284962,-1.992044838
3174,C33 H53 N O6,gamma-Chaconine Esi+8.844977,559.3878,8.844977,0.483010605,0.387410714,0.679225538,0.610682123,0.312166285,0.350975606,0.497961107,-0.361210848,-0.268759237,-0.471503998,-0.379784399,-0.365334007,-0.196156128,-0.467627707
3175,C7 H14 O7 S,C7 H14 O7 S,242.0454,3.7919953,1.199799616,1.190346802,1.140619775,0.94981306,1.45911174,1.17630643,1.202681168,0.648589342,0.633134048,0.667027236,0.514758205,0.854802677,0.6206213,0.666621369
3176,C28 H51 N O7 P,"LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+12.8920145",521.3499,12.8920145,1.527483805,1.527013073,1.427775301,1.387254246,1.583255343,1.457271545,1.525159085,-1.75855549,-1.723234743,-1.800692521,-1.587922112,-2.003545365,-1.555406233,-1.8895333
3177,C24 H30 O7,Mammea E/BB Esi+10.793968,452.1812,10.793968,0.123978911,0.073080446,0.016616126,0.291784603,0.498460773,0.240883133,0.216456465,-0.014799218,-0.016625118,-0.012620952,0.112537517,-0.208192184,0.083463699,-0.078152942
3178,C24 H37 N15 P,C24 H37 N15 P,564.3277,13.057001,1.36955844,1.422387308,1.311850003,1.405076646,1.411522345,1.239368764,1.530808339,-1.181400501,-1.328469538,-1.005949719,-1.202244425,-1.189831383,-1.052210565,-1.264694012
3179,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+12.900956 :1,611.4124,12.900956,1.836961558,1.725430881,1.784717115,1.70677551,1.800073339,1.640021222,1.857086786,1.190532871,1.224323588,1.150221138,1.181348653,1.18646878,1.160647196,1.209801267
3180,C15 H32 O6,C15 H32 O6,308.226,7.728019,0.01546415,0.062269558,0.045909794,0.096006322,0.052038164,0.006779766,0.000718811,-0.009176699,-0.016354109,-0.000614175,-0.013608461,-0.015630002,-0.003976818,-0.012529253
3181,C50 H89 N O17,C50 H89 N O17 Esi+14.391042,975.6126,14.391042,0.9706065,1.059577198,0.570073058,0.993257319,0.69409168,0.799647055,0.89791767,-0.954897419,-1.180049442,-0.686295006,-0.934547332,-0.995139039,-0.85906177,-1.016686193
3182,C23 H35 N7 O4,Ile Arg Trp,490.3009,11.11302,0.636528167,0.927016037,0.03569973,0.711451188,0.432836539,0.74479661,0.48419407,-0.216790926,-0.399498834,0.001176403,-0.239533226,-0.178033117,-0.298037023,-0.164408574
3183,C19 H26 O6,Millefin Esi+10.829999,350.172,10.829999,1.64432754,1.443577003,1.883583172,1.690127707,1.630682637,1.659367452,1.636628207,1.261302489,1.064576902,1.495992664,1.281082403,1.243992699,1.26865247,1.256563686
3184,C33 H45 N18 P,C33 H45 N18 P,724.401,13.264973,0.962096702,0.785804125,1.105740754,1.014341708,0.858946543,1.070276142,0.817579871,1.113974607,0.933029424,1.329839036,1.234842337,0.921602034,1.2521126,1.024911954
3185,C33 H42 O4,Kolanone Esi+12.056967,502.3081,12.056967,2.278942381,2.208853914,2.138753999,2.316416632,2.092241511,2.185866379,2.21830618,-2.382101044,-2.573850715,-2.153347049,-2.308865293,-2.485250007,-2.351923928,-2.401557342
3186,C45 H73 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",772.5098,12.760009,0.303158404,0.54225061,0.094898962,0.334504783,0.33240731,0.60133452,0.191021544,0.303881025,0.494238701,0.076787657,0.343504675,0.236773498,0.519693342,0.164738873
3187,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+14.737043",280.2399,14.737043,1.569267801,1.712180572,1.241833714,1.599222964,1.459193533,1.656647768,1.424568651,-1.335335485,-1.557905431,-1.069813445,-1.324299494,-1.364593458,-1.380371391,-1.306299177
3188,C20 H40 N4 O10,G-418,513.2982,6.6400123,1.434400386,1.437962129,1.469266795,1.350182632,1.590716004,1.369215322,1.447219214,1.124123428,0.908074994,1.381865419,0.937434655,1.374057008,0.871899082,1.286741756
3189,C14 H40 Cl N12 O,C14 H40 Cl N12 O Esi+8.724007,427.3115,8.724007,0.267298867,0.391912742,0.062517363,0.297319953,0.197189314,0.347862596,0.195983336,0.26844006,0.41269272,0.096349167,0.21817519,0.308166401,0.310392729,0.241391629
3190,C32 H38 O21,Quercetin 3-sambubioside-3'-glucoside,780.1884,14.799016,2.042970652,2.161659794,1.769417656,1.907008821,2.17891092,2.166471255,1.966052096,3.174565546,3.440204596,2.85766282,2.919538021,3.51329319,3.180201246,3.170932003
3191,C9 H19 N5 O3 S,Cysteinyl-Arginine,294.1443,6.8800044,0.687257383,0.658752504,0.68503971,0.567486307,0.693151454,0.581465955,0.658204273,-0.313219444,-0.248269392,-0.390703718,-0.309803806,-0.327097105,-0.254637463,-0.350989406
3192,C9 H Cl2 O15 P S4,C9 H Cl2 O15 P S4,577.7309,12.551021,0.211272384,0.238637015,0.028815764,0.342066852,0.057919694,0.372338605,0.034302166,-0.119859189,-0.138035218,-0.098175507,-0.150753648,-0.09747537,-0.206643134,-0.063906383
3193,<none>,<none> Esi+12.854984,596.7437,12.854984,0.989798838,0.921748941,0.986990257,1.044737246,0.882703976,0.929961122,0.994361631,-0.657398979,-0.604823082,-0.720121101,-0.668945601,-0.663222511,-0.622670398,-0.679789775
3194,C10 H12 O5,3-Hydroxy-4-methoxyphenyllactic acid,212.0658,4.1729884,0.344829352,0.131781675,0.533408761,0.015300916,0.682534764,0.192258128,0.493182841,0.303745252,0.118515468,0.524721134,0.091285767,0.623083195,0.189066209,0.377683055
3195,C45 H76 O10,"MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",798.5243,15.510009,0.126143554,0.037725594,0.207399431,0.134962061,0.096178506,0.269448547,0.071742409,0.165769011,0.109286202,0.233152011,0.216155748,0.09918357,0.296639609,0.081391915
3196,C47 H76 O11,"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol",816.5364,12.656986,1.243889265,1.158362967,1.442162107,1.259419002,1.277199001,1.287303036,1.303093025,0.630032773,0.621155991,0.640622618,0.637009305,0.599921783,0.670258333,0.604097872
3197,C32 H58 O6,C32 H58 O6 Esi+14.746029,536.4137,14.746029,1.594022425,1.741750137,1.470756391,1.74017926,1.508361986,1.700402456,1.538328117,-1.34489456,-1.519049228,-1.137131096,-1.242825652,-1.502320258,-1.255392481,-1.402599848
3198,C10 H16 N2 O2,Fasoracetam Esi+4.3209977,196.1203,4.3209977,0.118094672,0.135468755,0.007025688,0.169921957,0.063164974,0.147518126,0.031331818,-0.10589609,-0.143236096,-0.061350118,-0.132826306,-0.051138292,-0.135200369,-0.087002542
3199,C23 H36 N8 O4,Trp Lys Arg,488.2888,14.572018,0.169605187,0.119867364,0.127166708,0.157630382,0.104425471,0.021260524,0.19131358,-0.020511608,-0.038329004,0.000744233,0.020241085,-0.087142563,0.023363296,-0.048799375
3200,C19 O14 P S2,C19 O14 P S2,546.8469,9.157982,0.106439071,0.161652509,0.046966507,0.094281111,0.381932586,0.149376936,0.217213428,-0.087503083,-0.015655732,-0.173215711,-0.269104888,0.140075051,-0.277766099,0.035166493
3201,C10 H21 N,Isopentylideneisopentylamine,177.1515,7.836027,1.038295194,1.362394258,1.096846323,0.990923631,1.371180546,1.241878053,1.044987079,-0.766809599,-0.82402207,-0.698556126,-0.852724235,-0.653272978,-0.919312686,-0.668485241
3202,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.462978 :1,311.1519,11.462978,0.011416938,0.03526712,0.17431301,0.028597823,0.063250478,0.003161452,0.092606964,0.082850723,-0.006822126,0.18982886,0.148227307,-0.016186259,0.102431527,0.070226258
3203,C32 H52 N10 P,C32 H52 N10 P,607.4132,12.429994,0.17821736,0.162709193,0.172278843,0.405169944,0.131195247,0.25407577,0.114852616,-0.200683014,-0.093959595,-0.328002181,-0.388505362,0.054141998,-0.231511192,-0.180806952
3204,C17 H42 N11 O2 P,C17 H42 N11 O2 P,461.3357,10.560035,0.247020826,0.158453437,0.287646398,0.278777274,0.121497218,0.035373316,0.238532689,-0.09870418,-0.051181399,-0.155398023,-0.078392927,-0.147278034,0.023133171,-0.177257208
3205,C28 H59 N10 O2 S,C28 H59 N10 O2 S,599.4556,13.795967,0.065229835,0.009276209,0.061010611,0.038372469,0.062772709,0.082957525,0.022831353,0.077800164,0.092219125,0.060598596,0.156137659,-0.034796374,0.094944027,0.066746883
3206,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+9.566002,661.4555,9.566002,0.482742388,0.481716107,0.413025025,0.516186841,0.379032971,0.431898856,0.385610923,-0.246059857,-0.235639673,-0.258490954,-0.238600087,-0.285374238,-0.173606468,-0.292773226
3207,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.519021",705.4838,9.519021,0.25276865,0.139491654,0.340606373,0.267439902,0.192312544,0.004175896,0.31949996,-0.157619532,-0.044889485,-0.292104499,-0.109669869,-0.248580313,0.024496665,-0.275036553
3208,C20 H30 O4,"(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid Esi+10.974999",334.2113,10.974999,0.540605023,0.614610778,0.465698407,0.543203753,0.575415122,0.468504375,0.661077924,0.482849108,0.526541221,0.430725183,0.439850127,0.535867105,0.385671766,0.545502921
3209,C28 H37 N2 P,C28 H37 N2 P,432.2696,8.719978,0.589140974,0.78430467,0.284668109,0.571644205,0.517304383,0.560050758,0.559693322,0.271983233,0.433681636,0.079079874,0.296633167,0.237089306,0.314935859,0.244290092
3210,C15 H26 O5,C15 H26 O5 Esi+8.713004,286.1769,8.713004,0.610041059,0.549410285,0.658662574,0.564992841,0.625005548,0.61084806,0.567803701,0.340335617,0.298041898,0.390791282,0.318182325,0.367943822,0.350639955,0.333692031
3211,C25 H24 N2 O8,TyrMe-Tyr-OH,480.155,12.144026,1.502585834,1.447761816,1.584449579,1.684739867,1.298934108,1.609106955,1.461011812,1.25807276,1.1899304,1.3393654,1.382775317,1.099205386,1.266196294,1.252835218
3212,C16 H24 N6 O5,His Gln Pro,380.1807,7.1810217,0.41476999,0.243865586,0.516883832,0.188629576,0.550651521,0.219885778,0.48627856,-0.199873344,-0.149535106,-0.25992598,-0.120072155,-0.304871982,-0.131320579,-0.244071838
3213,C7 H10 O4,"xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one",158.0576,3.2069902,0.229436331,0.08767449,0.379204032,0.081339458,0.340178861,0.37477184,0.159377534,0.117565356,0.041446162,0.20837422,0.090766635,0.148075394,0.2411942,0.037857286
3214,C21 H30 O5,(R)-Humulone,362.2109,7.4160094,0.146633998,0.072368484,0.248577487,0.031102024,0.201402352,0.15622314,0.185577156,0.147602527,0.074719673,0.234550493,0.132035791,0.165984066,0.21015687,0.107271438
3215,<none>,<none> Esi+11.978022,391.7658,11.978022,1.732341439,1.680332629,1.837952266,1.696294546,1.688199783,1.770378922,1.743698036,0.874049598,0.91163484,0.829211064,0.906168881,0.806363218,0.95937367,0.819038025
3216,C19 H34 Cl N5 O5 P S4,C19 H34 Cl N5 O5 P S4,606.0871,13.479003,0.172654113,0.062267345,0.466902014,0.145581941,0.342860913,0.296515024,0.178821467,0.127379106,0.088327306,0.173967219,0.117945889,0.125287396,0.162342356,0.104837011
3217,C26 H46 O6,27-Norcholestanehexol Esi+15.110042,454.3265,15.110042,1.368652251,1.565790142,1.211176912,1.504987744,1.491311095,1.688209437,1.375516973,-0.755350594,-0.886324678,-0.599100809,-0.789244003,-0.722793828,-0.812045964,-0.718797
3218,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+12.897967,611.4114,12.897967,1.773439201,1.692006757,1.678758277,1.660987396,1.702649116,1.601234929,1.776404752,1.250699499,1.308643342,1.18157351,1.258181894,1.222470732,1.231888569,1.262827598
3219,C22 H25 F2 N O4,Nebivolol,422.2027,14.292987,1.340263406,1.353671866,1.020685386,1.278078253,1.13544731,1.235139224,1.208416161,-1.290482611,-1.383867501,-1.179076076,-1.315371992,-1.248606485,-1.319288913,-1.271910127
3220,C8 H12 Cl2 N4,C8 H12 Cl2 N4,234.0429,1.3039976,0.030898799,0.209531541,0.314321698,0.053048846,0.08890279,0.032075461,0.017121745,-0.035454642,-0.206371748,0.168446466,-0.021201787,-0.050925496,-0.055537856,-0.022506255
3221,C12 H16 O4,"3',4',5'-Trimethoxycinnamyl alcohol",224.1048,6.008015,0.125768966,0.185389153,0.039037449,0.275281683,0.012055181,0.121817988,0.295414636,-0.107592536,-0.146080039,-0.061677619,-0.0929805,-0.103527078,0.070145869,-0.222187033
3222,C23 H48 O6,C23 H48 O6 Esi+14.340032,420.3451,14.340032,0.92088952,0.859719221,0.887884086,0.915893569,0.832335563,0.781720863,0.898348201,0.647791514,0.641346867,0.655479864,0.688130374,0.572249493,0.607624074,0.673688943
3223,C34 H65 Cl N S2,C34 H65 Cl N S2,586.4199,15.628003,1.954815657,2.089896797,1.760661048,2.008098999,1.906047697,2.016213382,1.921745442,-2.36738975,-2.663847144,-2.01372128,-2.410750731,-2.339425435,-2.411926644,-2.338675174
3224,C44 H82 N5 O P S3,C44 H82 N5 O P S3,823.5407,13.072018,0.66420123,0.682035218,0.642240841,0.550363626,0.698915366,0.68621263,0.637203877,0.623491895,0.691950858,0.541821553,0.650722598,0.559623321,0.742598413,0.546699534
3225,C11 H16 O5,Propyl propane thiosulfonate,228.0988,6.4339914,0.104454545,0.026522057,0.438972676,0.382222526,0.018742386,0.212187281,0.151553391,-0.067416188,-0.210964675,0.103834638,-0.012919165,-0.137463481,-0.08385794,-0.056815585
3226,C34 H58 O6,Campesteryl glucoside Esi+15.035954,562.4204,15.035954,1.238534078,1.398196188,0.912560764,1.230135873,1.174741299,1.143341913,1.202931903,-1.389247761,-1.848676069,-0.84115785,-1.354553924,-1.460964839,-1.258211772,-1.473731491
3227,C30 H64 N13 O9,C30 H64 N13 O9,748.519,12.846984,0.458262546,0.346224349,0.676140347,0.469741819,0.435811489,0.56997647,0.4493807,0.285192787,0.255566803,0.320536066,0.322190951,0.215343448,0.362759836,0.235182452
3228,C56 H47 Cl3 N2 O2 P S,C56 H47 Cl3 N2 O2 P S,947.2153,8.18799,0.196959834,0.1700107,0.532015224,0.350106712,0.200118274,0.166782599,0.282687193,-0.048443473,-0.070572848,-0.022043518,-0.141812307,0.076456986,-0.081339897,-0.027233937
3229,C32 H50 O5,Tsugaric acid C Esi+15.198978,514.3637,15.198978,0.903172303,1.020659347,0.547425847,0.752951189,0.94175531,0.846592747,0.800825767,-0.426246518,-0.571684659,-0.252741367,-0.282729571,-0.633563203,-0.423351805,-0.428112845
3230,C37 H67 O8 P,"PA(16:0/18:3(9Z,12Z,15Z)) Esi+13.520016",669.4533,13.520016,1.294181127,1.297932585,1.392464097,1.260836709,1.342549938,1.309955191,1.375427095,0.602536522,0.629479236,0.570394336,0.605334899,0.583818242,0.623853787,0.588792495
3231,C33 H63 Cl N P,C33 H63 Cl N P,539.4387,14.947999,1.037905853,1.088998991,0.798800828,0.939468621,1.043476104,1.092852948,0.943949415,-0.606705262,-0.724918707,-0.465678695,-0.577400169,-0.654352782,-0.633015099,-0.589742341
3232,C20 H16 O5,Musanolone D,336.0982,6.1459966,0.331749438,0.197444941,0.549460155,0.345576562,0.463585502,0.067912916,0.565836538,0.139195529,0.077317687,0.21301471,0.082670015,0.217703466,-0.000817499,0.229467087
3233,C19 H29 N O,Cycrimine,304.251,6.599984,0.839193898,0.955286652,0.637564672,1.013067963,0.638359191,1.01846162,0.656878928,-0.360653806,-0.433575012,-0.273660085,-0.401920856,-0.306306735,-0.475432427,-0.2866518
3234,C30 H54 O5,C30 H54 O5 Esi+15.364991,494.3968,15.364991,1.648378351,1.748978168,1.319637143,1.730740414,1.396093092,1.67673649,1.50699738,-0.99749762,-1.19454983,-0.76241779,-1.002965156,-0.978341307,-1.031296341,-0.975706339
3235,C23 H46 N O4,Pahutoxin Esi+12.617984,399.3343,12.617984,1.065129685,1.153838221,0.725313019,0.916741122,1.092447065,0.957531929,1.051276514,-0.691531353,-0.909561788,-0.431424869,-0.701423702,-0.701210173,-0.779104664,-0.635069613
3236,C41 H60 O,Dihydroanhydrorhodovibrine/ Dihydromethoxylycopene,568.4698,16.001968,1.041438551,1.125365941,0.890025501,1.014283698,1.019567959,1.044288191,0.977426437,-0.928096888,-1.047318858,-0.785867169,-0.928178994,-0.923491053,-0.951128925,-0.913247285
3237,C17 H40 N3 S2,C17 H40 N3 S2,350.2653,11.038012,0.005751362,0.098650257,0.263204416,0.102504035,0.04814123,0.070720628,0.024187793,0.015092588,-0.1309432,0.189310722,0.031827803,-0.033432671,0.040074371,-0.001014087
3238,C23 H48 N O6 P,PE(P-18:0/0:0),464.3139,8.31299,0.824847008,0.93127362,0.739922939,0.984588886,0.535039859,1.184223349,0.605498227,-0.666068621,-0.68929382,-0.638361367,-0.826053896,-0.435804718,-0.798119587,-0.580930498
3239,C44 H83 N O6 P S,Arachidonoyl thio-PC,806.5548,12.250982,0.293483635,0.379486823,0.138549167,0.397804643,0.089535492,0.281987651,0.222948685,-0.174288202,-0.306945949,-0.016029837,-0.256480526,-0.040563458,-0.227764779,-0.139809883
3240,C20 H41 N5 O9,Antibiotic JI-20B,512.3151,11.107002,0.558557659,0.876532532,0.129156311,0.604235505,0.376624095,0.653160959,0.410565233,-0.209711247,-0.396553124,0.013187835,-0.226377962,-0.178651844,-0.287504644,-0.159554978
3241,C25 H34 F2 O5,Tafluprost Esi+4.5460057,452.238,4.5460057,2.336844931,2.426917624,2.188847825,2.406859516,2.389193154,2.322501442,2.40720141,2.896776778,3.07339386,2.686075698,2.806384797,3.006714927,2.69579037,3.026360121
3242,C29 H58 O S2,C29 H58 O S2,486.3911,14.219975,1.290421255,1.336489039,1.050748817,1.209385191,1.256674833,1.189197347,1.248102454,-0.886915118,-1.055569869,-0.68571296,-0.826526338,-0.981189434,-0.812315812,-0.935012039
3243,C28 H52 O7,C28 H52 O7 Esi+15.210988,500.3636,15.210988,0.610439623,0.886948355,0.041377352,0.788068892,0.356121243,0.628769577,0.498270175,-0.279055754,-0.475414811,-0.044802843,-0.314551816,-0.258825349,-0.279055562,-0.279055877
3244,C12 H24 N O4,pivaloylcarnitine Esi+4.372003,245.1625,4.372003,0.662431358,0.643721167,0.464584462,0.715466062,0.52840448,0.599263497,0.620109609,0.642401647,0.91914298,0.312254091,0.835940214,0.423453258,0.820782679,0.527392823
3245,C22 H25 F2 N O4,Nebivolol Esi+13.468995,422.2026,13.468995,0.8804288,0.890583325,0.671748952,0.896255348,0.674946011,0.812646173,0.760908794,-0.831282631,-0.86809013,-0.787371931,-0.886680934,-0.757198609,-0.884259368,-0.797126577
3246,C18 H34 O3,12R-HOME(13Z) Esi+15.038031,298.2505,15.038031,1.710968563,1.766479769,1.478666697,1.649752131,1.632982346,1.608898225,1.665624173,-1.30951268,-1.504366376,-1.07705564,-1.299193311,-1.329383454,-1.187939242,-1.387895555
3247,C36 H54 O11,Prosapogenin Esi+6.422983,679.3993,6.422983,0.737584349,0.438448729,0.973761562,0.675388999,0.837992942,0.730279271,0.657170841,0.478764734,0.304612066,0.686525812,0.391796615,0.620257593,0.432347331,0.508691744
3248,C5 H15 N4 O3 P,N4-Phosphoagmatine Esi+6.043,210.0869,6.043,0.670876215,0.865561801,0.226713319,0.674013032,0.539186593,0.691507167,0.508161984,-0.372375833,-0.556443785,-0.152785995,-0.385554207,-0.317015657,-0.411538043,-0.347126513
3249,C12 H22 N O4,2-Ethylacrylylcarnitine,243.1465,4.124009,0.584197462,0.656317107,0.337512889,0.632364516,0.423437073,0.54686071,0.52576352,0.336155304,0.491714989,0.150575328,0.438291119,0.208279366,0.41563461,0.284912067
3250,C26 H56 N2 O7 P,Methylcarbamyl PAF C-16,538.3734,13.071028,0.300836463,0.233894548,0.335665943,0.218446194,0.366478411,0.425856284,0.19471062,0.26243046,0.321275422,0.192229453,0.249457252,0.262986963,0.503183412,0.107208163
3251,C29 H36 O8,Bisphenol A glycidylmethacrylate,512.2399,10.874017,1.544401173,1.34810796,1.534870325,1.451479447,1.393402607,1.376347597,1.488209858,2.907237154,2.731165147,3.11728797,3.009452946,2.736516121,2.943002382,2.884177994
3252,C26 H45 N O7,Tumonoic Acid H Esi+9.160002,491.8296,9.160002,0.242892695,0.21608737,0.39687671,0.418016315,0.06493384,0.248766836,0.242350098,-0.281148973,-0.195453258,-0.383382458,-0.388238272,-0.159904089,-0.229970967,-0.31414532
3253,C21 H28 N2 O3,WIN I(S),356.2104,7.2519855,0.726163385,0.932602118,0.356439856,0.709260461,0.533026001,0.989798528,0.469544661,0.285543356,0.432755722,0.109921586,0.327038689,0.205562889,0.481021678,0.15951128
3254,C21 H44 N10 O3,C21 H44 N10 O3,484.3578,14.836969,1.026673556,1.10749386,0.843924544,1.143605914,0.905060458,1.211435598,0.933618355,-0.612556177,-0.751367576,-0.446956612,-0.609368024,-0.617949216,-0.697679357,-0.557674126
3255,C41 H76 O12 S,SQDG(16:0/16:1(9Z)),407.2447,7.806022,0.337232923,0.561883576,0.038073868,0.376434272,0.223913271,0.669432005,0.065338914,0.151459694,0.315325242,-0.044029031,0.190466548,0.068572004,0.357173296,0.018828555
3256,C9 H18 O6,C9 H18 O6,222.1035,4.091003,0.69326753,0.789354056,0.506044448,0.651066235,0.642715269,0.377628904,0.797347321,-0.626764851,-0.674588507,-0.569712068,-0.577369061,-0.65880425,-0.374907521,-0.78914655
3257,C22 H26 O7,Clusin,424.1505,9.420999,1.139897843,1.100033661,1.146122219,1.020196952,1.341213906,1.122388781,1.223444938,0.876511622,0.828969794,0.93322819,0.803001685,0.984941552,0.85980136,0.887285344
3258,C29 H57 N8 O5,C29 H57 N8 O5,597.444,14.320015,0.659522889,0.3880613,1.09340781,0.872166851,0.575032595,0.404358782,0.894918536,0.342710728,0.219494027,0.48970609,0.367916974,0.300747499,0.203631371,0.432380313
3259,C7 H18 N9 P,C7 H18 N9 P,259.1432,0.87100136,0.349507255,0.415979468,0.14501077,0.512134238,0.027250696,0.644852339,0.08202776,-0.140683758,-0.118885194,-0.166689062,-0.208667375,-0.053984793,-0.310882706,-0.030950225
3260,C8 H6,C8 H6 Esi+5.5749936,102.0466,5.5749936,0.046714974,0.114664487,0.069677324,0.11171529,0.094820427,0.252305715,0.310585909,0.068479828,-0.001847903,0.152379576,0.025436004,0.142127849,-0.202436076,0.243149292
3261,C23 H45 N22 O3,C23 H45 N22 O3,677.4026,12.271977,1.109138681,1.150915149,1.102417781,1.14783003,0.992149964,1.267829052,1.065563085,0.640299935,0.704462985,0.563754542,0.694464483,0.535160674,0.780385919,0.54998134
3262,C32 H38 O14,3'-Prenylapigenin 7-[rhamnosyl-(1-6)-glucoside],646.2248,6.350992,1.722916431,1.632058584,1.633484661,1.648350541,1.635302353,1.453365845,1.758016815,-1.879624331,-1.865555892,-1.896407733,-1.727246051,-2.087816597,-1.721219235,-1.981753933
3263,C36 H54 O9,Ganoderic acid Mc,647.4086,7.6910143,0.97928113,0.805230438,1.184954953,0.97601106,1.002598429,0.719536556,1.101832373,-0.582524514,-0.429313401,-0.765302684,-0.512463449,-0.697137094,-0.380483435,-0.712787841
3264,C39 H75 O9 P,PG(P-18:0/15:1(9Z)),717.5016,15.370043,0.355576479,0.387111279,0.176962937,0.377348881,0.249160563,0.154735146,0.386236498,-0.180069981,-0.272276599,-0.070069103,-0.153286238,-0.205886653,-0.015012361,-0.28648871
3265,C20 H26 N6 O6,Trp Gln Asn,446.1919,9.871989,0.791916741,0.814904191,0.707686375,0.801784063,0.805007816,0.748856151,0.812714811,-0.762712088,-0.971062815,-0.514153326,-0.664812368,-0.904632978,-0.817168784,-0.72760185
3266,C18 H24 O8,"Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside",368.1438,9.040011,0.650482277,0.418112534,0.81146156,0.572434409,0.672627452,0.814138818,0.497695143,0.632576603,0.431960859,0.871907666,0.601257383,0.691064479,0.786871948,0.533096709
3267,C25 H27 N5 O5,Ser Trp Trp Esi+13.585995,494.2279,13.585995,1.05358998,0.726694739,1.385448339,0.942312865,1.132766949,0.961241396,1.099687146,0.640850388,0.49634695,0.813240455,0.588089861,0.724834466,0.566671242,0.688676417
3268,C28 H46 O5,Polyporusterone F Esi+14.593014,462.3324,14.593014,0.274474663,0.223336025,0.207829244,0.303744529,0.169278499,0.129689066,0.253015328,0.002437375,0.047543248,-0.05137314,0.042683906,-0.060017199,0.13104951,-0.080483607
3269,C24 H41 N O2,"5,8,11,14-all-cis-docosatetraenoylethanolamine",392.3398,13.60797,1.916702119,2.034497148,1.756354194,1.9193526,1.971519884,2.122798708,1.824845004,-1.176918725,-1.368844782,-0.947954307,-1.200264579,-1.139973333,-1.306443735,-1.09340918
3270,C26 H43 N23 O P,C26 H43 N23 O P,724.3758,5.317007,1.274637317,1.353147077,0.963776092,1.088593469,1.375315432,0.969411906,1.306860328,1.33986283,1.445425466,1.213928456,1.227637154,1.533607881,1.131745667,1.474043632
3271,C26 H48 O5,Momordol,457.3767,13.269027,1.075803101,1.095541325,0.891287933,0.881662507,1.175561487,0.828235443,1.145704553,-1.127507345,-1.274487562,-0.952162525,-1.034521192,-1.263439004,-1.155229567,-1.109633807
3272,C25 H32 N19 O8,C25 H32 N19 O8,726.2669,14.391044,1.48483737,1.457635774,1.729633471,1.645567007,1.605673103,1.643740465,1.607083013,1.077365455,1.054172512,1.105034229,1.034061957,1.136690978,1.030456564,1.107609345
3273,C23 H54 N13 O P S,C23 H54 N13 O P S,591.3977,12.602028,0.272194777,0.478195918,0.038507765,0.319182866,0.183025191,0.290727366,0.27069219,0.269751566,0.494172828,0.002020938,0.344218422,0.125335148,0.373389232,0.202932545
3274,C32 H63 N2 O6 P,"PE-Cer(d14:2(4E,6E)/16:0) Esi+10.009014",624.4237,10.009014,0.735825857,0.784548142,0.525218126,0.897484333,0.366074057,0.814197068,0.523225636,-0.481048027,-0.542209846,-0.40808305,-0.546781047,-0.362452725,-0.497603339,-0.470374207
3275,C26 H54 N24,C26 H54 N24,700.4936,14.131035,0.429790107,0.508054266,0.287100332,0.440137264,0.307749216,0.328071985,0.475443444,-0.178840912,-0.207983136,-0.14407475,-0.089566923,-0.276871975,-0.079322861,-0.243003867
3276,C22 H41 N O2,"Anandamide (20:2, n-6) Esi+14.199967",351.313,14.199967,0.464061143,0.469351746,0.255353513,0.314543962,0.507004394,0.543526339,0.370861222,-0.322543529,-0.417220895,-0.209595091,-0.339994594,-0.30252031,-0.449915069,-0.240422404
3277,C20 H51 Cl N11 P,C20 H51 Cl N11 P,511.3723,11.364012,0.038081907,0.00387606,0.090948974,0.026204423,0.03659709,0.068400922,0.074404784,0.059801954,0.052485631,0.068530199,0.093011431,-0.008584214,0.074808689,0.05012656
3278,C27 H43 N O3 P S,C27 H43 N O3 P S,492.2696,13.908992,0.978757771,0.71091357,1.201670177,0.856542251,1.033756908,0.8926065,1.019448325,0.694580967,0.58928535,0.820196792,0.646148985,0.767207622,0.619371561,0.743071242
3279,C8 H15 N O4,Alexine,189.1,4.203992,0.186605149,0.482119498,0.28714685,0.373592923,0.019268776,0.051108429,0.203301331,-0.134835562,-0.331542124,0.099831915,-0.181014583,-0.071479935,-0.016311276,-0.211252537
3280,C32 H65 N2 O6 P,PE-Cer(d14:1(4E)/16:0),626.4384,14.22198,1.147239376,1.200215151,1.026682301,1.236042464,0.97427249,1.244546435,1.023012431,-0.944601122,-1.131187226,-0.722007174,-0.960348834,-0.926910734,-1.03549283,-0.88599989
3281,C28 H42 N4 O6,Kukoamine D Esi+12.887962,530.3064,12.887962,0.516594591,0.618407229,0.37533117,0.422214896,0.700794103,0.466750324,0.5677294,-0.556431923,-0.742112398,-0.334918374,-0.29779004,-0.881080678,-0.458833124,-0.619357465
3282,C16 H24 O7,PGDM Esi+6.5219827,328.1498,6.5219827,0.345528581,0.36775185,0.343740598,0.302950684,0.333150647,0.569480752,0.235887354,0.158675117,0.160867977,0.156059074,0.171799199,0.12262599,0.226105796,0.115200075
3283,C43 H75 O12 P,"PI(P-16:0/18:4(6Z,9Z,12Z,15Z)) Esi+13.4729805",814.51,13.4729805,0.594029967,0.343683928,0.724691607,0.63495437,0.426581402,0.393622237,0.650489486,0.537230472,0.346071047,0.765280311,0.650770083,0.392739252,0.465950784,0.583187112
3284,C27 H51 N8 O P,C27 H51 N8 O P,532.3736,14.739991,1.105655775,1.250423333,0.839288116,1.154358402,1.005107125,1.103779132,1.048092857,-0.956684621,-1.147034272,-0.729600827,-0.918198449,-1.038223727,-0.837058455,-1.033812018
3285,C37 H66 O11,C37 H66 O11,686.461,14.114991,0.023424266,0.150380648,0.226175658,0.00957324,0.003606324,0.105374435,0.038689595,0.069938587,-0.032798874,0.192502575,0.108895104,-0.006797361,0.135061522,0.027951431
3286,C42 H74 O14,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid Esi+13.972972 :1,819.5394,13.972972,0.019540275,0.239242896,0.34698307,0.066218927,0.076368749,0.144808456,0.10677052,0.124678396,-0.174279086,0.481329427,0.116046621,0.123386229,-0.020021947,0.217972038
3287,C29 H48 O3,Schleicherastatin 5,444.3595,14.840032,1.357325275,1.530767016,1.219692145,1.382888553,1.305760712,1.533788084,1.318281724,-1.251855908,-1.479466502,-0.980320463,-1.286672165,-1.200927452,-1.34002996,-1.195006848
3288,C19 H2 O21 S,C19 H2 O21 S,597.8807,9.604003,0.294463749,0.5301594,0.045653411,0.223754578,0.33262067,0.521385764,0.184442462,0.139853538,0.288232584,-0.037160061,0.155386121,0.094539955,0.299060902,0.037206685
3289,C29 H57 O8 P,PA(12:0/14:0),564.376,16.245054,0.404386269,0.163219502,0.902242007,0.580289667,0.319437009,0.716383518,0.334014603,0.394605326,0.266271484,0.547705348,0.483175788,0.256096914,0.523066895,0.31178142
3290,C36 H60 N3 O10,C36 H60 N3 O10,694.4253,13.895997,0.856238192,1.030950006,0.606466737,0.902146966,0.964199023,0.872265317,0.863793451,-0.455865419,-0.659179209,-0.213315635,-0.381164629,-0.581241225,-0.447895526,-0.461003903
3291,C12 H17 N8 O,C12 H17 N8 O,289.1524,0.87899864,0.230207586,0.034672392,0.422232259,0.288756863,0.833878135,0.278335111,0.567898657,0.12168157,0.105097032,0.141466633,-0.055474428,0.371691048,-0.10351638,0.266874984
3292,C4 H12 N2 S2,Cystamine,174.0268,4.435002,0.633847384,0.766345849,0.505932633,0.560534911,0.65019913,0.538457247,0.706979946,0.412020636,0.52731938,0.274471259,0.428908247,0.382322479,0.380483432,0.432353834
3293,C36 H69 N O8 P,PC(14:1(9Z)/14:1(9Z)),651.4922,15.337956,1.285271131,1.434043545,1.016733566,1.339055064,1.16525842,1.329535517,1.215619724,-0.611762081,-0.737423963,-0.461849661,-0.627050864,-0.601771037,-0.593962844,-0.623237905
3294,C12 H N2 O15 P S2,C12 H N2 O15 P S2,507.8525,9.611,0.937729582,0.906558537,1.003341792,1.140469095,0.667939381,0.869875897,0.904586931,-0.511393278,-0.476042472,-0.553566168,-0.551137246,-0.477295709,-0.410546929,-0.576412635
3295,C43 H65 N5 O10,Telithromycin,828.5038,8.202019,0.331992913,0.033160603,0.692600114,0.405637429,0.331103892,0.029945266,0.491768801,-0.185673441,-0.023968249,-0.378584898,-0.157180787,-0.248293013,0.019744275,-0.318113811
3296,C18 H38 O10,C18 H38 O10 Esi+4.871997,414.2447,4.871997,0.650901091,0.295841409,1.053625445,0.622776587,0.719178314,0.51038105,0.750509515,0.503327402,0.345332861,0.691812118,0.497763553,0.548951804,0.418604329,0.557951489
3297,C23 H38 O8,C23 H38 O8 Esi+9.413981,442.2523,9.413981,0.3039095,0.225203417,0.279396711,0.266541901,0.204401539,0.344952311,0.278031191,0.228142502,0.216035487,0.242585958,0.3160847,0.098300281,0.32284094,0.16708693
3298,C20 H43 N11 O2 S,C20 H43 N11 O2 S,501.341,13.292985,0.263609613,0.423193803,0.047445897,0.300076906,0.146579801,0.229804565,0.303840737,0.293636551,0.619831175,-0.095507913,0.417188762,0.09052391,0.334179942,0.267496733
3299,C27 H43 N O8,NKH477 Esi+11.509016,526.3222,11.509016,1.349047701,1.4198526,1.139761244,1.066440689,1.463609886,1.349064152,1.219135658,0.897979355,0.977064322,0.803632378,0.802906172,1.008970501,0.965597471,0.854383465
3300,C26 H40 N5,Agelasine,421.3184,11.458007,0.609312696,0.597677048,0.451752876,0.67168382,0.436539074,0.681460056,0.468774102,-0.341444756,-0.464446247,-0.194706136,-0.347303283,-0.337520314,-0.42979484,-0.284482202
3301,C5 H14 N O,Choline Esi+9.150996,103.0997,9.150996,0.705785332,0.674670306,0.611185808,0.78481014,0.423404758,0.802498172,0.560950104,-0.884320335,-0.961722068,-0.791981424,-1.148187458,-0.530460785,-1.161347785,-0.705710531
3302,C32 H48 O5,Ganoderic acid X Esi+8.411992,534.3365,8.411992,0.318237064,0.532565838,0.021112703,0.256188053,0.243795617,0.534990104,0.155894387,0.130384882,0.268022601,-0.033814502,0.149379236,0.082739566,0.292443799,0.025899528
3303,C11 H15 N3 O4,Pyricarbate,252.0971,5.4599977,0.605543538,0.417965127,0.953744018,0.535311105,0.570862452,0.517182151,0.677954362,0.440423661,0.273871256,0.639117759,0.472200199,0.382462833,0.409907178,0.460098763
3304,C18 H37 N5 O8,Dibekacin,468.2887,11.120028,0.683767246,1.034794933,0.063704356,0.802640949,0.439127995,0.883911006,0.470341662,-0.263865906,-0.482347117,-0.003221655,-0.307085107,-0.195540136,-0.387102954,-0.184410441
3305,C20 H49 N15 O S,C20 H49 N15 O S,547.385,13.75902,0.635108139,0.707000894,0.296784519,0.637237604,0.379419803,0.446669381,0.618227426,-0.236434042,-0.364043755,-0.084197893,-0.253007272,-0.22686153,-0.183826248,-0.270352226
3306,C42 H84 N O6 P,CerP(d18:1/24:0),751.5785,16.001968,0.284748314,0.335131596,0.155870467,0.263615588,0.282911539,0.413399515,0.216569036,0.233055829,0.241459154,0.223030811,0.227046618,0.240745894,0.273186274,0.207182253
3307,C37 H73 N2 O7 P,"PE-Cer(d15:2(4E,6E)/20:0(2OH)) Esi+13.893012",687.512,13.893012,0.364991708,0.436440199,0.096659271,0.245848595,0.475779395,0.434132155,0.26571981,-0.201042251,-0.323222987,-0.055282777,-0.123678455,-0.317039317,-0.23544356,-0.17886246
3308,C12 H16 O5,"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate Esi+5.665004",240.0973,5.665004,1.103888102,0.958155974,1.21500365,1.044780041,1.085836611,1.20360518,0.95363088,0.978761103,0.934444084,1.031630529,0.987496797,0.952572903,1.140713483,0.874344437
3309,C9 H15 N2 O15 P3,Uridine triphosphate (UTP) Esi+12.443035,500.9994,12.443035,1.756829581,1.770109799,1.802978447,1.75286882,1.826274472,1.783059734,1.813573059,0.937871416,0.977896423,0.890122284,0.966656422,0.881980863,0.975037702,0.913908941
3310,C34 H71 N O7 P,LysoPC(26:0),658.476,14.339042,0.031943147,0.092112148,0.379911281,0.029610506,0.192038397,0.110312927,0.111622165,0.029899311,-0.059670006,0.136753935,0.087823204,-0.071092916,0.157874151,-0.052610783
3311,C34 H67 N2 O7 P,"PE-Cer(d16:2(4E,6E)/16:0(2OH))",646.4675,10.770997,0.149674308,0.184681598,0.00313695,0.273015783,0.058450579,0.061343216,0.097373408,-0.039104685,-0.054531113,-0.020701227,-0.041892631,-0.066639005,0.027188772,-0.081846518
3312,C28 H59 N8 O P S2,C28 H59 N8 O P S2,618.4115,13.388978,0.066647062,0.111259399,0.003000118,0.054536128,0.071554522,0.222340503,0.020710401,0.152894952,0.223283251,0.068922947,0.212536394,0.038453123,0.311976134,0.050329454
3313,C5 H15 N4 O3 P,N4-Phosphoagmatine Esi+4.5609894,210.0865,4.5609894,0.691823162,0.586233681,0.780660339,0.648056911,0.678033208,0.712972736,0.634465575,0.683740273,0.637649198,0.738726118,0.756261757,0.585651686,0.842193261,0.581579795
3314,C17 H3 O22 P,C17 H3 O22 P,589.8837,11.357,1.394933819,1.431825712,1.393313158,1.281310473,1.543809071,1.135445445,1.642347053,1.160113134,1.241949788,1.062483441,1.128991312,1.167417203,1.051436591,1.230180905
3315,C31 H67 N8 O2 P,C31 H67 N8 O2 P,614.5107,15.779036,1.26669603,1.305953984,1.16548785,1.206245072,1.263633872,1.248795987,1.228495434,-1.114448676,-1.319542305,-0.869775574,-1.081144594,-1.168873703,-1.105625652,-1.120137204
3316,C42 H70 O12,Ginsenoside Rg6,766.4842,14.343995,0.397861869,0.187693931,0.707641716,0.408467517,0.379973324,0.441857809,0.41305379,0.47310662,0.320565493,0.655085508,0.508633642,0.418228906,0.509012,0.449957099
3317,C10 H20 O4,"(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol Esi+8.64298",204.1361,8.64298,1.063025741,1.285921883,0.694786023,1.080232452,1.09420993,1.263458099,0.935376622,-0.550181226,-0.685911729,-0.388257118,-0.587770856,-0.507540692,-0.597931236,-0.519395036
3318,C18 H37 N8 O2,C18 H37 N8 O2,397.3036,9.444988,0.882727205,0.785335385,0.929630834,0.910831119,0.812924688,0.726355244,0.904814212,-0.547717596,-0.480533786,-0.627866703,-0.508434517,-0.630396093,-0.391880527,-0.648191496
3319,C34 H55 N O3,ICI 164384 Esi+14.333007,525.4232,14.333007,0.772708299,0.660328664,0.973616655,0.834132257,0.867085983,0.581350395,0.96078403,0.412208225,0.360541384,0.47384586,0.403732588,0.40592108,0.289091184,0.491586317
3320,C42 H67 O10 P,"PG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",762.4536,14.57103,0.509109263,0.409332904,0.542004569,0.556825649,0.374829748,0.466181018,0.514006216,0.369334271,0.330690059,0.415436137,0.427915658,0.274116158,0.363906813,0.372833552
3321,C18 H29 N,"4Z,7Z,10Z-octadecatrienenitrile",276.2561,10.465992,1.87537138,2.002398489,1.918014867,1.939214511,2.070089775,2.080874242,1.934174447,-0.990215376,-1.137451872,-0.81456482,-0.948433515,-1.057114482,-0.98751468,-0.991956615
3322,C19 H16 O4,Glyinflanin H,308.1055,7.496981,0.063786955,0.241727021,0.13886887,0.258035839,0.070443029,0.100329409,0.042889969,-0.013772649,-0.138902057,0.13550454,-0.120451855,0.113369202,-0.07249944,0.024090677
3323,C11 H22 N O4,O-butanoyl-carnitine Esi+3.3309948,231.1468,3.3309948,0.386717761,0.494975511,0.145005072,0.430893658,0.366081938,0.281123956,0.428469852,0.23658011,0.427755578,0.008511131,0.335200227,0.129770458,0.223564683,0.244971635
3324,C21 H46 N5 O,C21 H46 N5 O,384.371,12.870031,1.210578672,1.299919603,1.025699418,1.141139718,1.259911962,1.161655532,1.170911342,-0.68475632,-0.751008917,-0.605718135,-0.651870605,-0.721426407,-0.740152237,-0.649040532
3325,C43 H64 O11,Gambierol,778.4262,15.511976,1.557341696,1.501179533,1.575872534,1.541360523,1.519019479,1.618959679,1.482303247,1.454517632,1.47348762,1.431886769,1.504204524,1.38816244,1.596213271,1.363161233
3326,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.226025",278.2252,16.226025,2.179180136,2.310273343,2.093131071,2.290260931,2.169722503,2.335474221,2.123341608,-2.08879071,-2.259316101,-1.885356909,-2.172954266,-1.957298387,-2.177732071,-2.031446937
3327,C48 H89 N O13,LacCer(d18:1/18:1(9Z)),909.6209,10.519023,0.17736745,0.098272571,0.352524022,0.119737182,0.277371819,0.266102394,0.172736812,0.098309899,0.067521847,0.135039505,0.094763635,0.070020187,0.183795366,0.043194269
3328,C23 H40 O6,3-methoxy Limaprost Esi+14.403021,434.2642,14.403021,1.34309984,1.133979861,1.47795884,1.208696736,1.343995929,1.236739511,1.369313808,1.05964006,0.97810388,1.156911293,1.031727576,1.09628431,1.048475738,1.06683811
3329,C12 H18 N2 O,Agrocybenine Esi+4.718995 :1,206.1418,4.718995,0.47430489,0.733901305,0.0109339,0.596227217,0.372717896,0.710226447,0.251512039,-0.077499606,-0.132951625,-0.011346321,-0.080117807,-0.072211756,-0.112873321,-0.054692869
3330,C18 H5 O21 P,C18 H5 O21 P,587.9075,11.3589735,0.566508525,0.543748423,0.462401533,0.510665743,0.444207916,0.63558608,0.458902948,0.388922308,0.413016168,0.360178756,0.429806389,0.305773471,0.494040338,0.321148842
3331,C17 H44 Cl N16 O,C17 H44 Cl N16 O,523.3639,13.198979,0.420838205,0.438222702,0.592979259,0.553424227,0.372494578,0.393826765,0.511203517,-0.341913585,-0.223960665,-0.482629349,-0.33857628,-0.371238959,-0.180067308,-0.446261842
3332,C5 H9 O P S,C5 H9 O P S,145.9945,1.3619996,1.228672903,1.560724564,0.853387483,1.341933348,1.092323504,1.627354214,1.049659484,1.68632561,2.098270999,1.194881987,1.824679953,1.458189354,2.00318964,1.482031695
3333,C26 H44 O9,Mupirocin Esi+11.288994,522.2801,11.288994,1.900535924,1.654132237,2.19108329,1.830388366,2.026981337,1.737016792,2.009540183,2.378789105,2.119349967,2.688295444,2.218810758,2.617365435,2.141000901,2.53209992
3334,C49 H91 O12 P,"PI(P-20:0/20:2(11Z,14Z))",901.6069,12.436019,0.202489177,0.194364194,0.152712813,0.212870965,0.096413045,0.015578318,0.276267059,-0.030657208,-0.047765369,-0.010247471,-0.012977767,-0.080958627,0.055019479,-0.085896124
3335,C36 H65 N O10,C36 H65 N O10,671.4609,15.600036,0.793440984,0.811679905,0.644233587,0.801150943,0.661744596,0.601613976,0.785065984,-0.461650264,-0.56471769,-0.338692633,-0.383429337,-0.572819115,-0.316094943,-0.555495142
3336,C14 H22 O4,(-)-trans-C75 Esi+7.7159753,254.1511,7.7159753,0.21346263,0.112766648,0.324525337,0.112388844,0.310051421,0.304443373,0.188779163,0.151009937,0.109053239,0.201063542,0.110681545,0.18622155,0.202353439,0.117906891
3337,C36 H69 O10 P,PG(12:0/18:1(9Z)) Esi+12.968995,692.4679,12.968995,1.161366782,1.181789032,1.217461735,1.20273427,1.071449635,1.316416907,1.1343623,0.674837506,0.70821801,0.635015151,0.718625351,0.591626631,0.791155054,0.599843298
3338,C23 H34 N13 O,C23 H34 N13 O,508.3011,12.821022,1.957135117,1.776481951,2.213970873,1.951133351,2.064024572,1.894170917,2.073439014,2.365015572,2.121998672,2.65493047,2.205258524,2.578337596,2.185847216,2.480532013
3339,C20 O18 P,C20 O18 P,558.8833,13.969975,1.853969577,1.911893568,1.911872295,1.870530361,1.962176114,2.00820948,1.880522562,1.052112118,1.101129099,0.993635718,1.056334473,1.028292824,1.110463555,1.014490796
3340,C26 H36 O9,Caryoptin,492.2322,7.2070026,1.068932592,0.985136278,0.949705793,1.106751688,0.912873726,0.877888683,1.062524037,-0.785176234,-0.830326109,-0.731313225,-0.814533189,-0.742157881,-0.785620976,-0.784889492
3341,C32 H52 O5,22-Acetylpriverogenin B Esi+15.2060375,516.379,15.2060375,1.190965111,1.282033193,0.971742005,1.197605798,1.097548243,1.213389081,1.101354395,-0.766811316,-0.87674522,-0.635662096,-0.693808126,-0.882111884,-0.736904943,-0.786093056
3342,C30 H50 O3 S,"26,27-diethyl-1?,25-dihydroxy-22-thia-20-epivitamin D3 / 26,27-diethyl-1?,25-dihydroxy-22-thia-20-epicholecalciferol Esi+12.840003",490.348,12.840003,1.021160985,1.085618666,0.767522578,1.121029368,0.720235216,1.173487398,0.805231144,2.146950183,2.547847112,1.668687179,2.48102112,1.659836625,2.762507466,1.750077724
3343,C17 H14 N3 O23 P,C17 H14 N3 O23 P,658.9741,14.334976,0.586708301,0.727274389,0.245622238,0.749017625,0.253101093,0.514964342,0.542937035,-0.223570909,-0.295442178,-0.137829746,-0.251775784,-0.197890422,-0.200555424,-0.23840984
3344,C27 H42 O7,25-Acetylvulgaroside,495.3261,11.000982,1.47170928,1.448701599,1.519857266,1.463042715,1.424284504,1.481507287,1.476437148,1.000518026,1.04774903,0.944172267,1.026961587,0.933121121,1.080264529,0.949102518
3345,C38 H69 N O8 P,"PC(12:0/18:4(6Z,9Z,12Z,15Z))",697.471,11.137962,0.154201644,0.024783523,0.365764828,0.045676306,0.351887203,0.217124324,0.172897834,0.093741588,0.051230316,0.144456789,0.071671482,0.097934676,0.128008592,0.071648387
3346,C16 H24 N2 O15 P2,dTDP-4-oxo-6-deoxy-D-allose,568.052,11.729985,0.261673651,0.12011398,0.522036617,0.215793601,0.38139884,0.205463757,0.379147021,0.215269586,0.154508639,0.287756331,0.205165018,0.203516203,0.18287449,0.236155898
3347,C10 H16 N4 O17 P4,Inosine 5'-tetraphosphate Esi+11.287022,609.9204,11.287022,0.130691062,0.012917094,0.179046293,0.064153761,0.115395217,0.331120039,0.036416663,0.080977727,0.054931368,0.112050575,0.088658926,0.044839564,0.194806424,0.007588172
3348,C35 H58 O6,Stigmasteryl glucoside,596.4043,13.35797,1.564398265,1.521114438,1.714944543,1.520420888,1.670798844,1.661302607,1.60418059,0.830201261,0.838270656,0.820574615,0.842731001,0.803238416,0.845243059,0.82050326
3349,C15 H28 N7 O,C15 H28 N7 O,322.2349,8.489012,1.02315928,0.70986937,1.33318116,0.889143158,1.20019076,0.955818658,1.02135567,-0.784438012,-0.487834,-1.138281396,-0.656043955,-0.983623642,-0.647489212,-0.872733949
3350,C30 H48 N13 S,C30 H48 N13 S,620.3958,9.590002,0.736633067,0.981350064,0.393683358,0.825450286,0.497743273,0.985587627,0.560601685,0.352902557,0.513902402,0.160832566,0.436149298,0.211905574,0.536256466,0.234687536
3351,C35 H54 O13,Evobioside,681.3562,14.363024,0.272690673,0.491577439,0.286520214,0.175811834,0.22713168,0.439747032,0.10232048,-0.0492114,-0.175180519,0.10106755,-0.035611971,-0.055100554,-0.146833453,0.013729134
3352,C19 H28 N4 O3,LY255283 Esi+5.9549913,359.2066,5.9549913,1.382486294,1.262349298,1.517697026,1.349635662,1.516815581,1.452211225,1.29276375,1.016606879,0.825409515,1.24470198,0.831823171,1.279020777,0.901311804,1.090941862
3353,C22 H N2 O18 P,C22 H N2 O18 P Esi+10.47097,611.896,10.47097,0.515424929,0.645268867,0.328790174,0.45089105,0.529265454,0.630210752,0.46288285,0.277725693,0.366774948,0.171491494,0.302510155,0.224684884,0.377964908,0.213097778
3354,C28 H44 N2 O23,Hyaluronan Esi+14.808041,775.2241,14.808041,1.728688983,1.806317088,1.509853043,1.556809008,1.813004862,1.771094161,1.68964772,1.415212899,1.462027809,1.359363532,1.278362503,1.601522431,1.417759033,1.413571312
3355,C24 H40 N6 O8,C24 H40 N6 O8 Esi+9.986001,540.2906,9.986001,1.779336317,1.616712751,1.950594893,1.663207215,1.920283983,1.756280601,1.833465141,2.089020133,1.853364327,2.370153375,1.8592133,2.374789295,2.03092471,2.126476392
3356,C33 H65 O8 P,PA(14:0/16:0),619.4277,13.5,0.581830206,0.406487994,0.932049012,0.539779329,0.681427669,0.487481004,0.721305013,0.814917829,0.55117469,1.129558767,0.780107937,0.846287516,0.669889719,0.908422795
3357,C23 H36 O7,3'?-Isopravastatin Esi+11.114992,424.2468,11.114992,0.906163003,0.903156285,0.905415734,0.764802971,1.07331866,0.783892457,1.052958096,-0.472525156,-0.460546304,-0.486815716,-0.370220379,-0.616968009,-0.39579545,-0.521995624
3358,C34 H54 N3 O12,C34 H54 N3 O12,696.3712,12.603023,0.144825288,0.079531553,0.248353363,0.230491962,0.018876732,0.26053204,0.110682148,0.262916138,0.164054591,0.38085623,0.391792778,0.064237722,0.334762113,0.216594391
3359,C32 H52 O9,Tokoronin Esi+13.50702,580.3593,13.50702,0.261807077,0.08866417,0.558938213,0.327553687,0.192405765,0.357544091,0.235618513,0.405892843,0.190407021,0.662963647,0.483543938,0.282404009,0.420986169,0.396161619
3360,C33 H53 N O6,gamma-Chaconine Esi+7.8659906,559.3925,7.8659906,0.733752393,0.708890581,0.842235184,0.869408584,0.541403368,0.904085828,0.626147716,-0.647646425,-0.566507366,-0.744443898,-0.775978507,-0.494734127,-0.711326439,-0.606589574
3361,C27 H44 N6 O6,C27 H44 N6 O6,548.3323,14.948978,0.349340066,0.194169261,0.440747986,0.339272767,0.296148373,0.309158621,0.342860496,0.281551893,0.131948346,0.460026299,0.245104011,0.340518852,0.178898408,0.347736376
3362,C31 H48 O6,Pokeberrygenin Esi+12.729984,516.3486,12.729984,1.635903061,1.625731862,1.68976181,1.480253247,1.801522862,1.647901529,1.705799141,0.865283961,0.919351483,0.800782357,0.823671931,0.89705691,0.91499952,0.833230509
3363,C36 H75 N25 O5,C36 H75 N25 O5,937.6339,13.032975,0.543254059,0.582606017,0.195089473,0.529407236,0.241636451,0.404245947,0.462387644,-0.222329557,-0.322933675,-0.10231061,-0.188767665,-0.288648963,-0.19007583,-0.243124724
3364,C6 H8 O2,4-Hexynoic acid Esi+10.711009,112.0522,10.711009,1.438509997,1.582174987,1.153878893,1.580907178,1.24496652,1.482061901,1.190578014,-0.945531841,-1.146561728,-0.705706711,-0.970185663,-0.880857865,-0.989302235,-0.917311454
3365,C34 H56 O12,C34 H56 O12 Esi+13.791014,656.38,13.791014,0.987634921,1.213575828,0.494933392,1.009168114,0.85104398,0.862739934,0.914777959,-0.638822918,-0.828163122,-0.412943376,-0.657902711,-0.626679531,-0.627818058,-0.645918156
3366,C25 H56 N22 O4,C25 H56 N22 O4,728.4845,12.916993,1.486912686,1.449666912,1.604533349,1.515090914,1.493127252,1.54518572,1.524702359,0.747928131,0.763374834,0.729500485,0.763324087,0.710560551,0.804212193,0.711639722
3367,C30 H48 N16 O3,C30 H48 N16 O3,680.4107,13.688979,0.361956134,0.212981985,0.604349265,0.428016378,0.302823534,0.44997503,0.34044282,0.313423668,0.198225116,0.45085352,0.354434011,0.240239478,0.325677542,0.305523144
3368,C34 H72 N3 O8 P S,C34 H72 N3 O8 P S,713.4775,13.353023,1.101224974,1.050943125,1.13352249,1.017594862,1.11156814,1.028257474,1.162194502,0.695617724,0.687160256,0.705707334,0.698269914,0.678033363,0.69857325,0.693712187
3369,C24 H40 O3,11beta-Hydroxy-5beta-cholan-24-oic Acid,393.3215,13.035965,1.720416989,1.708086396,1.595052047,1.565809217,1.731537488,1.747200852,1.636959026,-0.872890878,-0.881478537,-0.86264595,-0.78264391,-0.986796892,-0.935682283,-0.832406945
3370,C24 H39 N5 O6,Syringolin A,515.2751,6.6409936,1.703311356,1.747177921,1.697665345,1.743506695,1.770245095,1.692690641,1.698578154,1.342741479,1.149374066,1.57342541,1.165882219,1.576178521,1.071646393,1.517526468
3371,C8 H16 O4,"6,8-dihydroxy-octanoic acid Esi+6.5489864",176.1046,6.5489864,0.197394151,0.187077479,0.235841539,0.188955275,0.297613345,0.182578755,0.237893135,-0.051015304,-0.054454128,-0.046912847,-0.002901099,-0.138216159,-0.051620137,-0.050625346
3372,C7 H16 O3,C7 H16 O3 Esi+4.555 :1,148.11,4.555,0.714636276,0.728747792,0.535087026,0.915398724,0.481773498,0.886119973,0.565305355,-0.296158226,-0.364217406,-0.214964818,-0.353921622,-0.223447531,-0.385846415,-0.238332946
3373,C11 H14 N4 O3,3-Deaza-2'-deoxyadenosine,267.1329,0.84899914,1.219808942,1.28742987,0.928584272,1.241134238,1.051752378,1.169539358,1.101330858,-0.731354464,-0.927592272,-0.497246202,-0.749247633,-0.711363274,-0.862588105,-0.646743301
3374,C6 H9 N5 O2,"2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine",200.1006,4.020007,0.00010727,0.041846905,0.127841253,0.007267485,0.063549138,0.039355462,0.009088773,-0.119829815,-0.112490357,-0.128585659,-0.067028722,-0.205209723,-0.043950596,-0.168751943
3375,C27 H32 O3,Estradiol-17-phenylpropionate,404.2385,6.427986,0.141417889,0.561728536,0.304369603,0.334128214,0.206896021,0.515789741,0.106600379,-0.001653786,0.229526605,-0.277447936,0.125807023,-0.201528655,0.224433475,-0.147420572
3376,C38 H72 N O8 P,"PE(20:2(11Z,14Z)/13:0)",718.5254,12.145016,0.272482646,0.207730158,0.418485464,0.281383545,0.261532846,0.461011944,0.210191134,0.191982057,0.172829266,0.214831001,0.221226529,0.125805861,0.316426499,0.111748141
3377,<none>,<none> Esi+14.56004,692.4491,14.56004,0.235902882,0.053074381,0.446756623,0.191704437,0.237824959,0.28439165,0.212340943,0.244633691,0.145060782,0.363422424,0.303558731,0.16527536,0.323770947,0.193610986
3378,C13 H14 N4 O,Diphenylcarbazide Esi+6.0,242.1143,6,0.086394976,0.09592724,0.303838978,0.020160711,0.124442619,0.209124642,0.003466288,0.088926141,0.016424623,0.175419181,0.118454446,0.054191042,0.198934848,0.017999474
3379,<none>,<none> Esi+12.355973 :1,464.8131,12.355973,1.739738766,1.804759128,1.78630036,1.785429863,1.781180599,1.840468128,1.78938825,0.878890282,0.932425835,0.815023306,0.910650038,0.814297349,0.942368494,0.83796354
3380,C23 H53 N11 P,C23 H53 N11 P,514.4238,14.851021,1.609375863,1.77180161,1.386278493,1.721557991,1.47665626,1.729660054,1.531337029,-1.414776,-1.670682818,-1.109483655,-1.466262959,-1.357834217,-1.426897359,-1.406960913
3381,C26 H58 Cl N17 O3,C26 H58 Cl N17 O3 Esi+13.416993,691.4633,13.416993,0.960773045,1.096974627,0.757045381,0.877618542,0.989999655,1.032500326,0.942983388,0.594777433,0.695677439,0.474405496,0.616742719,0.546188894,0.679058464,0.540438347
3382,C23 H49 N S,C23 H49 N S,371.3577,13.374019,0.768310772,0.619292258,0.773805457,0.726524038,0.733846772,0.52101935,0.823326767,0.576000309,0.504286939,0.661553101,0.537769673,0.660328846,0.436792196,0.665752908
3383,C30 H52 N6 O3,C30 H52 N6 O3 Esi+15.235043,544.4096,15.235043,0.635726697,0.728915848,0.369499558,0.587789734,0.583135456,0.689976208,0.532648054,-0.247558403,-0.337895057,-0.13978836,-0.203295781,-0.314577736,-0.283787276,-0.224200314
3384,C16 H3 O15 P S2,C16 H3 O15 P S2,529.8655,9.60899,0.863951427,0.859969436,0.902322278,1.054084905,0.620007677,0.818391962,0.826466699,-0.490847613,-0.457773717,-0.530304191,-0.514390544,-0.477828542,-0.381425242,-0.561396247
3385,C31 H52 N3 O P S,C31 H52 N3 O P S,545.3387,12.326987,0.712868902,0.599793165,1.148222937,0.780993861,0.879139306,0.899363581,0.766785304,0.801487861,0.561769469,1.087467696,0.793017452,0.78980736,0.82722239,0.784895861
3386,C32 H56 O6,C32 H56 O6,536.4063,14.443032,1.102497595,1.319385552,0.884674185,1.356118949,0.909851648,1.079633222,1.133953675,-1.487188334,-1.711476633,-1.219616329,-1.816430746,-1.067117641,-1.653204447,-1.38015163
3387,C16 H24 O7,PGDM Esi+6.3769903,328.1539,6.3769903,0.244599726,0.323982774,0.081533032,0.459235921,0.013087706,0.521573873,0.041321497,0.241543567,0.243207314,0.239558747,0.359155292,0.099029452,0.406945894,0.134902594
3388,C48 H85 N O16,C48 H85 N O16,931.5879,14.191966,1.255748688,1.331493059,0.958059264,1.165684347,1.208545099,1.078874029,1.264860815,-1.262102123,-1.501702476,-0.976263106,-1.121880086,-1.471882881,-1.159426499,-1.32830088
3389,C34 H67 O8 P,PA(15:0/16:0),634.4498,13.79498,0.480436189,0.628577915,0.306829691,0.709367385,0.38965291,0.561356157,0.431851251,-0.254113513,-0.35191832,-0.137434094,-0.236404808,-0.325374916,-0.234038117,-0.26705686
3390,C32 H53 N P S,C32 H53 N P S,514.3524,14.269028,1.18313147,1.39231716,0.688086271,1.16214879,1.10745593,1.26976229,1.054782181,-0.906413685,-1.361707234,-0.363256469,-0.844869923,-0.987316937,-1.127579557,-0.763819899
3391,C44 H74 N3 O13,C44 H74 N3 O13 Esi+14.32103,852.5223,14.32103,0.175570525,0.048487718,0.500746164,0.135986688,0.210979555,0.149750302,0.243284931,0.367012063,0.112578077,0.670547345,0.358384718,0.364515692,0.30319574,0.408156798
3392,C46 H84 O5,"DG(21:0/22:3(10Z,13Z,16Z)/0:0)[iso2]",366.8281,6.6120214,0.636353729,0.762223694,0.416269493,0.899557699,0.190076609,0.559049002,0.534360385,0.313023975,0.432371771,0.170644148,0.453411768,0.135150219,0.283598655,0.331995562
3393,C30 H14 N4 O18 P,C30 H14 N4 O18 P,749.0036,13.996026,1.669717936,1.612780749,1.847256872,1.668271669,1.751592179,1.807401089,1.673577997,0.891650525,0.894713479,0.887996475,0.894861864,0.869055068,0.950802953,0.853512776
3394,C30 H48 N4 O4 S,15(S)-HETE-biotin,577.3661,5.896983,0.430018283,0.57549398,0.337155158,0.412015377,0.398693451,0.608143606,0.291201181,0.20750164,0.280137634,0.120848174,0.229460028,0.156072741,0.386468557,0.092115076
3395,C28 H58 Cl2 N15 O4,C28 H58 Cl2 N15 O4,736.4004,13.303971,0.623326899,0.53700285,0.731821628,0.717860387,0.453324033,0.862703196,0.450107184,0.716573246,0.593941635,0.862870607,0.867968959,0.463037444,0.890795674,0.604245629
3396,C33 H52 O8,Trillin,576.3629,6.858005,0.964012029,0.70775628,1.109538033,0.652532869,1.211363566,0.674200746,1.012482267,0.727632767,0.503574563,0.994930273,0.523953231,1.002580217,0.507153289,0.869784009
3397,C28 H44 N7 O20 P3 S,3-Oxopimelyl-CoA,945.1445,13.364991,0.630461487,0.6108677,0.476649689,0.697214262,0.292843746,0.492799221,0.580583717,-0.221784239,-0.262503013,-0.173207456,-0.235150252,-0.220395362,-0.182319714,-0.247228472
3398,C42 H68 O14,Jujubasaponin VI Esi+13.615982,796.459,13.615982,1.876924781,1.66325231,2.141094415,1.896782653,1.902405271,1.799713763,1.950898731,2.013212815,1.800744938,2.266683265,1.960070612,2.072055236,1.851180559,2.117680981
3399,C12 H10 N2 O S,6-Methoxy-3-(2-thiazolyl)-1H-indole,230.0529,4.836995,0.629884828,0.656954254,0.692890441,0.336884194,0.876394711,0.750176462,0.588449791,0.553905433,0.530551043,0.581766811,0.492178015,0.6154609,0.721495326,0.445854055
3400,C26 H48 O S2,C26 H48 O S2,440.3135,14.987043,0.664317244,0.713292096,0.458755996,0.382941267,0.820175864,0.514065038,0.65059502,-0.340669568,-0.385155415,-0.287598732,-0.153458254,-0.594505259,-0.237998683,-0.40686527
3401,C9 H16 N6 O4,Decarbamoylneosaxitoxin Esi+5.0109897,272.1255,5.0109897,0.063112487,0.153103399,0.168375107,0.077805513,0.019083823,0.339627442,0.174353126,0.054439419,-0.061551335,0.192814354,0.079990354,0.025636333,-0.106113916,0.15795407
3402,C33 H46 N4 O6,C33 H46 N4 O6 Esi+7.1280184,594.3244,7.1280184,0.213966574,0.221883212,0.799586849,0.129932161,0.340577407,0.180308337,0.488716746,-0.093216079,0.252697271,-0.505884636,0.014498908,-0.267064215,0.215385768,-0.292183059
3403,C19 H O23,C19 H O23 Esi+11.863021,596.8914,11.863021,1.673011682,1.580430661,1.787044582,1.571867292,1.655865891,1.588492718,1.734468517,0.874058181,0.885352387,0.86058439,0.861783063,0.866187542,0.890567983,0.863413703
3404,<none>,<none> Esi+8.625,407.7607,8.625,0.07390457,0.222914591,0.205441959,0.075782167,0.315531752,0.078271883,0.15793459,-0.045048608,0.065516062,-0.17695032,-0.154421124,0.097613617,-0.076291768,-0.024904992
3405,C23 H34 O4,"Androst-4-ene-3alpha,17beta-diol diacetate Esi+13.673027",374.2435,13.673027,0.952759556,1.037354551,0.565275407,0.960219356,0.747055315,0.782226003,0.922385413,0.415370367,0.514083806,0.297606967,0.41066895,0.429843594,0.390821316,0.431198045
3406,C10 H23 O2 P S2,C10 H23 O2 P S2,270.0876,6.3869934,0.583444343,0.427525172,0.656690529,0.392990269,0.671665126,0.46927439,0.613016569,0.326585316,0.295974666,0.363103284,0.283397182,0.379691527,0.31159258,0.336251685
3407,C39 H72 N9 O2 S2,C39 H72 N9 O2 S2,762.525,12.373027,0.182943118,0.296938289,0.175028324,0.296170765,0.077000275,0.090952457,0.160182945,-0.011554973,-0.114922158,0.111760265,-0.029790814,-0.01076307,0.032281244,-0.039817797
3408,C38 H76 N O6 P,CerP(d18:1/20:0),695.5156,15.312011,1.287989698,1.501335395,0.808691131,1.242285752,1.189856511,1.370094624,1.129571079,-0.566369608,-0.746112855,-0.351939067,-0.570793585,-0.568411691,-0.603538363,-0.542405542
3409,C35 H72 N2 O6 P,SM(d18:1/12:0),669.5006,15.180971,1.951087965,2.173416455,1.717832435,2.109597817,1.967747844,2.29178983,1.894951814,-1.349369634,-1.570760598,-1.085254097,-1.330042901,-1.361026857,-1.354511534,-1.346054461
3410,C30 H60 N O8 P,PE(13:0/12:0),592.4064,12.488021,0.148427986,0.160060351,0.101762057,0.106121449,0.004808497,0.032589824,0.153163039,-0.055437767,-0.10583048,0.004679856,-0.02870766,-0.126529311,0.001516132,-0.092158044
3411,C30 H38 O6,"2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone",493.2607,6.556019,0.883276213,0.537750614,1.094170416,0.686607747,0.952155058,0.461142389,0.968169294,0.668859613,0.386043639,1.006254109,0.488778899,0.918001454,0.34683146,0.876483028
3412,C28 H59 N8 S3,C28 H59 N8 S3,603.4015,13.163023,1.807637529,1.602967079,1.990324617,1.762452333,1.814563201,1.651912317,1.893467676,2.853397169,2.56912633,3.192527293,2.808604953,2.898685059,2.674694587,2.968613308
3413,C39 H66 N6 O11,C39 H66 N6 O11,794.4792,14.125,0.278584664,0.384765485,0.082316868,0.305135628,0.168116957,0.367095524,0.158524462,-0.490651487,-0.658601163,-0.290290469,-0.473839941,-0.48793968,-0.725462442,-0.339260213
3414,C19 H30 O8,Sonchuionoside C Esi+11.06299,386.1945,11.06299,2.182431091,1.943853627,2.384205162,2.112204355,2.27647849,1.98663344,2.275257094,2.662798931,2.331366157,3.058192415,2.492791852,2.897966874,2.494371204,2.771390492
3415,C33 H46 N O9,"Mivacurium Metabolite (Isoquinolinium, 2-[3-[[(4E)-7-carboxy-1-oxo-4-heptenyl]oxy]propyl]-1,2,3,4-te",622.2968,12.507016,0.246618828,0.451655329,0.188776625,0.156910531,0.194273962,0.026186155,0.251262753,-0.152376164,-0.311902448,0.037935893,-0.153562345,-0.162867316,-0.118641224,-0.174126324
3416,C10 H17 N O,4-Butyl-2-ethyl-5-methyloxazole Esi+1.1649984,184.1571,1.1649984,1.364970158,1.389118777,1.247083457,1.466678632,1.289970011,1.304515877,1.385791682,0.647561977,0.753935189,0.5206606,0.668233848,0.623100013,0.625983257,0.661474572
3417,C17 H32 N7 O2,C17 H32 N7 O2 Esi+8.572016,366.2605,8.572016,0.705603538,0.709704008,0.568293562,0.878640109,0.316525403,0.779521433,0.502897539,-0.335969723,-0.3190808,-0.356117911,-0.382062051,-0.291426331,-0.328880065,-0.340540686
3418,C18 O19 S,C18 O19 S Esi+13.555978,551.8757,13.555978,1.804291074,1.883227764,1.905433485,1.842654964,1.929153006,1.900125159,1.913750896,0.954966506,1.00439664,0.895997223,0.964667264,0.92599432,0.983821139,0.936362861
3419,C27 H54 N6 O9,C27 H54 N6 O9 Esi+10.831032,606.3948,10.831032,1.035610888,1.043522974,0.986179187,1.071638774,0.875625401,1.12112954,0.955862272,0.537051394,0.589311945,0.474705473,0.581806052,0.442514896,0.638827118,0.471432835
3420,C17 H30 O4,C17 H30 O4,298.2133,10.746995,0.589011396,0.492951256,0.661325219,0.438018576,0.714102987,0.692293248,0.543410142,0.346373156,0.32514105,0.371702685,0.305702511,0.399288607,0.410491868,0.30503346
3421,C32 H58 O9,C32 H58 O9,586.4083,13.990984,0.683276137,0.701227578,0.510393844,0.659354052,0.768635688,0.607543674,0.730533343,-0.466013119,-0.564263759,-0.348801829,-0.422759238,-0.555546669,-0.451515477,-0.475360283
3422,C27 H49 N O8,C27 H49 N O8 Esi+13.781986,515.346,13.781986,1.375323929,1.137570014,1.493604031,1.329676687,1.28832368,1.339625007,1.32523088,1.19002157,1.079578255,1.321778507,1.187356871,1.196180503,1.15073174,1.215353171
3423,C22 H41 N O4,AX 048,405.2826,8.624017,1.077255113,1.16186688,1.019582017,1.218885025,0.843813683,1.339222436,0.905362694,-0.715314341,-0.687821452,-0.748112876,-0.821336313,-0.571406341,-0.74413501,-0.696732594
3424,C36 H48 O8,24-Acetyl- 25-cinnamoylvulgaroside,608.337,7.614992,0.301371907,0.181667889,0.841021074,0.146300832,0.562118782,0.146402925,0.533749148,-0.201265936,0.082468679,-0.539756355,-0.091114678,-0.374583701,0.07627458,-0.380206532
3425,C6 H12 N O5 P,N-Acetyldemethylphosphinothricin,209.0431,2.6749935,0.066210646,0.040165192,0.136257138,0.026754089,0.00936345,0.020604788,0.114126797,-0.075095804,-0.029594534,-0.12937802,-0.066634483,-0.058879573,-0.043388711,-0.095538534
3426,C21 H3 O17 P S,C21 H3 O17 P S Esi+10.501976,589.8831,10.501976,0.454073366,0.570603831,0.286689739,0.331001215,0.528758647,0.545522715,0.450006716,0.251828262,0.353855473,0.130111589,0.26369078,0.21223931,0.372104121,0.174281984
3427,C34 H59 N O12,C34 H59 N O12,673.4048,14.167983,0.565863956,0.842106258,0.099956814,0.642117846,0.379241652,0.612577709,0.406179178,-0.36484408,-0.624559919,-0.055007641,-0.435475935,-0.25901943,-0.476337965,-0.292959865
3428,C10 H16 N4,C10 H16 N4,192.1361,4.674997,0.234591057,0.413495493,0.089740173,0.116801505,0.301802377,0.102481116,0.237062137,-0.197785346,-0.39788492,0.040929936,-0.118499848,-0.344491744,-0.096838395,-0.262869563
3429,C13 H25 Cl2 N6 P S4,C13 H25 Cl2 N6 P S4,494.0159,13.281005,0.360722099,0.175764361,0.739283506,0.308662779,0.545711956,0.396646508,0.432327696,0.14580855,0.094387249,0.207153261,0.136917284,0.150162975,0.154413951,0.140260331
3430,C34 H64 N O8 P,"PE(17:2(9Z,12Z)/12:0)",331.2318,8.499017,0.772011761,0.879128523,0.599589499,0.879474775,0.608361225,0.818294238,0.68705369,-0.424540827,-0.441488243,-0.404322857,-0.487204196,-0.354076306,-0.372805025,-0.457896804
3431,C10 H18 O5,5-hydroxysebacate Esi+5.5479846,218.1152,5.5479846,0.08798867,0.129931077,0.050961883,0.215609313,0.033559812,0.064623792,0.046100492,-0.061636719,-0.122691123,0.011200114,-0.09932771,-0.018122752,-0.046192306,-0.071594301
3432,C20 H28 O,delta6-Dehydroferruginol,284.2137,14.81102,1.471570068,1.461754867,1.342335253,1.567642154,1.186285819,1.660215426,1.266115103,-1.355096971,-1.457610168,-1.232800526,-1.487779719,-1.165564565,-1.577068669,-1.211983639
3433,C6 H12 O6,D-Fructose Esi+0.98500055,180.0635,0.98500055,0.032516162,0.240909035,0.17927111,0.022121635,0.068135301,0.010927162,0.079187608,-0.09222105,-0.191176283,0.025830806,0.02155885,-0.229822699,0.056937661,-0.188389167
3434,C22 H40 O S2,C22 H40 O S2,384.2508,13.67897,0.354725162,0.133229181,0.63350502,0.322478019,0.397021487,0.309418939,0.406057258,0.257278339,0.138129114,0.399421273,0.240412935,0.282346521,0.217302881,0.283051989
3435,C6 H17 Cl N7 O,C6 H17 Cl N7 O,236.1026,6.7130103,0.101611255,0.109371558,0.003874956,0.174919816,0.042069746,0.154122907,0.041614887,0.011450053,-0.016386089,0.044658082,0.017467674,0.009260827,0.015986998,0.008524918
3436,C13 H N2 O21 P,C13 H N2 O21 P,551.8786,9.602026,0.934872208,0.88291706,1.012880745,1.134209044,0.654252022,0.778957486,0.948735318,-0.480751446,-0.427893725,-0.54380978,-0.514449394,-0.453483147,-0.32812036,-0.57915833
3437,C11 H10 N O2,"N-(2,5-Dihydroxyphenyl)pyridinium(1+)",187.0608,2.6749935,0.182189632,0.029924026,0.336051331,0.177798408,0.083740488,0.114662347,0.221472133,-0.126724205,-0.083228754,-0.178613514,-0.162326772,-0.050684795,-0.12163525,-0.130005242
3438,C37 H49 N O3 S,C37 H49 N O3 S,587.3433,16.701965,0.603198647,0.74780004,0.422987943,0.849029844,0.321586882,0.765404875,0.48697665,-0.628296872,-0.802859038,-0.420047271,-0.780463477,-0.435035459,-0.692989096,-0.586587412
3439,C19 H28 N6 O6,Phe Asp Arg Esi+9.93799,436.2076,9.93799,0.033589872,0.153679761,0.242935034,0.110008796,0.117383145,0.075660409,0.041309067,0.050695588,-0.130141524,0.26643109,0.041127764,0.045212934,0.098735015,0.0197228
3440,C46 H89 O12 P,PI(P-20:0/17:0),863.5991,13.927982,0.762425568,0.841633107,0.511321057,0.861752549,0.384832405,0.751680183,0.636804451,-0.395762474,-0.498108504,-0.273665455,-0.435119158,-0.357579968,-0.379542317,-0.406220206
3441,C33 H64 N3 O7 P,C33 H64 N3 O7 P,645.4476,12.249019,0.273672094,0.38463102,0.009053735,0.421614256,0.031929336,0.242482992,0.185019258,-0.045436676,-0.106737855,0.027694555,-0.046073962,-0.063010659,-0.012444646,-0.066707854
3442,C13 H24 Cl O16 S2,C13 H24 Cl O16 S2,535.0224,12.714033,1.887406907,1.923195106,1.965526591,1.915223218,2.001385597,1.901669825,1.995442666,0.953925978,0.972031355,0.93232658,0.946336889,0.953921137,0.924865623,0.972662259
3443,C32 H54 O5,Ganoderiol C Esi+16.185043,518.3945,16.185043,0.506474771,0.607303734,0.435597314,0.561171356,0.493222173,0.489053337,0.521235544,-0.165339071,-0.241069587,-0.074993894,-0.105149155,-0.272770264,-0.095424677,-0.210415456
3444,C31 H33 N O2,Enterocin 900,450.2435,5.406005,0.578300318,0.843513658,0.174965771,0.690874124,0.283853252,0.833218082,0.351423759,0.249711835,0.40384902,0.065828879,0.332884716,0.114504175,0.446649691,0.122738745
3445,C27 H50 O9,3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid,518.3422,10.995027,1.195159274,1.289060171,1.098060659,1.24757987,1.023227669,1.336466807,1.13068365,0.646002282,0.727380107,0.548919964,0.702960372,0.534411136,0.765058856,0.569242122
3446,C36 H65 O8 P,"PA(20:3(8Z,11Z,14Z)/13:0) Esi+12.718014",655.4365,12.718014,1.489199609,1.511984473,1.54241661,1.465398752,1.576712382,1.482159722,1.595037723,0.679493739,0.724202015,0.626157551,0.677842571,0.664050627,0.691188014,0.67195401
3447,C29 H44 O10,Desglucocheirotoxol Esi+12.949971,552.2891,12.949971,0.273421908,0.414921041,0.104339473,0.231542665,0.354294435,0.16037481,0.35401833,-0.231388873,-0.422313068,-0.003619657,-0.096486536,-0.392435345,-0.081454087,-0.328057353
3448,C44 H83 O12 P,PI(P-20:0/15:1(9Z)) Esi+14.239991,833.5502,14.239991,0.441457996,0.608022036,0.048340118,0.335216697,0.426737567,0.482984257,0.34715958,-0.450580737,-0.695018541,-0.158970724,-0.346383855,-0.579122466,-0.52520915,-0.402465049
3449,C24 H40 N6 O6,C24 H40 N6 O6,508.301,12.991966,1.922470877,1.756499765,1.934747031,1.742633877,2.044590913,1.728863702,1.983584197,2.342256202,2.139264133,2.584422178,2.126318194,2.667516707,2.157134153,2.461611206
3450,C20 H47 N3 O5 P S,C20 H47 N3 O5 P S,472.3039,11.330003,0.07779207,0.117593533,0.011836298,0.192318134,0.040339469,0.022986933,0.023175341,-0.044726934,-0.148205228,0.078720855,-0.08112917,-0.036266237,-0.066533871,-0.030667198
3451,C36 H66 O6,C36 H66 O6 Esi+16.365978,594.4855,16.365978,1.179871886,1.333277548,0.889756609,1.054784467,1.211785006,1.091056284,1.137665341,-1.048045862,-1.316102524,-0.728258968,-0.930239473,-1.229933744,-1.011392461,-1.07167766
3452,C37 H64 O14,Kurilensoside J,754.4115,12.971999,2.067139357,1.962860633,2.192497366,2.050198633,2.162999719,1.997170004,2.135672132,3.244184603,2.967471823,3.574298096,3.048958592,3.479135332,3.019633866,3.388960736
3453,C25 H40 O4,"Androstane-3,17-diol dipropionate Esi+11.2360115",404.2932,11.2360115,0.179348467,0.184025084,0.195071827,0.276452062,0.142946189,0.040677995,0.32213931,-0.018775713,0.021393134,-0.066696443,0.01304605,-0.08755311,0.142929753,-0.123033185
3454,C43 H46 N19 O3 P S,C43 H46 N19 O3 P S,939.3416,10.010008,0.276803588,0.303452241,0.133673481,0.2892581,0.150684682,0.585250489,0.036953111,0.464845279,0.565733139,0.344487833,0.518724925,0.32881563,0.785403285,0.258169723
3455,C17 H27 N3 O17 P2,UDP-N-acetyl-D-mannosamine,607.0814,12.431966,0.261226469,0.300817822,0.07351374,0.329061004,0.004498422,0.21527884,0.213260679,-0.043803841,-0.077621023,-0.003460537,-0.054965905,-0.045409901,-0.035011296,-0.049472719
3456,C20 H42 O4,C20 H42 O4,346.3078,14.987044,0.347787743,0.533582001,0.15103564,0.353689205,0.11183478,0.641598008,0.021080017,-0.106137686,-0.232038088,0.044059285,-0.139867868,-0.05790562,-0.241616772,-0.018789328
3457,C30 H41 N O6,Cytochalasin Ppho,510.2876,15.236031,1.429057334,1.561185434,1.060224692,1.280703819,1.539252764,1.495408165,1.366931261,-0.839033767,-0.974141192,-0.677852979,-0.75031561,-0.969100338,-0.86538061,-0.822046987
3458,C23 H42 N17 O11,C23 H42 N17 O11 Esi+5.2639956,732.3238,5.2639956,2.182730191,2.104934872,2.201252031,2.214096194,2.187267184,2.06044084,2.242205182,3.347817679,3.366072348,3.32604018,3.259711356,3.449830165,3.419091219,3.301865003
3459,C15 H5 N2 O21 P,C15 H5 N2 O21 P Esi+12.460998,579.9103,12.460998,0.084520991,0.15256213,0.084058776,0.139523323,0.034399188,0.005797674,0.063304983,0.031388569,-0.001500068,0.070624137,0.051529715,-0.012547026,0.08750526,-0.004791929
3460,C19 H28 N4 O3,LY255283 Esi+10.677001,360.2147,10.677001,1.855255073,1.687444224,2.241838032,1.645524566,2.245122325,1.66240788,2.096265281,1.797979382,1.470151131,2.189072734,1.609084664,2.062636146,1.582834655,1.936691114
3461,<none>,<none> Esi+12.849043,505.6714,12.849043,2.073372143,2.065143662,2.126481462,2.099579727,2.119872418,2.107964453,2.111900947,0.956750145,0.984665467,0.923447655,0.959940957,0.936624888,0.973573133,0.945903745
3462,C26 H36 O5,"2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one Esi+5.4050174",428.261,5.4050174,0.556916437,0.844993993,0.157747462,0.689669419,0.260122703,0.872961778,0.320448098,0.246221501,0.409459124,0.051481881,0.333397876,0.105013463,0.462380048,0.106856122
3463,C29 H48 O5,"(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one Esi+13.419981",476.3507,13.419981,0.48627378,0.628816568,0.193681566,0.659294936,0.257537493,0.517771652,0.364185259,-0.185248064,-0.24836612,-0.10994933,-0.199278968,-0.176882848,-0.164685789,-0.19850532
3464,C31 H63 N8 O7,C31 H63 N8 O7,659.4797,12.743974,1.640818322,1.833692545,1.64032566,1.833704618,1.870949045,1.90767472,1.715843669,-1.778543439,-1.967305581,-1.553353516,-1.716944099,-1.852141447,-1.649209149,-1.861930021
3465,C17 H27 N O4,Metipranolol Esi+7.1820064,309.1935,7.1820064,0.041641941,0.092861041,0.006588246,0.25980174,0.256427452,0.086791496,0.151084928,0.068093634,0.099685791,0.030404746,0.020175946,0.12833212,0.215995788,-0.027264333
3466,C12 H18 O6,"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone Esi+4.630992",258.1085,4.630992,0.558963887,0.454966318,0.523472408,0.447103434,0.536484665,0.047670723,0.724068555,-0.440288393,-0.389115844,-0.501336347,-0.38097374,-0.559481515,-0.022519387,-0.709639463
3467,C19 H34 N2 O13 S4,C19 H34 N2 O13 S4,626.0939,12.725024,0.025364554,0.05523619,0.240625395,0.016877475,0.186574466,0.003800827,0.120746822,0.064134309,0.028643647,0.106474046,0.061065402,0.051417798,0.045631699,0.076063624
3468,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Esi+3.8049936 :1",184.0735,3.8049936,0.112184388,0.190746681,0.077199001,0.267071522,0.025153074,0.080903846,0.176318179,-0.105954752,-0.201542571,0.00807984,-0.166137698,-0.030192106,-0.03589276,-0.151126299
3469,C25 H36 N O6,"Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl Esi+10.010008",463.2763,10.010008,1.121590441,1.129604406,1.14660019,1.195430157,1.113018446,1.258876509,1.055608805,0.90112873,0.831208051,0.984542874,0.917065391,0.898327396,0.94598186,0.872210264
3470,C22 H53 N10 O4 S,C22 H53 N10 O4 S,553.3861,13.017002,0.502141572,0.440029422,0.517842574,0.385337845,0.639624399,0.258621845,0.711181421,-0.253181446,-0.247900608,-0.259481393,-0.204306666,-0.305039513,-0.172501117,-0.305199027
3471,C26 H42 O4,Hexadecyl ferulate Esi+12.576979,418.309,12.576979,0.075561486,0.062737041,0.016508314,0.008028302,0.145054928,0.176059344,0.15194792,-0.010015806,-0.016941341,-0.001753765,0.017611123,-0.06272672,0.078164086,-0.066868632
3472,C36 H28 N3 O3 P S,C36 H28 N3 O3 P S,613.1591,15.49197,2.484059162,2.661790797,2.4290459,2.629200435,2.533926585,2.63941217,2.488143573,2.716800251,2.783168604,2.63762397,2.765639762,2.666114483,2.608008477,2.786942316
3473,C46 H87 O12 P,PI(P-20:0/17:1(9Z)),884.5675,11.107002,1.010409095,0.958051207,1.050510738,1.020174545,0.862269324,1.103786475,0.931232825,0.569613684,0.599103014,0.534433431,0.6250227,0.459189214,0.692237943,0.490553307
3474,C29 H57 O8 P,PA(12:0/14:0) Esi+12.895997,586.3606,12.895997,1.060243299,1.350982218,0.528497832,1.05166821,0.988832005,1.295831892,0.894397318,-0.590169143,-0.845892628,-0.285095512,-0.590498377,-0.55678174,-0.765506137,-0.477122924
3475,C13 H24 N7 O,C13 H24 N7 O,294.2038,7.135008,0.454280826,0.267046849,0.66982229,0.320081712,0.573578682,0.364970836,0.484538801,-0.201402748,-0.100368212,-0.321935177,-0.141460663,-0.306464145,-0.129789236,-0.247574618
3476,<none>,<none> Esi+12.43701,902.1085,12.43701,0.044389858,0.073152488,0.309224396,0.056790214,0.188207627,0.158366077,0.032392153,0.103394362,0.046391713,0.171397522,0.126967361,0.042776068,0.17019137,0.060327869
3477,C22 H44 O3,13-methoxy-heneicosanoic acid,373.3545,12.898986,1.115705685,1.145531178,0.743584992,1.099813256,0.910629175,1.135032748,0.932859695,-0.960407052,-1.210255507,-0.662342228,-0.997774209,-0.889363034,-1.180387128,-0.818577792
3478,C30 H63 N O7 P,Hexanolamino PAF C-16,562.3941,13.829033,1.350895947,1.132095479,1.581617952,1.346244075,1.320937548,1.321293132,1.37347983,0.885001918,0.798645312,0.988023835,0.892874018,0.866567779,0.889246484,0.88226529
3479,C24 H36 O10,Plantaricin BN Esi+9.053979,484.2289,9.053979,1.235309979,1.232485612,1.238725533,1.245186163,1.240375156,1.457452164,1.107692014,1.612953174,1.560812913,1.675155592,1.65030557,1.548029755,1.80468647,1.489335655
3480,C30 H40 N4,Dequalinium Esi+9.754985,455.3203,9.754985,0.059831161,0.027763151,0.06006842,0.111022298,0.197664674,0.028486866,0.119684899,0.135521468,0.155058115,0.112214592,0.117216615,0.150652925,0.097494816,0.160038652
3481,C48 H95 N O7 P,"PC(O-18:2(9Z,12Z)/22:0)",828.6889,8.186011,0.141403174,0.070406707,0.492440992,0.282285681,0.126336276,0.063994175,0.23190231,0.059867109,0.074460693,0.042457221,-0.018301843,0.163228542,0.056842932,0.061816908
3482,C29 H63 N11 P,C29 H63 N11 P,596.4931,16.056952,1.050180621,1.117965041,0.855709328,1.039588824,0.907566022,0.926841531,1.026670702,-1.125985761,-1.382542664,-0.819917877,-1.159695361,-1.091480283,-1.061455579,-1.167590747
3483,C5 H6 N2 O5,C5 H6 N2 O5,174.0268,3.7459888,0.43384005,0.606398102,0.226438268,0.391949905,0.498807522,0.324449929,0.521333818,0.427163877,0.606199745,0.213577227,0.422877598,0.423588608,0.369413633,0.464397586
3484,C13 H22 N2 O,Noruron,222.173,7.597015,0.990719571,1.286959531,0.480422378,1.140741336,0.905133874,1.158245411,0.806801042,-0.233476248,-0.328879408,-0.119661952,-0.252565928,-0.209036812,-0.285338836,-0.200038528
3485,<none>,<none> Esi+9.633031,443.7894,9.633031,0.579100102,0.719000929,0.321593575,0.464746372,0.617705116,0.671629277,0.503114583,0.24092203,0.355792275,0.103883843,0.232615802,0.231698979,0.34340634,0.174846619
3486,C14 H37 N18 O2,C14 H37 N18 O2,489.3358,12.174009,2.117666661,2.14513303,2.122348304,2.167721037,2.101895001,2.163488994,2.129855419,1.267215193,1.363405571,1.152461759,1.294641868,1.201639573,1.323281845,1.231066956
3487,C34 H67 N2 O6 P,"PE-Cer(d16:2(4E,6E)/16:0) Esi+13.391028",629.4656,13.391028,0.219889058,0.441106317,0.146103567,0.289611296,0.075659522,0.429693966,0.062370273,-0.046990941,-0.230497087,0.171928671,-0.091206629,0.01260379,-0.190570332,0.045579982
3488,<none>,<none> Esi+13.702955 :1,764.432,13.702955,0.053186385,0.283176343,0.299664498,0.143308961,0.040549155,0.1128918,0.031900602,-0.049271597,-0.266172639,0.20948754,-0.083341786,-0.004795467,-0.186135939,0.038969886
3489,C20 H30 N6 O6,Glu Phe Arg Esi+12.875981,450.2225,12.875981,1.972979363,1.660176499,2.19484127,1.860245801,2.045110812,1.803207082,2.014527287,2.224407005,2.000690607,2.491296743,2.074958005,2.443975618,2.084822822,2.314402071
3490,C17 H29 N O4,C17 H29 N O4 Esi+7.786009,311.209,7.786009,0.306405897,0.381272833,0.159889,0.209215026,0.439791102,0.164084758,0.408111013,0.184626077,0.317614766,0.025972904,0.19408594,0.171812159,0.184826127,0.184497097
3491,C23 H3 N2 O17 P,C23 H3 N2 O17 P,609.9171,14.16204,1.881870699,1.919442444,1.878307332,1.841202098,1.975039491,1.907486909,1.923676565,1.205213176,1.252137828,1.14923289,1.214139151,1.188685134,1.241540274,1.181791758
3492,C13 H22 O4,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one Esi+9.677001",242.1491,9.677001,0.392212191,0.313467494,0.31829954,0.216280037,0.40845811,0.335588739,0.340027328,0.357311424,0.438098508,0.26093385,0.285494488,0.436414629,0.411685865,0.322254219
3493,C44 H88 N O7 P,PE(P-18:0/21:0),795.605,15.759021,0.121160659,0.201592458,0.007751662,0.188618957,0.056198017,0.316845095,0.027955503,0.123693666,0.125684865,0.121318201,0.144580861,0.093266824,0.167647156,0.095355232
3494,C42 H55 N2 P,C42 H55 N2 P,618.4155,13.326976,0.551799521,0.571896208,0.51862385,0.508643674,0.587096115,0.494204896,0.578974087,0.297275575,0.340867229,0.245271495,0.299278314,0.275669911,0.296803724,0.297579794
3495,C14 H2 N O23 P,C14 H2 N O23 P,582.8756,10.855976,1.049859598,0.986259965,1.141947461,1.062342312,0.994675227,1.034463188,1.077049205,0.853908243,0.854362452,0.85336638,0.902711769,0.75392257,0.922210173,0.809871472
3496,C15 H21 N3 O5,Tyr Ala Ala,322.139,7.3399916,0.784818032,0.604126207,0.905417446,0.596094856,0.829210571,1.056338974,0.563467028,-0.38191907,-0.33327382,-0.439952001,-0.331684019,-0.406811072,-0.589541852,-0.248057014
3497,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.473",441.3267,9.473,0.313208388,0.18494612,0.318666783,0.135983454,0.435256472,0.130629503,0.378282034,-0.346567301,-0.255533569,-0.455168948,-0.1537078,-0.575840141,-0.162153711,-0.465465538
3498,C35 H62 O7,cis-Annonacin-10-one Esi+10.965013,616.4251,10.965013,1.060910551,1.052269144,1.035748239,1.181400298,0.824852558,0.955309883,1.037239453,-0.53235316,-0.523416175,-0.543014827,-0.561047844,-0.516079423,-0.441498169,-0.590930721
3499,C17 H28 N6 O5,Gln His Ile,396.2128,11.13899,1.321166429,0.986588327,1.795149176,1.128088791,1.548923293,1.083284117,1.497325141,0.79686608,0.625679752,1.001088366,0.743781749,0.864487851,0.690607832,0.865374687
3500,C43 H70 O11,A28086B,784.4788,8.17898,0.133148982,0.001534144,0.323378303,0.189405454,0.057182878,0.011530793,0.192764971,-0.060175196,0.025038247,-0.161833338,-0.065077896,-0.069132676,0.033011893,-0.120256346
3501,C35 H69 N2 O7 P,"PE-Cer(d15:2(4E,6E)/18:0(2OH)) Esi+10.831032",682.4651,10.831032,0.830463258,0.819667805,0.814282481,1.087167985,0.477499723,0.771520885,0.790642401,-0.440354801,-0.447075348,-0.432337306,-0.490405483,-0.392139392,-0.344927373,-0.50188038
3502,C16 H24 O5,"3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide Esi+8.769019",296.1598,8.769019,0.603010726,0.376639946,0.763288895,0.420870918,0.706601353,0.48305461,0.608695158,0.629033261,0.478543729,0.808564632,0.491387374,0.794238997,0.52539042,0.695855618
3503,C32 H48 O5,Ganoderic acid X Esi+11.101005,534.3281,11.101005,0.500747174,0.807919976,0.225353298,0.594254286,0.231647824,0.651204347,0.299991249,-0.166048136,-0.347585835,0.050523155,-0.200308269,-0.113928415,-0.26343242,-0.103260899
3504,C31 H68 N5 O2 S3,C31 H68 N5 O2 S3,638.4494,16.361034,0.399842374,0.503903385,0.244157535,0.202908469,0.583895309,0.255207896,0.44609859,-0.251387886,-0.348757217,-0.135227983,-0.080023007,-0.489778877,-0.125728422,-0.332405173
3505,C26 H47 N16 O,C26 H47 N16 O,599.4126,13.727033,0.30287914,0.109837877,0.601095903,0.253940981,0.357254811,0.148641644,0.451362611,0.266401988,0.124991181,0.4351026,0.23821747,0.292918476,0.135458436,0.35082612
3506,C24 H54 N19 P,C24 H54 N19 P,639.4533,16.243956,0.276905901,0.465829255,0.102083403,0.224111969,0.282784461,0.128103182,0.275341162,-0.089328129,-0.242089722,0.092913771,-0.059387607,-0.141763364,-0.077576532,-0.096904817
3507,C48 H87 N O5 P S3,C48 H87 N O5 P S3,882.5737,12.489012,0.590009282,0.398073019,0.84080523,0.571594617,0.549028201,0.683763147,0.534775275,0.630737904,0.525336107,0.7564804,0.680739625,0.535971901,0.751311387,0.552999737
3508,C50 H78 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",900.562,9.1830015,0.380985132,0.576884348,0.113655602,0.404624311,0.232510878,0.73916991,0.162072458,0.184500118,0.304124422,0.041790422,0.254830177,0.062080565,0.394311494,0.049226993
3509,C17 H3 O21 P,C17 H3 O21 P Esi+9.602026,573.8915,9.602026,0.954843826,0.847283792,1.004990256,1.156922408,0.649215247,0.896826231,0.86033476,-0.496100258,-0.409410436,-0.599519695,-0.544751246,-0.441326213,-0.44545978,-0.52875004
3510,C32 H56 O5,C32 H56 O5 Esi+14.958007,520.4124,14.958007,0.65150885,0.844303827,0.143138316,0.642105015,0.503070116,0.579078897,0.575541773,-0.917930253,-1.51586501,-0.204604579,-1.06448008,-0.744437017,-1.150280902,-0.768125229
3511,C30 H44 O4,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid",468.3227,14.862043,0.675951956,0.633031278,0.746818433,0.686029757,0.565841742,0.908261517,0.557328602,0.369744857,0.322084499,0.426602829,0.407241752,0.300420435,0.450211551,0.317865015
3512,C15 H22 N2 O3,Phenylalanyl-Isoleucine Esi+5.290001,278.1632,5.290001,0.001563388,0.30516694,0.365802082,0.141658266,0.097705202,0.033876691,0.08421567,-0.017863141,0.142414606,-0.209071682,0.043043251,-0.092477655,-0.139168869,0.060347131
3513,C12 H19 N8 O,C12 H19 N8 O Esi+8.610991,291.1644,8.610991,0.085063615,0.417441429,0.326149276,0.170982509,0.103522715,0.175216281,0.004206615,-0.030937771,-0.175645018,0.141695435,-0.098667436,0.072598518,-0.090568237,0.007508187
3514,C18 H31 N,C18 H31 N,261.2451,11.2360115,0.680724625,0.75191404,0.439306552,0.571791341,0.724080887,0.810046752,0.556612734,-0.366508774,-0.390082948,-0.338385198,-0.288518055,-0.47046099,-0.384550074,-0.354876884
3515,C19 H47 N18 O5,C19 H47 N18 O5,607.3977,10.833007,1.155463949,1.080580827,1.132622638,1.229678628,0.949645759,1.042844263,1.13498833,1.088876831,1.140290611,1.027541093,1.18450652,0.916986644,1.130318523,1.062157845
3516,C37 H69 N10 O8,C37 H69 N10 O8,781.5302,14.232967,0.605499107,0.772731706,0.146407627,0.54256761,0.542251789,0.42753067,0.58669447,-0.317532302,-0.492876625,-0.108349601,-0.215779119,-0.469128204,-0.226968885,-0.375921873
3517,<none>,<none> Esi+11.638986,685.4474,11.638986,1.229267688,1.141910239,1.224897343,1.177506776,1.138005592,1.210582653,1.191855611,0.759099254,0.766124286,0.750718514,0.786665924,0.691901194,0.83558379,0.709786856
3518,C27 H55 N8 P,C27 H55 N8 P,520.4126,16.383034,1.396901639,1.453440952,1.159398508,1.412913182,1.25030973,1.298182558,1.377242417,-1.143848464,-1.221541679,-1.051161821,-1.16076255,-1.136870996,-1.010411739,-1.229880036
3519,C30 H60 Cl N O4 S,C30 H60 Cl N O4 S,565.3927,11.395997,0.247801193,0.111151031,0.319919194,0.035693796,0.351102675,0.262404581,0.184747733,0.275682248,0.229633297,0.330617839,0.27115349,0.258529895,0.375875574,0.21108392
3520,C34 H69 N4 O8 P S,C34 H69 N4 O8 P S,724.4563,10.050024,0.897044813,1.059477825,0.557262585,0.892757907,0.681196572,0.997235473,0.730949397,0.661413611,0.83770593,0.451099966,0.751845949,0.49850002,0.87296817,0.525016592
3521,C28 H55 N13 O2 P,C28 H55 N13 O2 P,634.4203,15.24902,0.3344005,0.188637654,0.667157325,0.527301861,0.246088791,0.407741273,0.377705608,0.288834022,0.133682009,0.473927653,0.333517428,0.212146459,0.208517715,0.340616905
3522,C27 H43 N O4 S,C27 H43 N O4 S,477.2959,7.7419777,0.556974491,0.7331414,0.423311489,0.863637304,0.197527508,1.0067308,0.298514152,0.530171183,0.754293684,0.26279697,0.804862552,0.115858091,1.018144939,0.215556524
3523,C10 H12 N2 O,N-Hydroxyl-tryptamine,176.0948,0.8800013,0.762227531,0.722900116,0.656648091,0.601711993,0.920237851,0.809622098,0.619468161,-0.823486792,-0.837674819,-0.806560726,-0.863531606,-0.775052831,-0.951920353,-0.740680944
3524,C7 H11 N O2,Guvacoline,141.0801,0.8439985,0.354340767,0.47781923,0.318749061,0.474133831,0.275732105,0.597016969,0.251522617,-0.297303524,-0.268384447,-0.331803475,-0.277678717,-0.337680323,-0.359105584,-0.257457459
3525,C34 H58 O10,"(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 6-O-beta-D-glucopyranoside Esi+14.976021",648.3855,14.976021,0.687617799,0.506591103,0.838670516,0.685020855,0.593734898,0.693412829,0.656492775,0.584941209,0.517240158,0.665707374,0.626173256,0.523747636,0.647052508,0.544895766
3526,C32 H66 N6 O P S,C32 H66 N6 O P S,612.4265,13.989012,1.020066964,0.940482943,1.002130431,0.997521878,0.916213745,0.998949729,0.945322184,-0.612303063,-0.619388099,-0.603850739,-0.569505648,-0.680539983,-0.60469559,-0.617207881
3527,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+11.288014",382.1605,11.288014,0.867802291,0.796388487,0.878233076,0.71329796,0.917021113,0.823584791,0.815322949,0.540457149,0.524690709,0.559266237,0.52675097,0.598182171,0.523659694,0.551287088
3528,C25 H46 O6,C25 H46 O6,442.3287,14.813979,1.253873792,1.20232425,1.150361706,1.280798368,1.159784753,1.156469737,1.235480391,-0.85341348,-0.917832353,-0.776562895,-0.818268856,-0.920462827,-0.794002881,-0.891717683
3529,C35 H52 O5,Oxepahyperforin Esi+10.427984,551.3761,10.427984,0.423194608,0.474793288,0.322754258,0.611666363,0.257990117,0.160798101,0.548500629,-0.31639786,-0.427246927,-0.184156866,-0.467885564,-0.153899103,-0.111029647,-0.448806312
3530,C31 H63 N8 O P,C31 H63 N8 O P Esi+16.05695,590.4523,16.05695,1.209053155,1.224037142,1.03667333,1.190111744,1.076898838,1.088062457,1.163974208,-1.067423344,-1.2987663,-0.791435256,-1.088587889,-1.048471121,-1.079932279,-1.059358372
3531,C29 H22 O14,"3,5-Digalloylepicatechin",616.0905,13.104984,0.203115184,0.248254344,0.017086036,0.225756243,0.021159771,0.111344769,0.179061418,-0.012878196,-0.04797444,0.028991008,-0.019424677,-0.016356698,0.003611652,-0.023509808
3532,C41 H75 N O8 P,"PC(15:0/18:4(6Z,9Z,12Z,15Z)) Esi+13.637958",739.5177,13.637958,0.469795635,0.605445236,0.153289651,0.631056059,0.200685599,0.440523101,0.356049417,-0.160977036,-0.229202548,-0.079585197,-0.155206966,-0.18523339,-0.118990486,-0.188047311
3533,C27 H36 F2 O6,Flumethasone pivalate Esi+10.583007,494.2487,10.583007,2.051715007,1.931979629,2.317871015,2.090202078,2.142073908,1.989894675,2.179217087,2.400489102,2.159004841,2.688575588,2.329246922,2.476192098,2.321188281,2.451617262
3534,C18 H48 N9 O4 P,C18 H48 N9 O4 P Esi+9.501981,485.3569,9.501981,0.311699427,0.308846293,0.422465418,0.414555454,0.275598765,0.462714391,0.249207443,-0.623397439,-0.545151312,-0.716743697,-0.633409061,-0.660950161,-0.805069861,-0.506266536
3535,C29 H N O15 P,C29 H N O15 P,633.9091,10.444001,0.547680267,0.720090985,0.341501547,0.446816646,0.513134702,0.659567614,0.486025497,0.28668592,0.397175115,0.154874249,0.309495416,0.237410477,0.396691837,0.215761053
3536,<none>,<none> Esi+8.751981,517.8261,8.751981,0.408670089,0.603331405,0.047893197,0.271035785,0.470569064,0.46072874,0.311298986,0.141117977,0.282825435,-0.027936534,0.095636711,0.183056709,0.217227514,0.092047355
3537,C42 H74 O14,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid Esi+13.972972 :2,819.5338,13.972972,0.047850935,0.180786641,0.399627406,0.029627868,0.165397138,0.107295095,0.192072916,0.205440328,-0.080030955,0.54600256,0.175484513,0.232990476,0.043583496,0.309795391
3538,C21 H38 O7,Erythronolide B Esi+10.946023,402.2622,10.946023,0.18148358,0.09142082,0.178239681,0.133802325,0.046232184,0.19292301,0.154156018,0.375275095,0.285217199,0.482712584,0.504981234,0.157319953,0.492698192,0.299568097
3539,C32 H50 O5,Tsugaric acid C Esi+15.081037,514.3629,15.081037,0.993209178,1.102253227,0.713122051,1.008553091,0.895850384,0.855152051,0.959633485,-0.637242344,-0.788842071,-0.45638653,-0.629180687,-0.674737951,-0.519901314,-0.71289643
3540,C13 H2 N O12 P S,C13 H2 N O12 P S,426.904,4.810995,1.226267049,1.336021065,0.980307274,1.342498105,1.078024639,1.138484817,1.277933065,0.675983513,0.85750206,0.459435071,0.727840254,0.615293598,0.682288848,0.671918231
3541,C26 H36 O3,Estradiol Cypionate Esi+7.0080214,396.2719,7.0080214,0.630465422,0.453327085,0.87931893,0.747362712,0.524533833,0.490024712,0.671080637,-0.325879846,-0.199184015,-0.47702575,-0.314571262,-0.363029381,-0.208011259,-0.401874067
3542,C31 H39 N5 O4,Americine,545.2961,15.925033,1.023343407,1.238341529,0.652442608,1.168156135,0.750715966,1.116322236,0.928689489,-0.886961208,-1.153681655,-0.568768394,-0.97875962,-0.768808682,-1.033133712,-0.792718409
3543,C22 H30 O,14'-apo-beta-carotenal,327.259,14.396977,2.42186299,2.540536706,2.293017014,2.522872258,2.481120247,2.630164406,2.396092705,-2.072054273,-2.323882968,-1.771627057,-2.029468699,-2.128037725,-2.073891601,-2.070869679
3544,C22 H38 N O5 P,Anandamide 0-phosphate,427.2535,6.411009,0.550602113,0.206631766,0.875725519,0.374548207,0.684204343,0.249351646,0.705955805,0.428533862,0.208145285,0.691453568,0.293388276,0.604080717,0.195109845,0.579030926
3545,C27 H42 F2 O2,"24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol",435.3085,9.821023,0.493223621,0.61552654,0.18846121,0.445462335,0.471737676,0.403928079,0.456049773,-0.232880395,-0.388180357,-0.047610264,-0.209293807,-0.275676263,-0.211355961,-0.24675799
3546,C19 H30 O8,Sonchuionoside C Esi+8.644018,386.193,8.644018,0.289649728,0.265849576,0.246416921,0.327165595,0.199722023,0.062183239,0.455508515,-0.18321894,-0.209424017,-0.151956744,-0.178624669,-0.204321772,0.054497383,-0.336483412
3547,C27 H52 O3,C27 H52 O3,424.3905,15.938978,1.100466554,1.044920594,0.977661336,0.98338609,1.019439081,1.042213841,0.989238082,-0.768174268,-0.891048302,-0.6215877,-0.73900208,-0.80758767,-0.799676372,-0.7478637
3548,C31 H70 Cl N24 P,C31 H70 Cl N24 P,844.5668,13.941964,0.217267549,0.332760059,0.057085223,0.342812404,0.002703494,0.162939487,0.148380711,-0.133935408,-0.179595854,-0.079463296,-0.142810215,-0.138554157,-0.032082413,-0.199603786
3549,C33 H58 N19 O2,C33 H58 N19 O2,752.5142,13.871026,0.068529495,0.011566284,0.269014098,0.008095358,0.210872954,0.082035337,0.139455476,0.085166229,0.046334065,0.131492318,0.093966742,0.056271841,0.113356414,0.066990978
3550,C32 H42 O7,Euphorbia factor Ti2,538.295,5.7469935,0.798229063,1.006734464,0.605493055,0.945681651,0.530581994,1.094874607,0.594907494,0.408785984,0.525846687,0.26913462,0.496004304,0.262563039,0.638347167,0.260779433
3551,<none>,<none> Esi+7.2619896,492.6427,7.2619896,0.685030829,0.514129008,0.541494275,0.324696068,0.807978469,0.586813847,0.565143151,0.332340764,0.331032467,0.333901538,0.239804051,0.459442902,0.345216288,0.324039439
3552,C16 H22 N4 O3,Eseramine Esi+7.5620093,318.1673,7.5620093,0.783090542,0.669980513,0.934804144,0.7266862,0.788285896,0.826899621,0.769009502,0.536349691,0.472524112,0.612492486,0.637813861,0.428041668,0.658772451,0.457419227
3553,C36 H69 N O3 P S2,C36 H69 N O3 P S2,658.4451,12.641033,0.259955397,0.114538988,0.642568141,0.249008421,0.347357109,0.371447915,0.274601435,0.147953086,0.048973188,0.266034368,0.142611893,0.136017708,0.187251295,0.122616083
3554,C30 H64 N2 O7 S,C30 H64 N2 O7 S,594.4356,16.076963,0.988758115,1.149636099,0.627844918,1.054077367,0.79620015,0.901332031,0.962062475,-0.775385042,-0.945540294,-0.572392811,-0.79073945,-0.749172028,-0.794800064,-0.762867462
3555,C34 H67 O10 P,PG(12:0/16:0),666.4412,11.6110115,0.328968486,0.191174988,0.620257381,0.185743911,0.534231912,0.195523976,0.467360815,0.291047349,0.150423845,0.458808721,0.172862407,0.421928048,0.16450438,0.372634263
3556,C10 H14 N2 O2,Laccarin,194.1063,3.606004,0.262636362,0.170252484,0.279833618,0.327792167,0.037299571,0.510695291,0.00994339,-0.160160403,-0.083375725,-0.251763176,-0.198814691,-0.040284055,-0.459907821,0.033097801
3557,C14 H15 N,2-(3-Phenylpropyl)pyridine,197.1199,5.605995,0.048353868,0.150951151,0.220674872,0.214931956,0.442087909,0.066050543,0.094755121,0.008747971,0.284217811,-0.319882716,0.332434208,-0.482058103,0.226668895,-0.131753678
3558,C31 H61 N8 O6,C31 H61 N8 O6,641.4704,14.300032,0.41751347,0.680642831,0.139979062,0.306964045,0.352254076,0.496045921,0.229780939,-0.10805297,-0.254060286,0.066131197,-0.09292848,-0.130625759,-0.176243743,-0.064087866
3559,C26 H60 N24 O P,C26 H60 N24 O P,753.4908,11.385008,0.882886817,0.942987881,0.763470476,0.969844216,0.668140919,1.072666799,0.727578851,0.630348743,0.687842942,0.561759172,0.717259363,0.474702222,0.809340142,0.514946394
3560,C13 H16 N2 O4,Alpha-N-Phenylacetyl-L-glutamine Esi+4.620985,264.11,4.620985,0.203060897,0.276964276,0.000640241,0.037929358,0.366011603,0.359026907,0.078084465,0.111881213,0.328876456,-0.146990305,0.11330859,0.077475693,0.363295349,-0.050214743
3561,<none>,<none> Esi+8.18701 :1,946.9289,8.18701,0.171003241,0.121564494,0.509094332,0.319900065,0.151350718,0.117104635,0.258482395,0.00926381,0.018683472,-0.001973682,-0.070232482,0.117366419,0.001340466,0.014372281
3562,C32 H56 O9,C32 H56 O9 Esi+13.497006,584.3916,13.497006,1.359416465,1.277612565,1.448169938,1.401863972,1.341944641,1.32882049,1.415999011,1.508064487,1.332614596,1.71737313,1.510963323,1.478809253,1.389741299,1.584351806
3563,C29 H44 O5,"(23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione",489.3435,12.898986,0.582377474,0.703658982,0.288619026,0.72038953,0.296518351,0.619708858,0.44043981,-0.181383737,-0.257244115,-0.090883638,-0.191408044,-0.175141476,-0.171195932,-0.187952191
3564,C33 H52 O5,Tsugaric acid B,528.3749,12.09798,0.166081297,0.013035039,0.389844538,0.125784056,0.251253062,0.34305919,0.028381857,0.305760472,0.112132223,0.536755575,0.195836817,0.427894639,0.497125269,0.182380536
3565,C18 H24 O5,"Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene",320.1593,13.362041,0.554445702,0.774120343,0.034007119,0.545040746,0.334948742,0.642816358,0.383941266,-0.352930039,-0.520374582,-0.153171636,-0.411209972,-0.245386356,-0.467851667,-0.278835831
3566,C37 H80 Cl N17 O8,C37 H80 Cl N17 O8,925.6107,13.408992,0.724637385,0.641030221,0.794665184,0.68713303,0.678409547,0.767324194,0.698775013,0.478703083,0.441910523,0.522595961,0.487197188,0.442273533,0.530409822,0.445365844
3567,C43 H72 O11,Narasin,764.5094,13.558035,1.182024486,1.270824407,1.20445009,1.1949527,1.249919353,1.267212232,1.244961695,0.668872643,0.708882132,0.621142024,0.655627854,0.673915658,0.705502452,0.645256056
3568,C28 H40 N7 O18 P3 S,3-Hydroxybenzoyl-CoA,909.1163,12.789003,0.076964245,0.125643424,0.114783997,0.00617659,0.045128753,0.065974335,0.08842828,0.036101685,0.003346503,0.075178042,0.078136474,-0.044203912,0.0919132,0.000117945
3569,C41 H70 O13,Pseudoginsenoside RT3,792.4635,14.01703,0.480315864,0.386315288,0.691018712,0.509625316,0.477547833,0.573260513,0.430597455,0.352655265,0.306948913,0.407182141,0.395543316,0.285554626,0.384497646,0.332125309
3570,C25 H34 O8,6-dehydrotestosterone 17-glucosiduronic acid,462.2236,10.761985,0.769725119,0.801917983,0.669561576,0.799702399,0.769128501,0.381631739,0.980653874,-0.653583506,-0.750516448,-0.537944207,-0.540196564,-0.831348986,-0.267087917,-0.902771452
3571,C17 H30 Cl2 N5 O8 P S,4-Glutathionyl cyclophosphamide,587.0743,13.230973,0.373744123,0.469685443,0.041832074,0.441006769,0.031955353,0.337313092,0.254687963,-0.09155134,-0.160930186,-0.008783594,-0.10582946,-0.086008219,-0.092902732,-0.090680049
3572,C15 H29 N O2,C15 H29 N O2,255.219,10.810035,0.158483795,0.223386579,0.062979329,0.092057986,0.118602031,0.255302659,0.019094813,-0.039213645,-0.041980004,-0.035913426,0.012741133,-0.104268366,-0.058888953,-0.026528248
3573,C36 H65 N O13,Erythromycin C Esi+13.14998,719.446,13.14998,0.435994792,0.371031041,0.492954021,0.554602475,0.247922132,0.388867025,0.46130397,0.420613025,0.40505545,0.43917294,0.614875601,0.147935119,0.391511131,0.439376089
3574,C50 H79 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",852.5627,13.281986,1.088302029,0.948701022,1.225884572,1.047606779,1.047970416,1.047720733,1.107198476,0.584635678,0.564568806,0.608575104,0.587220757,0.562133796,0.617235422,0.563617421
3575,C33 H52 O8,Trillin Esi+15.592028,576.3637,15.592028,0.266604629,0.215762479,0.355456191,0.278465705,0.230620778,0.44377931,0.207626944,0.315403443,0.271893954,0.3673095,0.378926587,0.225371168,0.447796278,0.230044905
3576,C23 H43 N O3 S,N-oleoyl methionine Esi+9.103021,412.2903,9.103021,0.952353465,0.991297694,0.95566753,1.13440353,0.748564082,1.269956624,0.772580998,-0.856640387,-0.819674772,-0.900739717,-1.017682679,-0.656222319,-0.964940539,-0.786815289
3577,C25 H42 N6 O7,C25 H42 N6 O7,538.3115,12.343995,0.581418059,0.432745807,0.753447347,0.555162486,0.621196488,0.681116833,0.479498463,0.712795727,0.561625598,0.893139039,0.736716021,0.685885144,0.818850034,0.644418608
3578,C19 H34 O7,Tsangane L 3-glucoside Esi+11.457008,396.2099,11.457008,2.023053259,1.773282121,2.294026425,1.839810747,2.190220485,1.913188244,2.05988456,3.233701077,2.758215989,3.800946446,3.079377425,3.460439842,3.073779411,3.336808468
3579,C15 H20 O5,Autumnolide,280.1308,11.022971,1.437823593,1.576774271,1.172274649,1.564395901,1.44247312,1.596862037,1.352020247,-0.565549354,-0.695489513,-0.410533024,-0.549548814,-0.59613721,-0.589010047,-0.550423381
3580,C24 H48 N O9 P,PS(18:0/0:0) Esi+12.939961,542.3337,12.939961,1.179863804,1.485858594,0.768575132,1.21470844,1.248548243,1.447219927,1.105473232,-0.705590169,-0.919444483,-0.450465724,-0.621716382,-0.80747064,-0.788870432,-0.651896315
3581,C23 H3 N4 O20,C23 H3 N4 O20 Esi+12.719975,654.9334,12.719975,1.541361817,1.500606045,1.751840103,1.56916053,1.605186768,1.501137067,1.678176957,0.743226426,0.755893133,0.728115267,0.755985086,0.705912468,0.745398812,0.741825809
3582,<none>,<none> Esi+10.493002,601.4024,10.493002,0.294733562,0.390637515,0.083332504,0.282359732,0.284468112,0.11872128,0.370462309,-0.19557322,-0.329080112,-0.036301841,-0.166733206,-0.2925277,0.033282027,-0.34312463
3583,C41 H70 O13,Pseudoginsenoside RT3 Esi+12.311019,787.5139,12.311019,1.241085185,1.197899525,1.262386088,1.211322265,1.199678891,1.236903522,1.244923215,0.679924363,0.717187383,0.635470233,0.693665557,0.634819048,0.736743492,0.643290977
3584,C48 H77 N4 O4 P,C48 H77 N4 O4 P,804.5729,14.49803,0.807198802,0.719258148,0.833044976,0.910449681,0.70869278,0.691347535,0.789313693,-0.434311412,-0.460419501,-0.40316492,-0.454013257,-0.438309012,-0.384035205,-0.466726335
3585,C46 H84 N O10 P,"PS(18:1(9Z)/22:2(13Z,16Z))",841.5841,14.006035,0.739231059,0.849343618,0.382723583,0.860019075,0.409258529,0.639067323,0.654276963,-0.309386668,-0.410595491,-0.188646317,-0.31580697,-0.317181118,-0.27150825,-0.333808279
3586,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+9.121982",298.1415,9.121982,0.122905247,0.30718175,0.113350412,0.252250269,0.063754783,0.135052961,0.139413872,-0.099222618,-0.277418505,0.113361948,-0.198364308,0.04952397,-0.158298073,-0.061134496
3587,C18 H24 O5,Zearalanone,342.1454,7.998008,1.5697601,1.388449527,1.710810345,1.304234277,1.934154295,1.065352835,1.880424392,2.288570303,2.070479098,2.548749285,1.883308054,2.844537193,1.591471117,2.738015831
3588,C25 H34 O8,6-dehydrotestosterone 17-glucosiduronic acid Esi+9.8689995,462.225,9.8689995,1.419796217,1.117471657,1.581955237,1.201138043,1.430858964,1.242608579,1.335027989,1.365552372,1.208153001,1.55332706,1.293209669,1.459302342,1.346008359,1.378153117
3589,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Esi+3.6680124",184.0734,3.6680124,0.117110895,0.295266158,0.093103857,0.264267755,0.029737703,0.117669116,0.289362251,-0.164188033,-0.334813173,0.039364765,-0.210788696,-0.064249233,0.134593869,-0.356823733
3590,C25 H39 N O5,N-arachidonoyl glutamic acid,450.3086,13.024975,1.401731842,1.236171541,1.675724491,1.567517617,1.34643461,1.200301815,1.629834784,0.854403693,0.803447646,0.915193362,0.898804957,0.778700366,0.808880205,0.883754362
3591,C16 H16 Cl2 N5 O6 P S4,C16 H16 Cl2 N5 O6 P S4,602.9095,13.762959,1.941565651,1.987522288,1.936280381,1.975773993,1.970973256,2.01491105,1.961432216,1.370663908,1.468096216,1.254428874,1.390491594,1.324466477,1.435599966,1.328797239
3592,C31 H48 N3 O11,C31 H48 N3 O11,638.3283,12.045983,0.505316418,0.449338827,0.54669499,0.580462298,0.393132152,0.604871531,0.478730429,0.446363851,0.400406437,0.50119024,0.528346362,0.329540799,0.516379801,0.401221989
3593,C20 H38 O12,"(R)-1-O-[b-D-Glucopyranosyl-(1-6)-b-D-glucopyranoside]-1,3-octanediol",487.2578,12.197017,0.420069915,0.398970804,0.555017068,0.244630569,0.7277095,0.306758547,0.503977824,-0.437491312,-0.26823786,-0.639407712,-0.277437162,-0.706410269,-0.295660805,-0.528934666
3594,<none>,<none> Esi+12.761978,518.6949,12.761978,0.285320321,0.374695864,0.035492358,0.465068658,0.039222861,0.345902417,0.172385543,-0.09741792,-0.134255362,-0.053471499,-0.132578257,-0.050848045,-0.114084039,-0.08667266
3595,C35 H62 O7,cis-Annonacin-10-one Esi+11.787026,616.431,11.787026,0.070069911,0.161443412,0.194182887,0.135100366,0.075052287,0.039190344,0.016665454,0.002033883,-0.03781069,0.049567759,0.008903504,-0.026648339,0.060298189,-0.035531262
3596,<none>,<none> Esi+12.2019825,559.7012,12.2019825,1.619504469,1.621391602,1.645370797,1.603776983,1.682949151,1.609383041,1.702105306,0.954474146,0.997384595,0.903282734,0.960840552,0.93043987,0.977305291,0.939754066
3597,C33 H64 O2,"10,12-Tritriacontanedione",509.5162,14.425032,0.30656523,0.176284483,0.40343264,0.051952998,0.508371723,0.265906531,0.325590696,0.39818453,0.320476369,0.490889003,0.257864649,0.581073269,0.300275621,0.461310011
3598,C35 H8 O15 P,C35 H8 O15 P,698.9595,12.5649605,1.853085994,1.799237201,1.865173682,1.865649188,1.796821344,1.865114948,1.833056493,1.245566942,1.274001036,1.211645566,1.262643189,1.201266942,1.312420033,1.202464291
3599,C13 H28 O4,alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene),248.1987,9.509012,0.136277602,0.100594737,0.178650496,0.185574159,0.064181492,0.174209784,0.077587078,-0.062978885,-0.02935306,-0.103093904,-0.054957428,-0.078854677,-0.044017505,-0.075203985
3600,C5 H7 N O3,C5 H7 N O3,129.0331,1.1099994,0.422877099,0.47217514,0.341835995,0.313352837,0.438402829,0.170651225,0.566595951,-0.239018051,-0.293532015,-0.173983849,-0.215275366,-0.248908777,-0.173011329,-0.281575017
3601,C24 H40 N6 O8,C24 H40 N6 O8 Esi+10.066,540.293,10.066,1.652661064,1.60877749,1.656257541,1.624455834,1.677389792,1.655463829,1.676156585,2.185119753,2.103426859,2.282577942,2.135368775,2.214074587,2.20883688,2.169828447
3602,C32 H51 N O11,Glycochenodeoxycholic acid 3-glucuronide,625.3455,8.682004,0.231095458,0.224093151,0.080372186,0.01246907,0.415019269,0.236268443,0.171103536,0.147498794,0.287053956,-0.018988066,0.128119814,0.191527254,0.280090139,0.062012269
3603,C54 H85 N10 O S,C54 H85 N10 O S,921.6593,12.936021,0.033673324,0.051941864,0.270650197,0.019736958,0.158138131,0.174107374,0.067607259,0.078728592,0.037325168,0.128122151,0.103632068,0.021085,0.172332727,0.018378558
3604,C18 H46 N20 O,C18 H46 N20 O,558.4166,10.88899,0.140867702,0.187829473,0.014293052,0.244162861,0.045282467,0.008362501,0.102691819,-0.038746814,-0.048573383,-0.027023889,-0.035996788,-0.068737171,0.049346809,-0.095544018
3605,C24 H5 N2 O19 P,C24 H5 N2 O19 P Esi+10.419998,655.9223,10.419998,0.60050171,0.742379409,0.334224027,0.505865483,0.540801447,0.750014064,0.463892204,0.31802517,0.437803975,0.175131157,0.346895588,0.253814645,0.46903845,0.220661345
3606,C40 H54 O2,2'-Dehydroplectaniaxanthin,588.3952,9.245991,0.412857044,0.399241715,0.390973459,0.683937988,0.033045483,0.550847906,0.311190544,-0.46491705,-0.460812741,-0.469813418,-0.648100466,-0.221805625,-0.473028006,-0.459687617
3607,C26 H51 N5 O4,C26 H51 N5 O4,497.3901,12.985032,0.169912491,0.210167384,0.039759629,0.073881531,0.124907732,0.058190466,0.182306676,-0.035353863,-0.063324593,-0.001985274,0.011610192,-0.116279225,0.054323745,-0.093172321
3608,C18 H28 N3 O3,C18 H28 N3 O3,334.2117,11.19898,0.743840472,0.876600321,0.638229586,0.936176606,0.648913556,1.034217223,0.571378006,0.34519024,0.389606961,0.292201872,0.401539109,0.281138653,0.444740338,0.281006625
3609,C39 H72 N O9 P,"PS(P-16:0/17:2(9Z,12Z)) Esi+13.993965",746.5259,13.993965,0.338742426,0.471412103,0.104664538,0.387855442,0.08536844,0.260463223,0.192692188,-0.161026092,-0.254019895,-0.050086116,-0.171827368,-0.16343379,-0.151086861,-0.16743428
3610,C47 H92 N O10 P,PS(22:0/19:0) Esi+14.107968,861.637,14.107968,0.75284264,0.787903414,0.348252621,0.72961971,0.54044357,0.644169964,0.684681963,-0.367294095,-0.485355914,-0.226448417,-0.352958316,-0.389487275,-0.349257887,-0.378922703
3611,C18 H32 N8 O5,C18 H32 N8 O5,440.2394,8.720979,1.552030446,1.565186501,1.313768424,1.490184264,1.436076283,1.470440969,1.482779985,2.189438313,2.267907546,2.095825896,2.12191279,2.258483818,2.161928672,2.207174793
3612,C24 H25 N3 O6,Nap-Lys-OH,450.1655,9.939967,0.808356009,0.909995831,0.50330452,0.673374911,0.775306399,1.006935469,0.539689107,-0.295379037,-0.383166733,-0.190649855,-0.292732413,-0.298548053,-0.434304476,-0.205808688
3613,<none>,<none> Esi+12.607975 :1,836.0692,12.607975,0.212594568,0.049054841,0.522026828,0.227438569,0.18409054,0.259850833,0.22558232,0.151075265,0.081364788,0.234238641,0.17224273,0.099077615,0.178074712,0.133667727
3614,C35 H54 O9,"2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol Esi+13.492981",640.3584,13.492981,1.304922567,1.217286749,1.423984157,1.465356641,1.198999779,1.390534237,1.299798157,0.961839302,0.88212579,1.056936124,1.00909684,0.880707346,0.967012697,0.958503824
3615,C34 H67 N O8 P,PC(12:0/14:1(9Z)) Esi+7.962012,647.4446,7.962012,0.579057356,0.532180966,0.622900393,0.760065098,0.334611354,0.842298329,0.375293725,-0.920101424,-0.826894719,-1.031295387,-1.123493601,-0.642078222,-1.196162318,-0.742114795
3616,C35 H58 O7,Melilotoside A,612.3986,11.285978,1.199343334,1.208252756,1.169355399,1.197059474,1.172254054,1.189823878,1.223020264,1.142891593,1.191946182,1.08437033,1.161008694,1.08267141,1.196993047,1.108010393
3617,C12 H20 O5,"Polyethylene, oxidized Esi+4.5609903",244.129,4.5609903,0.200966168,0.318413959,0.006489438,0.225376495,0.141361369,0.129946857,0.19913283,-0.274100561,-0.461248601,-0.050836232,-0.282116194,-0.233510637,-0.26563136,-0.279560967
3618,C15 H28 N7 O,C15 H28 N7 O Esi+8.697016,322.2349,8.697016,0.227943741,0.251847984,0.304852578,0.314788226,0.168435335,0.181038875,0.265024957,-0.282175848,-0.189929029,-0.392224684,-0.315319154,-0.254536959,-0.161189468,-0.360180224
3619,C7 H8 N6 O2,C7 H8 N6 O2,208.071,4.8360076,0.486320168,0.360621073,0.632270391,0.263874074,0.638905636,0.546642322,0.416961121,0.548902951,0.44819362,0.669047416,0.451853199,0.646358955,0.705955642,0.447645295
3620,C17 H43 N7 O6,C17 H43 N7 O6,439.3192,9.512973,0.93953622,1.080455123,0.681865683,0.951271526,0.907384357,1.003842143,0.851300439,1.409108505,1.62140285,1.155845075,1.30717253,1.551827179,1.493392214,1.354767692
3621,C36 H68 Cl O2 S2,C36 H68 Cl O2 S2,631.4325,13.979984,0.547791689,0.628282686,0.389266594,0.422170913,0.621623537,0.539072633,0.478188197,-0.368874078,-0.4550322,-0.26608895,-0.250987916,-0.544934173,-0.370330322,-0.367935183
3622,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+11.121997,508.2645,11.121997,1.582696301,1.41771848,1.756899054,1.475615167,1.69271846,1.562554404,1.603318665,1.595248534,1.48023735,1.732454858,1.546690742,1.648385196,1.618895912,1.580002198
3623,C27 H36 F2 O6,Flumethasone pivalate Esi+10.569981,494.2486,10.569981,2.218710854,2.081790935,2.468207754,2.235782942,2.316405149,2.071792921,2.368572648,2.606511048,2.351490789,2.910745744,2.511143467,2.718107409,2.473178951,2.692475164
3624,C13 H13 Cl N6 O12 P,C13 H13 Cl N6 O12 P,511.0032,11.943031,1.835277732,1.800807496,1.937942144,1.888567315,1.78247144,1.824934807,1.905591001,1.041944301,1.092764945,0.981316164,1.081243925,0.962558767,1.065817636,1.026552282
3625,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.262996,312.1546,7.262996,2.744823177,2.665141298,2.892854802,2.73968277,2.898690224,2.690945791,2.844183259,2.732536389,2.624025741,2.861987689,2.63015235,2.856114854,2.633340605,2.796491567
3626,<none>,<none> Esi+12.847974,748.0173,12.847974,0.253157268,0.184172529,0.472341028,0.191813028,0.409802275,0.315533422,0.320669451,0.182417159,0.158948239,0.21041517,0.203639582,0.136248821,0.233486276,0.149491019
3627,C13 H22 O5,C13 H22 O5 Esi+6.69101,258.1462,6.69101,0.997947375,0.949203968,1.044829703,1.018707508,0.911308919,1.131399746,0.916137702,0.540532259,0.500307233,0.588520009,0.60127761,0.451879496,0.677166842,0.452438909
3628,C9 H6 O,C9 H6 O,129.058,2.6770017,0.002147666,0.146195938,0.1562159,0.085965657,0.046831928,0.054404384,0.02971382,-0.035153545,0.029434734,-0.112206229,-0.026371039,-0.031076614,-0.003069031,-0.055839613
3629,C33 H44 O2,Reticulataxanthin Esi+14.018013,472.3374,14.018013,0.594349282,0.474329361,0.738024104,0.675653618,0.413433909,0.557807129,0.605811695,0.337853551,0.289671314,0.395334113,0.403259077,0.233041309,0.368431311,0.318138942
3630,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+11.568017",364.1857,11.568017,0.175840563,0.300965414,0.005903431,0.106437188,0.326052463,0.059693739,0.268017776,-0.100786032,-0.22546713,0.047956331,0.002672662,-0.217330035,-0.04094672,-0.139366641
3631,C20 H43 N O,"2-amino-14,16-dimethyloctadecan-3-ol",313.334,12.903016,0.533131647,0.612079216,0.251429308,0.470559178,0.428586296,0.617985231,0.363611376,-0.190523754,-0.287960438,-0.0742835,-0.179080959,-0.213902934,-0.333569304,-0.098297019
3632,C40 H48,Isorenieratene/ (Leprotene) Esi+8.843012,527.3655,8.843012,0.39275428,0.20508733,0.557898533,0.32719068,0.343591429,0.37619333,0.364000237,0.590163897,0.435960273,0.774126116,0.58383402,0.554426052,0.609637271,0.577608696
3633,C33 H48 O8,"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone",589.3668,7.1340065,0.937474695,0.77704455,1.21063406,0.919311096,1.129302541,0.719927625,1.095201715,-0.723492268,-0.421779596,-1.083430193,-0.609965684,-0.900931174,-0.38553774,-0.941384003
3634,C30 H50,"2,6,10,15,19,23-Hexamethyl-2,6E,10E,14E,18Z,22-tetracosahexaene",410.3867,13.488019,1.906381549,1.843042668,1.911194819,1.831662507,1.90392593,1.742632155,1.938518129,-1.990793354,-2.016594536,-1.960012996,-2.017163523,-1.981610128,-2.003301581,-1.982728839
3635,C30 H36 O4,Sophoranone Esi+10.364012,477.2956,10.364012,1.266672965,1.045134725,1.448462222,1.222984066,1.208785698,1.217270757,1.226890182,2.070110462,1.840589208,2.34392529,2.02574004,2.104396224,2.001303209,2.114473032
3636,C45 H70 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi+14.488024",690.5204,14.488024,0.400843274,0.66409739,0.023803116,0.62689871,0.232804871,0.612630459,0.315698414,-0.372828514,-0.613621055,-0.085567237,-0.563264451,-0.121171174,-0.551850662,-0.257406339
3637,C5 H14 N O,Choline Esi+9.155022,103.0996,9.155022,0.649483284,0.613046533,0.556138741,0.709200688,0.388220375,0.705708405,0.530538088,-0.782854087,-0.849960593,-0.702797201,-1.01891875,-0.468902373,-1.006784291,-0.638478034
3638,C13 H28 N7 O6 P S5,C13 H28 N7 O6 P S5,569.0451,12.950988,1.976969082,2.003209008,2.040172893,2.032353146,2.064176846,2.060570611,2.029597538,0.969860708,1.01921391,0.910983205,0.988423345,0.92931738,0.997935339,0.95175996
3639,<none>,<none> Esi+13.983959,630.449,13.983959,0.192366423,0.092191341,0.381900319,0.234197002,0.258305489,0.065404723,0.329323073,-0.13307478,-0.035494481,-0.249486365,-0.115481008,-0.184790716,-0.03679568,-0.195149463
3640,C26 H52 N O8 P,PS(P-20:0/0:0) Esi+13.560039,536.3322,13.560039,1.256842076,1.129841185,1.328686546,1.240607326,1.237536655,1.034379924,1.401589476,0.887259687,0.813581876,0.975156023,0.876795687,0.90550144,0.749730658,0.97592972
3641,C9 H11 N O2,Methyl N-methylanthranilate,165.0783,0.87899864,0.633520155,0.652666508,0.562292789,0.673908111,0.704248076,0.518804728,0.7761604,-0.239734998,-0.3375758,-0.123012639,-0.292657791,-0.165634503,-0.314922239,-0.191259014
3642,C46 H66 O6,(2'S)-Deoxymyxol 2'-?-L-fucoside Esi+14.42999,731.5183,14.42999,0.608463381,0.739016904,0.322209042,0.630556238,0.537663435,0.654049017,0.495704588,-0.817180228,-0.987248739,-0.614291479,-0.815567658,-0.844153247,-0.905101125,-0.760494387
3643,C34 H50 N6 S,C34 H50 N6 S,574.3759,12.580009,0.375276691,0.360794104,0.256053634,0.300520647,0.382770711,0.207367314,0.454218087,-0.183558644,-0.208947296,-0.153270428,-0.161352454,-0.24874896,-0.092199806,-0.242461054
3644,C43 H65 N5 O10,Telithromycin Esi+8.203002,414.2523,8.203002,0.300384023,0.05878648,0.539037031,0.425770965,0.158076929,0.212743551,0.306607194,-0.132753822,-0.00305749,-0.287479272,-0.136510751,-0.149262281,-0.042933166,-0.190664509
3645,C50 H90 O7 P2,All trans decaprenyl diphosphate Esi+13.058022,443.3032,13.058022,0.331077782,0.31223994,0.426180723,0.285940839,0.576040511,0.619286208,0.188008233,0.381328807,0.364539344,0.401358343,0.34331871,0.465381855,0.617128486,0.229300067
3646,C10 H14 N6 O3,C10 H14 N6 O3,264.1103,4.565002,0.489369364,0.468985874,0.415353179,0.384034943,0.466038854,0.394307299,0.475370904,0.388257037,0.426437806,0.342708049,0.378148204,0.392116343,0.3948039,0.384036033
3647,C26 H44 O8,Goshonoside F2 Esi+14.231987 :1,484.3035,14.231987,0.521883079,0.216197347,0.973275635,0.431111226,0.638997369,0.531662161,0.564903285,0.476719145,0.287763846,0.702139501,0.43050156,0.537504309,0.441013295,0.499740022
3648,C17 H14 N8 O18 P S,C17 H14 N8 O18 P S,680.9873,14.243963,0.680800813,0.783535081,0.326369639,0.71075069,0.434564306,0.62723633,0.580152545,-0.340985898,-0.440645582,-0.222093642,-0.373131042,-0.300050697,-0.31858547,-0.355428279
3649,C20 H39 N O7,C20 H39 N O7,405.2714,13.320009,0.250923622,0.270745561,0.304561035,0.336044943,0.307385477,0.360004064,0.244317351,0.164916603,0.153531543,0.17849878,0.168093871,0.166228807,0.175002502,0.158413852
3650,C50 H89 N O16,C50 H89 N O16,959.6178,14.48199,1.529255549,1.628766374,1.234961896,1.479503518,1.465181769,1.29346755,1.586818544,-1.215926347,-1.344562208,-1.062466021,-1.125870889,-1.347439393,-1.038709337,-1.330184682
3651,C42 H73 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/12:0)",749.5035,13.970965,0.764451767,0.664042496,0.844612173,0.698639399,0.703107699,0.684795258,0.819104464,0.667922749,0.617207061,0.728425674,0.684217917,0.61956608,0.678787415,0.660917898
3652,C35 H58 N4 O3 S,Arachidonic Acid-biotin Esi+9.087999,636.4068,9.087999,0.310330872,0.509965814,0.016689239,0.243396462,0.275469888,0.453480397,0.2181343,0.128254741,0.261164894,-0.030304739,0.138923613,0.095472957,0.259638307,0.043546916
3653,C25 H50 N O4,(R)-Stearoylcarnitine Esi+12.726014,427.365,12.726014,0.872783959,1.216388477,0.196804384,0.767240063,0.810137684,0.773161753,0.788727705,-0.552116771,-0.937431641,-0.092442892,-0.554958424,-0.547045815,-0.648359155,-0.490065761
3654,C16 H6 O25 P,C16 H6 O25 P,628.8929,12.298018,1.669405512,1.716872112,1.657006859,1.714707617,1.630693196,1.776384282,1.652119757,0.716009744,0.761186012,0.662115249,0.74532936,0.658580513,0.771369953,0.680316977
3655,C22 H24 N6 O4,C22 H24 N6 O4,434.1924,11.781987,0.053316389,0.075818046,0.230517909,0.219866847,0.252111307,0.036995034,0.102198783,-0.001356607,-0.043936914,0.049440951,0.062310922,-0.100592925,-0.043440907,0.025776691
3656,C19 H34 O5,13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid Esi+11.570001,342.2407,11.570001,0.514628446,0.677716,0.227488786,0.632446239,0.388797853,0.52090701,0.463523388,-0.356709975,-0.546210884,-0.130638714,-0.375423881,-0.33132707,-0.42748705,-0.311077387
3657,C31 H59 N8 P,C31 H59 N8 P,574.4593,16.064957,1.354464475,1.447023677,1.10116208,1.381847953,1.187067772,1.302887155,1.272348495,-1.187448046,-1.414071542,-0.917090191,-1.21531769,-1.158818901,-1.226187409,-1.162471351
3658,C17 H37 N O2,C17 Sphinganine Esi+10.090008,287.2824,10.090008,1.030999517,1.314828226,0.82164612,1.320730939,1.063607945,1.812872311,0.897228267,-0.682988127,-0.704855292,-0.656900982,-0.683147311,-0.668152196,-0.639814356,-0.710823848
3659,C32 H52 O5,22-Acetylpriverogenin B Esi+15.541993,516.3788,15.541993,1.61138573,1.646825157,1.505657581,1.671088204,1.480343264,1.681223619,1.504857947,-1.674239812,-1.888685255,-1.418410161,-1.810606449,-1.522531545,-1.845252724,-1.563981488
3660,C18 H42 N17 O,C18 H42 N17 O,512.3764,14.17897,0.056383903,0.031584026,0.260852104,0.045472726,0.09606532,0.171994569,0.033078216,-0.033332754,-0.063338166,0.002463176,-0.036434976,-0.039473113,0.091677505,-0.113931473
3661,C29 H48 O3 S,"1?,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epicholecalciferol",476.3358,12.383034,0.915131804,0.85977051,0.903379997,1.012154173,0.813922256,0.974698363,0.852131971,0.736775701,0.679088503,0.805595517,0.793012415,0.653177432,0.754285077,0.725486762
3662,C23 H36 O8,3''-HydroxyPravastatin Esi+10.547018,462.223,10.547018,0.37782128,0.363020461,0.467700087,0.460398335,0.232731641,0.555993189,0.28194626,0.415181077,0.338767327,0.506341339,0.523228893,0.266405726,0.571874865,0.314154819
3663,C28 H55 O8 P,PA(13:0/12:0),567.3878,13.013979,1.197260568,1.129189311,1.364467467,1.151523087,1.252946625,1.166884882,1.280134227,0.532283941,0.549846801,0.511331756,0.534597227,0.514630083,0.545429851,0.523808288
3664,C6 H12 S2,Methyl 3-methyl-1-butenyl disulfide,148.0376,13.259017,1.01848786,1.242560013,0.596109101,0.974152398,0.902268413,1.279647882,0.746920394,-0.652188888,-0.785010837,-0.493734633,-0.670875983,-0.608032836,-0.869807083,-0.51188242
3665,<none>,<none> Esi+12.92897 :2,471.8208,12.92897,1.898669137,1.975324922,1.964551799,1.969507628,1.980411323,2.027777193,1.959004713,0.964880425,1.017883811,0.901648316,0.990599,0.912862078,1.016173926,0.931809615
3666,C11 H12 N2 S2,Brassinin,236.045,4.684004,0.12349732,0.392651981,0.274173838,0.246389034,0.002228497,0.197612245,0.019899706,-0.079389257,-0.318200038,0.205507815,-0.087387216,-0.066739246,-0.141172368,-0.039555409
3667,C37 H78 N O6 P,PE(O-16:0/O-16:0),685.5327,15.430968,0.686690999,0.681849847,0.510992686,0.530509663,0.696759531,0.563307585,0.623410133,-0.267990316,-0.327815763,-0.196619607,-0.210916109,-0.353569607,-0.220849134,-0.298383972
3668,C38 H78 N O7 P,PE(O-16:0/17:0),713.5271,15.159966,1.786713934,1.979251754,1.580280916,1.889982894,1.800414574,2.067298447,1.735922703,-1.024475025,-1.207811675,-0.805757618,-0.997161104,-1.051039745,-1.024599428,-1.024394818
3669,C9 H12,"1,2,4-Tris(methylene)cyclohexane",137.1202,2.976008,1.088612407,1.027751521,1.105662569,1.208306984,1.034233339,1.110041059,1.030530148,0.204324069,0.208767572,0.199023048,0.219852021,0.195516078,0.251913182,0.173641615
3670,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.527996,314.209,9.527996,0.702427998,0.690215525,0.546210206,0.667602261,0.539698422,0.71916299,0.613006636,0.531125242,0.560468219,0.496119586,0.581388546,0.451224612,0.620931462,0.473223863
3671,C17 H38 N,Cetrimide,255.2919,12.293966,0.490495267,0.580510633,0.227899494,0.504418405,0.352450772,0.419727119,0.468511946,-0.163368378,-0.203793574,-0.115141827,-0.138893745,-0.189990727,-0.137607511,-0.179977358
3672,C29 H48 N3 O8,C29 H48 N3 O8,566.3409,13.164004,1.28194225,1.278112039,0.961989668,1.08315016,1.252114548,1.088286924,1.248293833,-1.004640655,-1.157907812,-0.821795626,-0.85451461,-1.199588455,-1.011728006,-1.000071179
3673,C28 H48 O5,2-Deoxybrassinolide Esi+14.637957,464.3507,14.637957,1.217019977,1.397604854,0.959302151,1.297334704,1.095120496,1.170500528,1.184729563,-0.681991549,-0.816254353,-0.52181838,-0.659028256,-0.732605279,-0.675054912,-0.686463855
3674,C30 H52 O6,Fasciculol C,508.3778,14.219975,0.542936218,0.539868155,0.371291884,0.528920085,0.491964017,0.559842574,0.411940874,-0.374666334,-0.380903538,-0.367225459,-0.313419379,-0.465663514,-0.358078675,-0.385361009
3675,C22 H38 N7 O P,C22 H38 N7 O P,447.2878,8.31201,0.513276162,0.44339242,0.632373222,0.66465317,0.312039484,0.515514212,0.479759547,-0.282666297,-0.193122286,-0.389490732,-0.325560585,-0.236161528,-0.211616427,-0.328474766
3676,C14 H29 N15,C14 H29 N15,407.2728,11.275969,0.857082212,0.874774584,0.727548138,0.850232592,0.779049402,0.996571636,0.768228573,0.649636807,0.754015154,0.525115271,0.693263806,0.561434795,0.790644662,0.558723848
3677,C14 H41 N11 O8,C14 H41 N11 O8,491.3134,8.37802,0.604713386,0.574331275,0.640422234,0.720967572,0.382604285,0.749489147,0.462664565,-0.423900643,-0.343647599,-0.519641116,-0.499728882,-0.328456843,-0.417757196,-0.427861549
3678,C26 H49 N O4,C26 H49 N O4,439.3656,9.558997,0.931290669,0.746189059,1.314434432,0.888644478,1.237413102,0.983700961,1.092827945,0.678842018,0.472409225,0.92511272,0.54614596,0.871106694,0.526111513,0.777313002
3679,C15 H27 Cl N14 O,C15 H27 Cl N14 O,454.2179,8.645997,0.388649806,0.710365935,0.092645718,0.48620686,0.141138288,0.805668721,0.129840078,0.506791531,0.981211246,-0.059182865,0.805284775,0.042829707,1.150208437,0.091956947
3680,C11 H22 N O4,O-butanoyl-carnitine Esi+3.4550035 :1,231.1467,3.4550035,1.082026151,1.120648226,0.903707422,1.087394591,1.0842666,0.971036242,1.074884356,0.551046131,0.635622595,0.450147893,0.508796833,0.631772158,0.478032531,0.598120689
3681,C24 H26 O8,Mallotochromene,442.1641,8.456022,0.974884629,0.930040685,0.88304415,0.998327544,0.837025953,1.175373299,0.731995242,1.14456382,1.12730029,1.165158908,1.162718291,1.08863731,1.366440679,1.001511634
3682,C11 H18 N2 O4,N-Hydroxypentobarbital,242.1236,4.575006,0.662656685,0.77933665,0.554781347,0.508587287,0.865609252,0.414099431,0.869403615,0.483669319,0.629282207,0.309955699,0.429088024,0.537205192,0.379986882,0.550517206
3683,C20 H38 N19 P,C20 H38 N19 P,574.3862,13.547046,0.09658295,0.043451086,0.176878419,0.253973893,0.162324046,0.119265968,0.108117057,0.046714652,0.081677099,0.005005067,-0.041719218,0.151513298,-0.047452436,0.107427643
3684,C37 H58 N3 O11,C37 H58 N3 O11 Esi+13.517028,720.4058,13.517028,0.144818409,0.293579265,0.172556642,0.096245818,0.157169133,0.058559971,0.212986713,-0.061795026,-0.259617364,0.174203553,0.022799641,-0.194126809,0.043545691,-0.129712067
3685,C14 H28 N2 O2,C14 H28 N2 O2,256.2186,8.72802,0.632638478,0.6503832,0.676829113,0.431576832,0.784740022,0.678202519,0.584144203,-0.465319077,-0.442227074,-0.492867431,-0.452534296,-0.483651581,-0.579509379,-0.391696382
3686,C10 H20 N2 O4,"Ethylenediamine-N,N'-di-a-butyric acid",249.1704,6.9200144,0.486802162,0.612352087,0.144609931,0.267472836,0.799927709,0.196654398,0.590265237,0.333480539,0.480639817,0.157922102,0.16635942,0.568109599,0.190169154,0.425878669
3687,C18 O20 S,C18 O20 S Esi+10.550026,567.8698,10.550026,0.451959957,0.538630396,0.332185398,0.281178226,0.495956204,0.496860639,0.449324507,0.254083437,0.351680857,0.137651427,0.250812881,0.230091578,0.343676783,0.196319306
3688,C33 H39 O19,Malvidin 3-glucoside-5-(6''-malonylglucoside),738.1947,16.270998,0.679668329,0.746360215,0.53570025,0.514694647,0.838678741,0.647827004,0.691222848,0.713134445,0.793979955,0.61668717,0.582994506,0.884919801,0.685250234,0.731112423
3689,C13 H2 N O17 P S2,C13 H2 N O17 P S2 Esi+10.094977,538.8489,10.094977,0.852929323,0.97085127,0.623257596,0.681853316,0.861517092,0.887034466,0.767594109,0.384966159,0.478114785,0.273841484,0.365257059,0.404627232,0.465159513,0.33326255
3690,C33 H44 O3,"7',8'-Dihydro-8'-hydroxycitraniaxanthin Esi+12.840021",488.3318,12.840021,0.983677923,0.976389389,1.104594383,0.994598766,1.079156893,0.863079004,1.041267916,-0.512613129,-0.489506914,-0.540178439,-0.387388125,-0.700783119,-0.343642875,-0.621554478
3691,C22 H20 N10 O21 P,C22 H20 N10 O21 P Esi+13.837961,791.0532,13.837961,0.32729363,0.431777313,0.010957638,0.371885385,0.109988272,0.20528241,0.241401824,-0.137961504,-0.215395317,-0.045584323,-0.124418285,-0.17081841,-0.087744286,-0.170338394
3692,C12 H18 N2 O4,Aldosine,254.1237,5.187991,1.070782161,1.188637846,0.682291987,0.695732016,1.288823702,0.922595223,1.05920755,1.45264765,1.630517069,1.240452553,1.283665452,1.668702742,1.483384055,1.432830756
3693,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+8.818978",256.1303,8.818978,0.214654164,0.072908484,0.345418191,0.050260544,0.280258435,0.366812767,0.053532918,0.190359299,0.158691445,0.228138493,0.130422935,0.216889827,0.354535663,0.084508749
3694,<none>,<none> Esi+13.674016 :1,835.0796,13.674016,0.169264193,0.255094843,0.113348688,0.198345584,0.087111969,0.005308956,0.123892894,-0.009623196,-0.062906583,0.05394295,-0.000700797,-0.039534615,0.056843473,-0.052476706
3695,C26 H40 N5,Agelasine Esi+12.322999,439.3505,12.322999,0.67874095,0.659484655,0.629513668,0.568035448,0.706864921,0.624558265,0.698754317,-0.374057573,-0.34954598,-0.403299474,-0.310429483,-0.484323961,-0.287708729,-0.429729854
3696,<none>,<none> Esi+14.299018,776.0477,14.299018,0.569159843,0.809676991,0.158524834,0.628377338,0.374915557,0.364116496,0.600995394,-0.302252614,-0.445851185,-0.130942038,-0.375735234,-0.212972505,-0.149226798,-0.400913995
3697,C14 H28 N6 O4 S,Ala Arg Met,398.1721,10.761993,2.30176822,2.173196676,2.596821071,2.247934841,2.530559552,2.299616873,2.391562561,3.646487209,3.213487438,4.16304834,3.448336491,3.938475489,3.462302927,3.765237601
3698,C17 H31 N O4,C17 H31 N O4 Esi+8.13401,313.2249,8.13401,0.04013103,0.080423106,0.165696372,0.020494959,0.225422821,0.528219433,0.419813577,0.042046781,-0.022511042,0.11906313,0.045021663,0.128264901,-0.306213023,0.266582707
3699,C23 H51 Cl N13 O,C23 H51 Cl N13 O,560.4135,14.830024,1.135929041,1.264955711,0.811503327,1.11421281,1.077892448,1.139859123,1.050658764,-0.814784633,-1.075246571,-0.504058112,-0.776745133,-0.86966896,-0.818988671,-0.812074136
3700,C23 H40 O5,10-F2-dihomo-IsoP Esi+12.69197,396.2908,12.69197,0.15014659,0.293219558,0.155122898,0.259810847,0.07414653,0.236951393,0.000461729,-0.063225099,-0.138139209,0.02614612,-0.077368946,-0.055995152,-0.097138879,-0.041359635
3701,C23 H38 O6,Sterol 3-beta-D-glucoside,410.2634,12.1310215,2.351169355,2.157600372,2.516057975,2.210041556,2.505675901,2.135119149,2.473467696,3.181683768,2.941173601,3.468608179,3.031070844,3.368000216,2.938531213,3.338453179
3702,C16 H N2 O10 P S3,C16 H N2 O10 P S3,507.8497,13.760988,1.99347619,2.092287517,2.035126784,2.051220684,2.102365597,2.206954823,1.993425539,1.151836647,1.219930521,1.07060185,1.182785957,1.091667181,1.24695536,1.090510108
3703,C23 H47 N8 P,C23 H47 N8 P,464.3819,15.235042,0.941062821,1.024468485,0.678728628,0.872788657,0.885380724,0.94999794,0.804476288,-0.482836653,-0.615878123,-0.324120513,-0.424551602,-0.560853215,-0.538988748,-0.446633328
3704,C37 H63 N5 O7,Microcolin C Esi+12.138983 :1,689.4739,12.138983,0.46719581,0.326275106,0.645608211,0.43783933,0.440493249,0.525621012,0.461889078,0.298693823,0.263299511,0.340918615,0.31295889,0.25641889,0.369111751,0.25329279
3705,C27 H55 N8 O P,C27 H55 N8 O P,538.4236,15.211982,1.406512585,1.575541638,1.112990036,1.392901361,1.326219158,1.470429276,1.315393267,-1.093162972,-1.303451332,-0.842292648,-1.092333202,-1.067777336,-1.191359946,-1.029851765
3706,C25 H32 O7,"17,18-dehydro-clavulone I",466.197,12.934018,1.625079106,1.308591239,1.866895491,1.481325243,1.715185817,1.495121059,1.653854247,1.440922774,1.232298015,1.689808453,1.3240585,1.615199015,1.303877123,1.529281155
3707,C20 H32 O5,?-12-PGD2 Esi+11.469977,352.2221,11.469977,0.703039651,0.678632008,0.606950601,0.568666359,0.81654328,0.435887634,0.749780132,-0.499732218,-0.556607358,-0.431881173,-0.354135556,-0.709665468,-0.340641305,-0.602303991
3708,C19 H37 N O4,N-palmitoyl serine,343.2715,9.92001,0.090209358,0.176180991,0.058478538,0.09820841,0.045176099,0.133212542,0.042290682,-0.089456839,-0.146459002,-0.021454258,-0.090347737,-0.068632958,-0.141694359,-0.055777384
3709,C44 H83 O8 P,"PA(22:2(13Z,16Z)/19:0) Esi+13.06398",769.5796,13.06398,0.210169277,0.124196312,0.715103606,0.189275642,0.269205633,0.142464903,0.288024468,0.298252458,0.077907877,0.561119678,0.354039511,0.223813829,0.294105796,0.300925964
3710,<none>,<none> Esi+11.451993,771.0193,11.451993,0.370123706,0.174737574,0.66691897,0.354551093,0.544956023,0.390705186,0.381959759,0.306091186,0.196187788,0.437204012,0.29872619,0.284270718,0.320988669,0.29648623
3711,C7 H13 O6 P,Cedrol Esi+5.144002,224.0447,5.144002,0.751136774,0.446390571,1.153271013,0.424069164,1.04056726,0.51191739,0.85568467,0.536163774,0.360751009,0.745428125,0.43066092,0.668072652,0.420175868,0.61094545
3712,C16 H24 O7,PGDM Esi+6.3809896,328.1494,6.3809896,0.428607537,0.399994244,0.432100708,0.444622831,0.405796166,0.590308355,0.343625903,0.156891953,0.11989673,0.201026605,0.157957624,0.175907831,0.187858042,0.136926974
3713,C20 H48 N22,C20 H48 N22,596.4405,16.26604,0.815281514,0.916849814,0.617821167,0.847500613,0.811087586,0.900842381,0.717206402,-0.997371351,-1.141757762,-0.825120895,-1.031256496,-0.969823565,-1.124751346,-0.915244774
3714,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside Esi+8.885988,603.4138,8.885988,0.435751221,0.330595391,0.558438004,0.498886841,0.308566669,0.323603955,0.417400532,-0.285817183,-0.195534119,-0.393523293,-0.290861809,-0.305129355,-0.177636897,-0.355564999
3715,C10 H20 O3,Hexyl (R)-3-hydroxybutyrate Esi+5.8859897,210.125,5.8859897,0.198031281,0.032934117,0.642078202,0.270505546,0.329082583,0.438239546,0.154321057,-0.026878037,-0.162323729,0.134706298,-0.111646778,0.085525536,0.060523249,-0.083228865
3716,C32 H48 O3,"(22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferol",480.3553,13.582016,0.030929361,0.117408623,0.315106853,0.178401106,0.027176623,0.024349069,0.079506318,0.022819057,-0.067421546,0.130474513,0.055302088,-0.021770433,0.04394874,0.009195972
3717,C20 N2 O22,C20 N2 O22,619.894,9.6,0.458914985,0.669907078,0.101651387,0.448614905,0.409702827,0.723818928,0.256010476,0.190938153,0.34154163,0.011270848,0.206507781,0.147211894,0.354044682,0.085777365
3718,C19 H38 N6 O5,C19 H38 N6 O5,430.2905,11.305991,0.495243422,0.615114464,0.359029939,0.666731943,0.24822565,0.67636987,0.406583188,0.278059447,0.369065523,0.169490796,0.371210668,0.116901932,0.387905725,0.207237505
3719,C24 H45 N O5,C24 H45 N O5,427.3289,9.535994,1.461402649,1.605016585,1.230605178,1.491100336,1.438082924,1.59388452,1.430547273,-1.045696719,-1.167854696,-0.899964396,-1.093992124,-0.99742671,-1.009899104,-1.068776761
3720,C35 H60 O6,Schottenol 3-glucoside,598.4197,15.184028,0.449564739,0.596231142,0.171864529,0.4439924,0.32575805,0.333093213,0.39315633,-0.263794653,-0.416435232,-0.08169712,-0.230659193,-0.300447671,-0.208332534,-0.299553125
3721,C7 H13 N O,1-(1-Pyrrolidinyl)-2-propanone Esi+1.0890008,127.0993,1.0890008,0.467433668,0.437186276,0.461624607,0.322370473,0.593582885,0.469874725,0.420143917,0.424459766,0.450777054,0.393063704,0.469128798,0.405698916,0.530490985,0.356097533
3722,C27 H42 N O2,Benzethonium Esi+10.436017,394.2927,10.436017,0.176766533,0.102623149,0.222998888,0.194723215,0.264783365,0.059031871,0.218743573,-0.120564475,-0.023273444,-0.236630967,-0.03914208,-0.267980015,0.026458993,-0.215355921
3723,C23 H36 O7,3'?-Isopravastatin Esi+10.947017,424.2439,10.947017,0.276184104,0.222664928,0.334434854,0.12194484,0.341677179,0.366583928,0.250048246,0.342683212,0.332364869,0.354992813,0.341935828,0.320441957,0.455391906,0.270015764
3724,C13 H26 N6 O4,Gly Val Arg Esi+11.142991,330.2047,11.142991,0.881914411,0.623421069,1.024256769,0.750736825,0.839917083,0.667761871,0.941725421,0.991895164,0.810757008,1.207989806,0.943529075,1.049819321,0.895269171,1.054193501
3725,C27 H44 N6 O9,C27 H44 N6 O9,596.3196,12.087976,0.66186551,0.366764909,1.083463784,0.547590503,0.767147321,0.596485189,0.712128491,0.719909401,0.437704767,1.056574579,0.690823698,0.778564744,0.766789926,0.6896838
3726,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane",172.1098,4.7659936,0.021925436,0.187360314,0.219620331,0.147383744,0.082411739,0.038581052,0.032411545,-0.038506229,-0.185784091,0.137193676,-0.079079038,0.015258432,-0.007967242,-0.05819584
3727,C28 H49 N O8,Dihydropicromycin Esi+14.334976,527.3467,14.334976,0.383364754,0.626233357,0.001423712,0.332407623,0.34348044,0.317025231,0.348097909,-0.220837095,-0.429060776,0.027570103,-0.185265722,-0.255293443,-0.22330994,-0.219242761
3728,<none>,<none> Esi+5.1229897 :1,602.7836,5.1229897,2.396263866,2.387964625,2.276996659,2.423626879,2.378900011,2.294346017,2.410490684,3.510229042,3.602232841,3.400470124,3.397896862,3.655863048,3.501259495,3.51601204
3729,C40 H66 O12,"(3b,22a)-12-Oleanene-3,22,24,29-tetrol 3-[arabinosyl-(1-3)-arabinoside]",738.4528,13.957017,0.95000365,0.735703331,1.324577529,0.990701021,0.965245277,0.939662134,1.017727749,0.890013688,0.704367755,1.111486029,0.902125261,0.866076923,0.807759283,0.943046134
3730,C38 H48 N4 O2,Santiaguine Esi+10.156005,592.3783,10.156005,0.732026793,0.763516466,0.586674045,0.794389207,0.482129235,0.862321724,0.568389896,0.628271207,0.723773266,0.514338925,0.746785031,0.427466003,0.839435259,0.492125962
3731,C35 H64 O7 S,2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+10.770015 :1,650.4209,10.770015,1.060467845,1.127123889,0.979480125,1.101428525,0.88962902,1.177638121,0.994854665,0.560490036,0.634881874,0.471741878,0.610369854,0.457987432,0.672582881,0.488219649
3732,C26 H44 O10 P,C26 H44 O10 P,547.268,12.000981,0.496857867,0.3210769,0.778683513,0.604683582,0.440492962,0.495944968,0.563761128,0.328210847,0.267602611,0.400515409,0.390118065,0.243893693,0.339336743,0.321037572
3733,C14 H24 N12,C14 H24 N12,360.2239,6.9549856,0.092922084,0.051948206,0.337016275,0.237716076,0.024610983,0.050135795,0.131996331,-0.077108845,0.038516517,-0.215047874,-0.087721076,-0.076356273,0.016107734,-0.137209008
3734,C39 H78 Cl2 N9 P,C39 H78 Cl2 N9 P,773.5478,14.229984,0.76803428,0.815589918,0.581538919,0.618357232,0.788373536,0.680995205,0.652421869,-0.300877374,-0.335129335,-0.260015386,-0.252209384,-0.382661102,-0.266712304,-0.322904854
3735,C16 H29 N O5,Butoctamide hydrogen succinate Esi+5.9709873,315.2042,5.9709873,0.64566923,0.843090555,0.296011486,0.899735342,0.30589535,0.974596964,0.489381747,-0.416369524,-0.626301653,-0.165924176,-0.52352029,-0.266829663,-0.529517277,-0.343418999
3736,C35 H10 N3 O14 P,C35 H10 N3 O14 P,726.9907,14.079034,1.610748445,1.66778723,1.661505139,1.679385503,1.73812153,1.669922435,1.659939625,0.89430235,0.924887136,0.857815237,0.919080385,0.890846785,0.926056945,0.873828993
3737,C24 H28 O7,3-Isomangostin hydrate Esi+9.883031,428.1839,9.883031,0.59277395,0.623259657,0.382514887,0.553569998,0.54535209,0.749700492,0.383237046,-0.136178282,-0.164264876,-0.102671467,-0.139979429,-0.144887655,-0.210467115,-0.088281534
3738,C17 H36 N O5 P,C17 Sphingosine-1-phosphate,365.2309,4.781005,0.636070556,0.688958129,0.515616027,0.771463512,0.484492415,0.796161424,0.508990349,0.739810081,0.921562604,0.522982509,0.858175331,0.539550753,0.943600387,0.608418962
3739,C16 Cl O14 S5,C16 Cl O14 S5,610.7589,13.784971,0.256357674,0.207218524,0.420467982,0.239050697,0.338591687,0.415240504,0.231358511,0.157906691,0.144213363,0.174242591,0.16092706,0.134969081,0.211383302,0.12342835
3740,C37 H73 N O8 P,PC(18:0/11:1(10E)) Esi+10.718995,689.4921,10.718995,0.088746872,0.10549987,0.031282419,0.120492358,0.008470653,0.061738136,0.079729989,-0.01589789,-0.015168177,-0.016768425,0.019496896,-0.094797157,0.086947409,-0.082206043
3741,C20 H45 N5 O2,C20 H45 N5 O2,387.3562,13.122012,0.277488741,0.110426979,0.424151239,0.236982478,0.2838886,0.230711504,0.291336535,-0.240884768,-0.155659256,-0.342557308,-0.239512284,-0.221183712,-0.283524833,-0.213393147
3742,C50 H83 O4 P,Decaprenyl phosphate,795.6277,16.620056,1.27204998,1.389241464,1.147355836,1.244144526,1.286863403,1.46549755,1.167166584,-0.70931775,-0.877189858,-0.509049269,-0.666205643,-0.767887546,-0.809057669,-0.645011749
3743,C23 H47 N8 P,C23 H47 N8 P Esi+15.075979,464.3596,15.075979,1.092759715,1.17898114,0.863437927,1.022662681,1.054154694,1.05460723,1.014350396,-0.588103822,-0.71372954,-0.438234544,-0.513866239,-0.70720803,-0.591866068,-0.585678163
3744,C19 H40 O5,C19 H40 O5,348.2887,13.522966,0.08500096,0.434489247,0.285935882,0.134347997,0.079282824,0.484918772,0.216506349,0.031385945,-0.128686221,0.22234923,0.032211124,0.053454815,-0.138956496,0.141211992
3745,C36 H71 N O8 P,PC(16:1(9Z)/12:0) Esi+10.09099,675.4752,10.09099,0.340011166,0.409400212,0.24327053,0.456793701,0.207432475,0.615434465,0.152021369,0.222238644,0.325730755,0.098774371,0.26906348,0.146629463,0.384248926,0.117784646
3746,C14 H30 O3,"8,8-Diethoxy-2,6-dimethyl-2-octanol",246.2192,12.835996,0.756133126,0.949267853,0.428313197,0.932636204,0.440361511,0.975462224,0.569581878,-0.419255652,-0.566135823,-0.244030184,-0.501120708,-0.260102064,-0.562542712,-0.326873205
3747,C31 H44 O7,Milbemectin Esi+14.604003,550.2924,14.604003,0.331406959,0.101384889,0.567018337,0.292890693,0.377281207,0.28821825,0.329482431,0.417297417,0.182790968,0.697059496,0.371794731,0.484370603,0.295680214,0.495708508
3748,C51 H87 O12 P,"PI(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",922.5992,15.461972,0.63500759,0.627681281,0.552087602,0.628546708,0.587026713,0.769996505,0.534588909,0.641024769,0.665336147,0.612021722,0.700381553,0.558725641,0.819531798,0.525934711
3749,C13 H20 N4 O,C13 H20 N4 O,248.1619,7.548984,1.307855974,1.278327814,1.060783624,1.22637766,1.219509312,0.979051562,1.284045739,-1.012039936,-1.089093444,-0.920116453,-0.953682568,-1.056609889,-0.807629384,-1.14383095
3750,C37 H60 O12,Glucosyl passiflorate,696.4063,13.628979,1.318339012,1.08790385,1.657187876,1.335191504,1.3431066,1.262157898,1.409911552,1.255101379,1.076539822,1.468122184,1.246125993,1.254196881,1.147487778,1.324483832
3751,C21 H37 N O4,C21 H37 N O4,367.2716,10.29397,0.65384475,0.697986533,0.648383421,0.671777086,0.686476484,0.747383294,0.66951968,0.564984312,0.664420807,0.446358319,0.594887932,0.513551673,0.636198585,0.519069847
3752,C14 H24 O2,13-Tetradecynoic acid Esi+15.037039,224.1773,15.037039,0.124059702,0.072653505,0.306277356,0.303676263,0.024322509,0.024493541,0.271899937,0.332745287,0.27840045,0.397577723,0.484525416,0.136560632,0.285008232,0.363523125
3753,C42 H73 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/17:1(9Z))",758.4932,11.947017,1.651133157,1.694787073,1.645751939,1.785408941,1.498399949,1.75971672,1.599298303,0.844278333,0.900002495,0.777800386,0.930759212,0.700726656,0.949139009,0.776670792
3754,C31 H5 Cl O8 P S,C31 H5 Cl O8 P S,602.9124,10.826993,0.024237872,0.049539468,0.13857997,0.023444196,0.093682485,0.065632715,0.034592097,0.061184501,0.027666458,0.101170938,0.055128405,0.03746473,0.096016544,0.038727
3755,C34 H54 O8,"(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside",590.3803,16.156986,0.439681363,0.448822597,0.376041086,0.496318211,0.296431616,0.654386636,0.312364518,0.432026792,0.461492297,0.396874961,0.53713725,0.280090324,0.654613332,0.288517049
3756,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.5410085",298.1417,6.5410085,2.285589837,2.148076627,2.378257343,2.175811437,2.412340076,2.121874488,2.383844221,2.526221764,2.406184283,2.669424374,2.41773079,2.655774946,2.42979905,2.58838904
3757,C19 H18 N8 O20 P S,C19 H18 N8 O20 P S,741.0094,12.444016,0.187701664,0.211230314,0.288559381,0.000592145,0.418794875,0.326273741,0.181459826,0.158358469,0.174571685,0.139016388,0.132349659,0.172167076,0.244471888,0.102837976
3758,C40 H58 O5,"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol",618.4309,14.415024,0.819674444,0.665617987,1.068622066,0.905145145,0.731462803,0.911058914,0.807753195,0.692228682,0.622135236,0.775848933,0.724092727,0.627943815,0.756809712,0.650590912
3759,C41 H66 O13,Soyasaponin IV Esi+13.752988,766.4473,13.752988,0.309223807,0.500911326,0.014518239,0.195213805,0.363538328,0.220994436,0.30293673,-0.349563633,-0.621000114,-0.025744672,-0.245804888,-0.484826907,-0.359602958,-0.343090909
3760,C24 H46 O4,Axillarenic acid Esi+12.714033,415.3655,12.714033,0.784027071,0.78253327,0.649623256,0.655432164,0.864091925,0.621650328,0.826953898,-0.768972951,-0.931549005,-0.57502257,-0.763614919,-0.807554249,-0.786989447,-0.757357052
3761,C19 N2 O10 S,C19 N2 O10 S Esi+5.0120087,447.9272,5.0120087,1.469378411,1.665288405,1.312763008,1.480063999,1.718070215,1.472294011,1.625528139,-1.913972464,-2.073686083,-1.723436918,-1.74920854,-2.108241005,-1.642528878,-2.088982144
3762,C18 H48 N9 O4 P,C18 H48 N9 O4 P Esi+9.571023,485.3541,9.571023,0.406356396,0.249032506,0.421832436,0.232056845,0.337073788,0.026837371,0.452439442,-0.280441914,-0.185057077,-0.39423435,-0.238677077,-0.350281191,-0.068793472,-0.416899462
3763,C17 H36 O3,C17 H36 O3,288.2661,14.501969,0.741730724,0.907576075,0.363712925,0.810032159,0.517988885,0.851182261,0.572419034,-0.481919099,-0.583671751,-0.360529971,-0.547294897,-0.391169648,-0.57178675,-0.423978114
3764,C9 H10,alpha-Methylstyrene,118.0782,11.022971,1.354638445,1.530797695,1.02193748,1.46910223,1.321160355,1.484725651,1.244677981,-0.495631147,-0.607041131,-0.36272099,-0.479733675,-0.526159318,-0.52122725,-0.479128396
3765,C9 H14 N6 O4,C9 H14 N6 O4,270.1165,5.3549895,0.871087413,0.73742896,1.134717682,0.786494385,0.949824112,0.750663795,0.936521404,0.383024101,0.326462385,0.450501235,0.376398052,0.379911404,0.414145163,0.362959205
3766,C16 H28 N4 O4,Pro Pro Lys Esi+4.9749875,340.2095,4.9749875,0.026874825,0.064507086,0.188538122,0.211461707,0.362522252,0.222114303,0.26022436,-0.073850302,0.005028853,-0.16795175,0.048459041,-0.22675709,0.092118926,-0.180856778
3767,C12 H22 S2,Dicyclohexyl disulfide Esi+5.324995,230.1152,5.324995,0.318961188,0.090856233,0.641684814,0.132486113,0.381138046,0.059925375,0.460808883,0.237510557,0.038916802,0.474429422,0.175841812,0.298407484,0.058899917,0.352667416
3768,C37 H64 O14,Kurilensoside J Esi+12.972001,754.4117,12.972001,2.042686043,1.950018003,2.150952168,1.989966442,2.190621806,1.933840307,2.158826882,3.171991455,2.933523292,3.45647979,2.911321453,3.49545563,2.789971412,3.418293851
3769,C33 H58 O10,Antibiotic X 14889C Esi+11.247002,631.4316,11.247002,0.01924433,0.171051714,0.166020607,0.20395994,0.101094635,0.040258514,0.049154511,0.074952201,0.030199041,0.128341936,0.08309825,0.039080544,0.173310281,0.011537123
3770,C11 H18 N6 O,C11 H18 N6 O,250.1512,9.162998,0.425428115,0.539971762,0.04954181,0.270271662,0.361981003,0.682106772,0.164330079,-0.346287179,-0.430095091,-0.246305811,-0.352700091,-0.33640313,-0.571135494,-0.201319187
3771,C16 H9 N5 O21 P,C16 H9 N5 O21 P Esi+13.221981,637.9517,13.221981,0.607006971,0.734000339,0.280631533,0.774705675,0.322124017,0.625902803,0.456612461,-0.216899091,-0.278959575,-0.142862022,-0.216312712,-0.228098952,-0.193173748,-0.232195694
3772,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+6.218995",226.1206,6.218995,0.550079358,0.366045111,0.76505001,0.465135486,0.586055162,0.622531184,0.469997858,0.331109334,0.229616035,0.452189058,0.345984273,0.304677108,0.420853383,0.273248039
3773,C26 H42 N3 O7,C26 H42 N3 O7,508.3022,13.639983,1.215007802,1.132965456,1.348921501,1.076884983,1.37878677,1.198253835,1.266751783,-1.699573733,-1.561946297,-1.863760849,-1.369877912,-2.185384149,-1.783845737,-1.645240466
3774,C23 H3 N2 O18 P,C23 H3 N2 O18 P Esi+12.310038,625.9124,12.310038,1.347601275,1.390893604,1.229344091,1.368385379,1.205123909,1.372791297,1.287397167,0.815059646,0.872833809,0.746136084,0.874297623,0.71109622,0.900859264,0.759741472
3775,C25 H45 N O8,C25 H45 N O8,487.3168,13.914007,0.209856392,0.074560231,0.583316079,0.136619242,0.377702584,0.07043031,0.351468898,0.20142522,-0.016021729,0.460835615,0.1405285,0.301170745,0.062627206,0.290913413
3776,C15 H26 O6,Tributyrin Esi+10.329988,324.1544,10.329988,0.085035123,0.01328153,0.191258708,0.064146346,0.095040324,0.079791347,0.079346283,0.189521788,0.119051423,0.273591697,0.277112439,0.079279504,0.201283668,0.181938471
3777,C38 H60 O13,Alliospiroside C Esi+13.059018,724.4012,13.059018,0.744789472,0.58518899,1.064126971,0.854267711,0.679230912,0.846269443,0.719939061,0.802793394,0.635136387,1.002805263,0.908155883,0.630073457,0.832435615,0.783681962
3778,C26 H42 N6 O7,C26 H42 N6 O7,550.3119,12.322999,1.596163448,1.753763022,1.191805678,1.829530857,1.216077316,1.64207346,1.445659082,-2.138598682,-2.338970133,-1.899559055,-2.345605899,-1.849142704,-2.330346349,-2.014971896
3779,<none>,<none> Esi+13.085996,539.6941,13.085996,1.888610227,1.89095729,1.964290189,1.877430394,2.018627812,1.931320877,1.950943173,1.034126835,1.066727732,0.995234536,1.034271313,1.018141447,1.048760828,1.02469176
3780,C18 H45 Cl N18 O,C18 H45 Cl N18 O,564.3761,12.634016,0.129424936,0.244008556,0.497566562,0.340643297,0.038136432,0.187344089,0.0660781,-0.016818119,0.576561511,-0.724709607,-0.162725261,0.137210589,0.072697133,-0.074531899
3781,C36 H58 O10,Lucyoside N,650.4011,14.767034,0.036553187,0.170882414,0.23889172,0.075352892,0.087364572,0.151499505,0.082177623,0.051712446,-0.069824391,0.19670376,0.064848736,-0.000643878,0.174090286,-0.027189056
3782,C13 H26 N O4,(?)-Hexanoylcarnitine Esi+5.620983 :1,259.1785,5.620983,0.735636452,0.806583152,0.525014756,0.647074075,0.910161007,0.654038985,0.760171554,0.504534523,0.622055546,0.364334004,0.45438059,0.577270409,0.473496096,0.52454614
3783,C11 H18 O6,C11 H18 O6,246.1129,7.348016,0.413677049,0.461913016,0.129074754,0.333303176,0.399700482,0.164859172,0.434747966,-0.217841982,-0.273227753,-0.151767728,-0.142113179,-0.314094136,-0.115264916,-0.283977195
3784,C45 H68 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]",687.4946,14.677001,2.390201182,2.560526062,2.362576136,2.565739685,2.455003758,2.629396638,2.431429664,-1.905239511,-2.085725835,-1.689922493,-1.872440647,-1.956160634,-1.812719524,-1.964890555
3785,C30 H56 N O11,C30 H56 N O11,606.3852,15.228024,1.687577215,1.701011832,1.859948766,1.982271652,1.59934406,2.060461573,1.590835857,1.159917838,1.16627775,1.152330576,1.20941997,1.078690507,1.237977181,1.109590104
3786,C45 H58 Cl2 N12 O3 P S,C45 H58 Cl2 N12 O3 P S,947.3589,8.18799,0.201972275,0.167297941,0.547038145,0.351546345,0.218801163,0.167318643,0.296325031,-0.063788793,-0.080055233,-0.044383216,-0.147342002,0.046465532,-0.093834663,-0.044417114
3787,C26 H29 N O2,trans-4-Hydroxytamoxifen,387.2227,9.43701,1.029093232,1.212091011,1.160463987,1.206482704,1.1535271,1.177949146,1.137993311,-1.339187468,-1.529964505,-1.11159381,-1.433406639,-1.197563653,-1.478294646,-1.249499946
3788,C9 H20 O4,C9 H20 O4 Esi+4.8719983,192.1357,4.8719983,0.481320351,0.461830071,0.423999004,0.495423769,0.350116591,0.803777001,0.225055104,-0.409649387,-0.491144918,-0.312426649,-0.451407838,-0.363541408,-0.71711648,-0.211414024
3789,C27 H34 O4,"2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate",444.2278,10.027006,1.14363018,0.880394042,1.405653153,0.827500438,1.542351532,0.665076443,1.484077057,0.58512969,0.449357712,0.747103278,0.42497474,0.810231304,0.352860826,0.734881984
3790,<none>,<none> Esi+11.800028,435.7921,11.800028,1.683136355,1.669834182,1.671593248,1.672996491,1.59988069,1.718799047,1.671959233,0.845671638,0.900942041,0.779735016,0.883918866,0.767848866,0.916516617,0.799995269
3791,C25 H34 F2 O5,Tafluprost Esi+12.017018,452.238,12.017018,1.882010236,1.755362851,1.924748642,1.827991069,1.872683207,1.699635403,1.953535343,1.820580357,1.724879007,1.934750388,1.831107971,1.796603407,1.791845345,1.839106878
3792,C5 H10 N6 O2,Dinitrosopentamethylenetetramine,186.0868,3.3270085,0.507606142,0.705045137,0.283636246,0.625441461,0.291969243,0.675392452,0.381826359,0.226654042,0.333876783,0.098739193,0.310171142,0.10524979,0.397440881,0.116541474
3793,C16 H22 O4,Diisobutyl phthalate,278.1513,13.334976,1.484024538,1.623937766,1.533554402,1.303620266,1.715029884,1.528513591,1.599793212,-0.675026782,-0.699631162,-0.645674189,-0.604512607,-0.743250635,-0.703174326,-0.656879024
3794,C6 H8 O2,"5,5-Dimethyl-2(5H)-furanone",112.0525,7.2010155,0.765060081,1.030349536,0.323806089,0.921276025,0.49584868,0.941095362,0.56608339,-0.995450756,-1.435226396,-0.470806131,-1.161187513,-0.725380285,-1.129140055,-0.909256339
3795,C26 H42 O,Asterosterol,370.3187,10.892015,1.336954495,1.327562902,1.171743661,1.313187704,1.265175084,1.275105589,1.244516273,-0.587015627,-0.60506926,-0.56547796,-0.53655063,-0.662256978,-0.57013209,-0.597901065
3796,C15 H23 N3 O4,Pro Pro Pro,308.159,8.713004,0.371526826,0.198230617,0.636606984,0.235834664,0.520368235,0.432742222,0.381835092,0.268984567,0.164607038,0.393505127,0.215168389,0.341639724,0.28174346,0.260758439
3797,C41 H62 N10 O8,C41 H62 N10 O8,822.4749,13.813979,0.015159889,0.172494809,0.28192991,0.045575145,0.111048749,0.025623813,0.067859959,0.091341741,-0.073806918,0.288361194,0.093685263,0.071804281,0.065280127,0.108144624
3798,C39 H67 O8 P,"PA(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",693.45,6.878017,0.072904614,0.217269059,0.209811848,0.015252906,0.015823404,0.302894973,0.130490791,-0.015198847,0.100909433,-0.153713988,-0.000747368,-0.055137226,0.146664591,-0.119558169
3799,C18 H39 N O6 P,PC(O-10:1(9E)/0:0),413.2806,7.7910094,0.90180318,0.934715722,0.871838338,1.019610579,0.691833726,0.853370867,0.901928379,-0.554659973,-0.508835707,-0.609327519,-0.627903234,-0.474983732,-0.488075712,-0.5975893
3800,C30 H61 N O8 P,PC(9:0/13:0)[U] Esi+11.012965,594.4123,11.012965,0.88173424,0.729991615,0.998079324,0.895293375,0.681273276,0.609877891,0.95535367,-0.521957621,-0.404907551,-0.6615963,-0.481747049,-0.6125698,-0.322892199,-0.650302432
3801,C15 H8 Cl8 O2,Butter acids,516.8364,10.111004,0.800094159,0.913761318,0.600850474,0.685845184,0.818070479,0.809794105,0.782316334,0.378575668,0.464727498,0.275798046,0.354349647,0.399947628,0.426753586,0.347513589
3802,C5 H9 N3 O4,Guanidinosuccinic Acid,175.0581,1.4450046,0.195611508,0.558297865,0.333614281,0.513084559,0.270284153,0.643385897,0.121418309,0.105438061,0.268979928,-0.089664517,0.240842274,-0.084187062,0.295418997,-0.017049648
3803,C38 H69 N O8 P,"PC(12:0/18:4(6Z,9Z,12Z,15Z)) Esi+10.373024",697.4703,10.373024,0.924598049,0.914135381,0.895874966,1.131094203,0.640488321,0.82484556,0.895221394,-0.472729686,-0.458057732,-0.49023307,-0.465554702,-0.499567547,-0.347561952,-0.553429936
3804,C33 H58 O11,Kurilensoside F Esi+13.8830385,652.3806,13.8830385,0.817267138,0.622956358,1.018128409,0.87929832,0.706857522,0.868508417,0.757341595,0.818414928,0.74605123,0.90474355,0.866399449,0.754086385,0.898272824,0.766927601
3805,C32 H56 O5,C32 H56 O5 Esi+16.162048,520.4133,16.162048,1.070513961,1.206130147,0.746237897,1.087505724,0.940173684,0.900587016,1.099842194,-0.77481902,-1.022500816,-0.479338982,-0.752738369,-0.8118769,-0.638635989,-0.862621237
3806,C47 H72 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.6500025",826.5252,9.6500025,0.49238339,0.627697291,0.252345355,0.485340291,0.286427974,0.710481862,0.311347731,0.255074159,0.368593141,0.119648004,0.330414474,0.129922185,0.437246567,0.137620895
3807,C15 H22 O4,Isoleptospermone,266.1498,8.885988,0.326146587,0.247831751,0.415201505,0.179330264,0.538857358,0.17077613,0.56790474,-0.179055677,-0.109259891,-0.262320827,-0.040098999,-0.396637622,0.135180413,-0.381655262
3808,C19 H25 N O2,Ethylketocyclazocine,299.1915,9.199977,0.079338566,0.01291216,0.215573368,0.013034645,0.207673545,0.116315624,0.131248897,0.141295928,0.055975061,0.243082227,0.064968954,0.22560274,0.101953555,0.166661406
3809,C9 H18 O6,C9 H18 O6 Esi+4.091003,222.0999,4.091003,0.741980481,0.868073929,0.493999015,0.661705023,0.718975227,0.44577972,0.820447176,-0.641680741,-0.806200525,-0.445411524,-0.582430518,-0.68766971,-0.427626326,-0.779689508
3810,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.239012",522.4242,16.239012,0.801792947,0.897667239,0.580419016,0.893397823,0.674756737,0.783951781,0.787102879,-0.661659862,-0.773519995,-0.528212686,-0.696592153,-0.623664237,-0.764629527,-0.595271525
3811,C31 H46 O2 S2,Probucol spiroquinone,536.2751,14.279036,1.794521277,1.568859826,2.002139216,1.749723295,1.807835338,1.796649879,1.782959933,1.448516259,1.336744358,1.581858177,1.423876611,1.483805862,1.427183007,1.462270593
3812,C14 H24 O4,Monomenthyl succinate Esi+9.0169935,256.1669,9.0169935,0.116222462,0.015704094,0.176965909,0.009073291,0.226951848,0.16681727,0.082349624,0.030833067,0.030896595,0.03075728,-0.013485323,0.086055193,0.05380652,0.016021236
3813,<none>,<none> Esi+10.275988,643.4501,10.275988,0.302173172,0.39770635,0.134883901,0.277300687,0.252308792,0.448277176,0.209010994,0.318054156,0.437047151,0.1760976,0.359598298,0.230317757,0.473385313,0.217906435
3814,C31 H50 N13 O3,C31 H50 N13 O3,652.4161,13.980972,1.121022128,1.029187341,1.093252423,1.192855107,1.040061073,0.941462657,1.127632137,-1.236570971,-1.30217248,-1.158309521,-1.304381368,-1.172650326,-1.191146062,-1.265858083
3815,C16 H2 O16 P S5,C16 H2 O16 P S5,640.7693,12.681964,0.025981952,0.03694061,0.144063569,0.058874825,0.02713345,0.058012485,0.035704265,0.060270776,0.045129114,0.078334514,0.095690895,-0.006622349,0.090877103,0.04053775
3816,C15 H28 N7,C15 H28 N7,306.2397,10.983977,0.064635211,0.089398859,0.073454985,0.046315043,0.077527406,0.035844032,0.000273595,-0.035354583,-0.129769117,0.0772803,-0.010177918,-0.09961468,-0.036752155,-0.034453517
3817,C25 H40 N2 O6 S,"14,15-LTD4 Esi+10.866966",496.2645,10.866966,1.55517414,1.428399907,1.801409683,1.530826826,1.619951438,1.588013077,1.611358082,1.997012044,1.846809497,2.176201048,2.041899484,1.906579567,2.007281412,1.990391004
3818,C35 H64 O7 S,2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+10.770997,645.4658,10.770997,0.146605611,0.148296806,0.051440938,0.165977862,0.067420272,0.009358694,0.143202955,-0.045501491,-0.034493077,-0.058634336,-0.004921583,-0.13223731,0.064841355,-0.116643589
3819,C17 H29 N,C17 H29 N Esi+10.492997,247.2297,10.492997,1.249726374,1.346699493,1.03510045,1.113086548,1.361452318,1.346803174,1.167455523,-0.672772272,-0.718668551,-0.618018816,-0.597147813,-0.779035573,-0.689450545,-0.662019175
3820,C27 H50 O6,TG(8:0/8:0/8:0) Esi+15.544972,470.357,15.544972,0.338165775,0.167966549,0.694685287,0.368014787,0.404672753,0.29888443,0.475121862,0.260963929,0.172063807,0.367020213,0.261621715,0.249780224,0.215766084,0.290104644
3821,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+14.669976",706.4957,14.669976,0.315111259,0.372674594,0.318391257,0.347036164,0.287225885,0.378471406,0.299715601,-0.064366926,-0.099541156,-0.022404687,-0.078136017,-0.038659159,-0.099745301,-0.041557184
3822,C15 H3 Cl N O13 P S5,C15 H3 Cl N O13 P S5,630.766,13.05499,0.254280725,0.304685239,0.062069451,0.257775135,0.019445613,0.167624088,0.193513785,-0.048987155,-0.074186211,-0.018925124,-0.06477577,-0.038727109,-0.07098878,-0.034801897
3823,C13 H2 O17 P S5,C13 H2 O17 P S5,620.7623,13.416014,0.165839555,0.265356378,0.207105087,0.132373171,0.037612199,0.076727234,0.086358863,0.019105677,-0.039323684,0.088810881,0.030585645,-0.012417302,0.039693437,0.00583199
3824,C17 H34 N6 O5,Lys Gln Lys,402.2583,9.444987,0.083675139,0.017420988,0.177391374,0.170764837,0.064879183,0.011774335,0.178103517,0.054578195,0.042859778,0.068558062,0.084320638,-0.015154931,-0.000646768,0.090183763
3825,C14 H27 N O6,Amiprilose,305.1832,9.31299,1.257972579,1.359460182,0.930207902,1.239776421,1.121483872,1.094935226,1.245018199,-1.094430887,-1.249276225,-0.909703116,-1.071162369,-1.108472804,-1.052711943,-1.121328628
3826,C46 H85 N5 S3,C46 H85 N5 S3,803.5955,13.780025,0.116239645,0.172892046,0.121441789,0.140717236,0.040747041,0.119513418,0.11344741,-0.008040987,-0.047663461,0.039227929,0.01459522,-0.058184448,0.109105834,-0.083569859
3827,C12 H26 O6,C12 H26 O6 Esi+4.8979974 :1,266.1728,4.8979974,0.475145687,0.411428897,0.510937054,0.533037349,0.424800786,0.565582698,0.39225361,-0.25860371,-0.195855137,-0.333461657,-0.258585379,-0.278838917,-0.239754875,-0.270756249
3828,C38 H71 N16 O3 P,C38 H71 N16 O3 P,830.5532,13.382006,0.766671948,0.774996943,0.638022619,0.588577804,0.799833549,0.583600284,0.793901298,1.11231805,1.279089736,0.913362353,1.082375223,1.128562415,1.001838964,1.183547986
3829,C51 H79 N5 O8 P S,C51 H79 N5 O8 P S,952.5365,14.093014,0.236413587,0.381831149,0.06173166,0.229025606,0.177440087,0.146149783,0.22274821,-0.151427874,-0.323648821,0.054028694,-0.121034757,-0.223477886,-0.12589116,-0.167892334
3830,C28 H52 N9 O S2,C28 H52 N9 O S2,594.3732,14.212971,2.126229706,1.926691011,2.298651609,2.115787049,2.144201971,2.039385489,2.177041335,2.045116468,1.919237238,2.195288181,2.011758961,2.082826934,1.961671517,2.098916502
3831,C33 H69 N19 O3 S,C33 H69 N19 O3 S,811.5449,13.357971,0.689810276,0.800405804,0.417829461,0.800526213,0.455110759,0.657341895,0.677538466,-0.298943239,-0.345350775,-0.243579864,-0.346420542,-0.252479724,-0.277421476,-0.312819113
3832,C10 H16 O4,"2,6R-Dimethyl-2E-octen-1,8-dioic acid Esi+5.6639857",200.102,5.6639857,0.28938021,0.272581537,0.218941592,0.120613386,0.295077554,0.256567979,0.322283502,0.243008465,0.239435651,0.247270769,0.255982499,0.193906168,0.269303694,0.226054962
3833,C11 H12 O5,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone",224.0658,0.97000104,0.668379963,0.638874516,0.674099623,0.419080121,0.975065439,0.563804167,0.754068291,0.849520866,0.777039799,0.935989507,0.53582982,1.312616056,0.710595158,0.939091388
3834,C35 H54 O9,"2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol Esi+6.3879795",640.3628,6.3879795,0.715174358,0.953829073,0.31758354,0.791773999,0.469610057,0.969587098,0.474975826,0.317299155,0.49462709,0.105750038,0.382850155,0.203948976,0.53559547,0.176555477
3835,C3 H3 N4 O3 P,C3 H3 N4 O3 P Esi+1.0160028,173.9937,1.0160028,0.843715623,0.829660657,0.804330602,0.880376143,0.739108976,0.793211217,0.80929128,-0.539164498,-0.635396571,-0.424361322,-0.565999598,-0.512220482,-0.636269325,-0.476557438
3836,C32 H49 N9 O P,C32 H49 N9 O P,606.3778,12.416993,0.055312235,0.08667841,0.00042764,0.042576287,0.134475113,0.074786197,0.039269089,-0.013638422,0.029457126,-0.065050655,0.08340319,-0.143137861,0.041228344,-0.049013048
3837,C27 H50 O2,Nervonoylacetone,406.3801,15.938979,1.101395876,1.024647605,0.994233315,0.99639568,1.003738724,1.044769748,0.983577985,-0.727082676,-0.801804955,-0.637940307,-0.719498741,-0.73692146,-0.785596563,-0.689356617
3838,C36 H44 N4 O,Manzamine A Esi+10.172022,548.3521,10.172022,0.813652683,0.919974786,0.632949571,0.871820261,0.548916044,0.980745036,0.667060439,0.456974936,0.564103464,0.329172482,0.543833611,0.309114999,0.636559992,0.341189834
3839,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+6.349986,170.0936,6.349986,1.279884029,1.255739552,1.266473324,1.275704543,1.197335,1.106526564,1.355996544,-0.91937392,-0.907069212,-0.93405322,-0.87951547,-0.947231816,-0.844179672,-0.967854421
3840,C32 H63 N2 O6 P,"PE-Cer(d14:2(4E,6E)/16:0) Esi+10.824973",602.4411,10.824973,0.081928958,0.087879497,0.007969675,0.158692065,0.040019505,0.082986179,0.088830651,-0.02422668,-0.017843494,-0.031841708,-0.00511438,-0.082100945,0.087922747,-0.096533547
3841,C43 H76 N O10 P,"PS(17:0/20:4(5Z,8Z,11Z,14Z)) Esi+13.949968",819.4925,13.949968,0.601053628,0.951625795,0.196088863,0.499163501,0.521938823,0.593735364,0.517552486,-0.253041025,-0.483998099,0.022486714,-0.228581096,-0.281521544,-0.302310119,-0.221275424
3842,C13 H24 N7,C13 H24 N7,278.2087,8.489012,0.252854067,0.305312739,0.126821002,0.376321682,0.017123496,0.421411174,0.057390682,-0.173634153,-0.171014056,-0.176759884,-0.264051495,-0.051577705,-0.247559679,-0.125971643
3843,C21 H20 O16 S,Gossypetin 8-glucoside 3-sulfate,577.0706,13.615981,0.08538621,0.018835278,0.40716186,0.107820809,0.221239127,0.225946031,0.101433935,0.090607107,0.048967904,0.140281947,0.106104706,0.055146199,0.135233407,0.061834888
3844,C19 H38 O3,19-hydroxy-nonadecanoic acid,331.3076,11.415021,1.241622122,1.425523929,0.947578715,1.368161651,1.085816647,1.498148401,1.04063782,-1.027514681,-1.251066506,-0.760821275,-1.127314297,-0.873171406,-1.21410673,-0.907211912
3845,C30 H47 N5 O2,UNC0638 Esi+6.849984,531.3615,6.849984,0.568573385,0.370402025,0.848084506,0.651864646,0.484542889,0.340565425,0.656429391,-0.281554581,-0.154259968,-0.433414821,-0.267518302,-0.320627574,-0.135269666,-0.375869855
3846,C14 H21 N O,Fabianine,236.1885,8.400015,0.915155642,1.313050529,0.533219061,1.079327794,0.819720576,1.521974465,0.599151116,-0.42548336,-0.544449037,-0.283559394,-0.512385605,-0.293404257,-0.578588027,-0.32677114
3847,C24 H40 O8,C24 H40 O8 Esi+10.878022,456.2716,10.878022,1.47158327,1.312924598,1.577983614,1.408736338,1.455159431,1.413211481,1.483889378,1.930639746,1.762195358,2.131590947,1.896244001,1.943215388,1.894688525,1.953818823
3848,<none>,<none> Esi+11.660973 :1,479.8182,11.660973,1.578480648,1.569342618,1.640648305,1.579692796,1.591059682,1.581025091,1.640867471,0.817893968,0.845251264,0.785257193,0.822722373,0.784302409,0.839158821,0.804183733
3849,C49 H71 D8 O13 P,"PtdIns-(1-arachidonoyl, 2-arachidonoyl-d8)",914.5773,9.624016,0.367380359,0.589652098,0.10835592,0.298640503,0.265785725,0.642384081,0.200110168,0.200323399,0.316918738,0.061227206,0.254181876,0.104715878,0.394235066,0.075301403
3850,C10 H16 O4,C10 H16 O4,200.1045,5.557006,0.416843138,0.399885109,0.279380442,0.172914866,0.527764224,0.294565762,0.427526855,0.330453993,0.357436095,0.29826482,0.284752498,0.371186587,0.32893336,0.331434402
3851,C33 H67 Cl N8 O4 S,C33 H67 Cl N8 O4 S,706.4686,12.976016,1.406510917,1.39091666,1.473692953,1.385984661,1.421105617,1.395889648,1.464384773,0.726417215,0.751831351,0.696098598,0.746212934,0.683364292,0.758728819,0.705584734
3852,C20 H2 O14 P S2,C20 H2 O14 P S2 Esi+10.071024,560.8618,10.071024,0.788927368,0.874944979,0.621089556,0.609198339,0.856324816,0.773400717,0.751998475,0.331610407,0.399280515,0.250881155,0.293766355,0.372907983,0.388613156,0.294858634
3853,C6 H8 O2,4-Hexynoic acid Esi+10.583007,112.0523,10.583007,1.468650015,1.591028688,1.310379236,1.652758391,1.345813642,1.577556041,1.246231971,-1.018141263,-1.184717504,-0.819418731,-1.039669478,-0.962145083,-1.047365245,-0.999299486
3854,C47 H80 O5,"DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",741.629,15.700976,2.593695761,2.760290086,2.480054952,2.739275619,2.652506793,2.787063876,2.601446032,-2.345234899,-2.541006356,-2.111682984,-2.360889524,-2.318783852,-2.354565027,-2.339219421
3855,C16 H32 N6 O5,Lys Lys Asn Esi+8.774013,388.2432,8.774013,0.022082925,0.107723196,0.138233432,0.130366028,0.115225229,0.126236597,0.107621702,-0.022158022,0.078940716,-0.142767043,-0.074699684,0.019367243,-0.06440236,0.005078459
3856,C9 H12 N2 O6,Pseudouridine,244.0675,0.92399913,0.036110864,0.01323262,0.106926843,0.171300026,0.295272619,0.330788514,0.259013714,0.004628057,0.026254571,-0.021171994,-0.152310936,0.23425345,-0.365100966,0.24300598
3857,C25 H50 N O9 P,PS(19:0/0:0) Esi+13.302001,538.3115,13.302001,2.398615677,2.149410731,2.680819198,2.38008594,2.503390373,2.263351138,2.494737495,3.280838475,2.946188702,3.680069784,3.10882913,3.518561215,3.096251311,3.399848621
3858,C23 H48 N O6 P,PE(P-18:0/0:0) Esi+6.401985,487.2985,6.401985,1.09818786,0.892049691,1.335787497,1.039915437,1.07907384,0.802079688,1.20500129,-0.641413354,-0.470003887,-0.84590184,-0.566360511,-0.757069562,-0.444642252,-0.768278932
3859,C11 H22 N2 O8,Mannopine Esi+7.689974,310.1384,7.689974,0.959828881,0.796096973,1.188810404,0.774686355,1.106403279,0.974399921,0.979627249,-0.404416304,-0.370324957,-0.445086682,-0.374589564,-0.436345758,-0.465663919,-0.36492771
3860,C40 H64 N3 S,C40 H64 N3 S,618.4795,14.40997,0.670872806,0.70779732,0.420149402,0.526854319,0.773842902,0.629125174,0.635565762,-0.455568852,-0.588324203,-0.297194048,-0.428118224,-0.518065634,-0.533404433,-0.405385386
3861,C31 H59 N8 O P,C31 H59 N8 O P Esi+15.224053,590.453,15.224053,0.571425689,0.496304445,0.539815329,0.38828674,0.675806944,0.316584954,0.610047248,-0.380553901,-0.399418,-0.358049362,-0.283017662,-0.539558273,-0.316050474,-0.422141636
3862,C37 H51 N8 O4,C37 H51 N8 O4,671.4051,13.165023,0.739794374,1.129872477,0.100646653,0.753456096,0.59002338,0.917594384,0.575628269,-0.236824841,-0.457510508,0.026449288,-0.230455385,-0.23721944,-0.335469026,-0.173225302
3863,C14 H2 N O23 P,C14 H2 N O23 P Esi+10.053976,582.8757,10.053976,0.709995341,0.782450532,0.593161176,0.618448167,0.744118689,0.741819801,0.636549219,0.274486269,0.342198108,0.193707232,0.256538933,0.293721413,0.333541764,0.236411015
3864,C17 H14 N8 O18 P S,C17 H14 N8 O18 P S Esi+14.237042,680.9877,14.237042,0.921254209,1.046784378,0.634017566,0.97912602,0.754114483,1.056121417,0.793539152,-0.451764973,-0.549016195,-0.335745971,-0.456623446,-0.448277387,-0.479975514,-0.433576598
3865,C22 H44 N O8 P,PS(P-16:0/0:0),498.3064,12.988022,1.129756692,1.444316004,0.546124336,1.185071058,0.980068186,1.374353967,0.948425409,-0.533197719,-0.761999501,-0.260241207,-0.564930426,-0.467726285,-0.691201968,-0.431326558
3866,C29 H44 O9,Corchorosol A Esi+12.18898,514.3104,12.18898,2.285263616,2.205829207,2.420015987,2.337784924,2.322700479,2.223487636,2.368671675,2.154864727,2.019106627,2.316821758,2.112870784,2.201781063,2.09041146,2.196420122
3867,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside Esi+12.874019,608.3723,12.874019,0.486896474,0.48785361,0.882850321,0.56079913,0.701004827,0.628843678,0.550392967,0.762465428,0.72079409,0.812178603,0.758216352,0.730714338,0.824660975,0.722365668
3868,C25 H50 N O9 P,PS(19:0/0:0) Esi+7.3959966,538.3176,7.3959966,0.615926406,0.66407772,0.252515507,0.384499977,0.664968001,0.6953952,0.420434262,0.403311677,0.544147764,0.235296695,0.290113103,0.546255398,0.494907092,0.344256738
3869,C38 H60 N3 O12,C38 H60 N3 O12 Esi+13.44098,750.4163,13.44098,1.340415104,1.189040864,1.597743049,1.369862317,1.395645601,1.396021718,1.351876009,1.306826131,1.123264487,1.525811951,1.301110953,1.301833972,1.211963032,1.367987865
3870,C17 H41 N4 O6,C17 H41 N4 O6,397.3007,9.656005,0.556158917,0.495806129,0.648979907,0.659415041,0.562789361,0.62966052,0.457987588,-0.437588475,-0.360024439,-0.530121008,-0.475686486,-0.415064756,-0.436795031,-0.438100038
3871,C19 H36 N8 O9,streptothricin F acid,537.2878,6.718009,1.298718284,1.07589394,1.314678815,1.118511114,1.350900081,1.085377103,1.268550571,1.061163446,0.82638932,1.341244858,0.847065361,1.345108871,0.840587763,1.203376715
3872,<none>,<none> Esi+13.840029,532.7104,13.840029,0.292400562,0.135583958,0.639121327,0.307310673,0.373492339,0.456316512,0.27386833,0.166610803,0.118465011,0.224047887,0.193376232,0.11560666,0.230637542,0.125330405
3873,C43 H77 N10 O3 P S,C43 H77 N10 O3 P S,844.5652,14.266041,1.400740566,1.465624931,1.094400234,1.394229609,1.245298021,1.301664266,1.345746825,-1.142746022,-1.332403572,-0.916487892,-1.116658566,-1.180615666,-1.149442843,-1.138428335
3874,C26 H48 N6 O3,C26 H48 N6 O3,490.3501,14.534969,0.839128796,1.103618031,0.232982161,0.882735772,0.588216511,0.448840843,0.837139048,-0.365808557,-0.603199379,-0.082605471,-0.359949545,-0.382292356,-0.192963125,-0.477248375
3875,C47 H87 O13 P,"PI(16:0/22:2(13Z,16Z))",889.5771,14.788027,0.819993529,0.925437624,0.592284111,0.814292782,0.694322744,0.67895501,0.871484914,-0.579831417,-0.742138645,-0.386201741,-0.484165664,-0.674351021,-0.460888828,-0.656518086
3876,C47 H91 O13 P,PI(17:0/21:0),893.6095,13.175031,0.679827765,0.701229576,0.431744508,0.789648072,0.317389998,0.566213085,0.579869299,-0.25052501,-0.318320614,-0.169646044,-0.271496959,-0.241105708,-0.20245103,-0.281520076
3877,C3 H Cl P,C3 H Cl P Esi+1.2990015,102.9483,1.2990015,0.029695938,0.266472374,0.387068662,0.020836116,0.006533627,0.087069617,0.118885128,-0.08375866,-0.366747445,0.253841995,-0.080687361,-0.064548421,-0.198600973,-0.00971559
3878,C19 H38 N6 O6,C19 H38 N6 O6 Esi+9.475989,446.2901,9.475989,0.253062142,0.141688117,0.486005062,0.205209349,0.335022161,0.270121716,0.2947016,0.310515437,0.249608269,0.38317662,0.246243397,0.352087739,0.390789995,0.258759472
3879,C12 H23 N O7,N-(1-Deoxy-1-fructosyl)isoleucine,293.1472,0.87300086,0.496056107,0.364634531,0.502736813,0.675720651,0.243254286,0.584630525,0.351357999,-0.532489803,-0.465646601,-0.612232571,-0.700099514,-0.316597964,-0.671397033,-0.442931195
3880,C16 H24 O7,PGDM Esi+6.0520015,328.1498,6.0520015,1.157737979,1.188040899,1.065495706,1.09101071,1.237482081,1.199240602,1.099549998,-0.505939348,-0.560697637,-0.440613669,-0.482689699,-0.546929025,-0.562436437,-0.469513593
3881,C17 H28 N6 O4,Pro His Lys,380.217,11.484006,2.180082739,2.086079578,2.496844232,2.230182729,2.405325471,2.129384375,2.380839983,2.232425217,1.977042021,2.53709289,2.114025796,2.356236109,2.05735112,2.345301938
3882,C46 H81 N O17,C46 H81 N O17,919.5501,11.118982,0.559547575,0.243829689,1.128026798,0.506277457,0.714235481,0.429717958,0.722934003,0.30536139,0.162531992,0.475754357,0.311494615,0.298547756,0.249203382,0.341568527
3883,<none>,<none> Esi+12.263982 :1,486.826,12.263982,1.716926244,1.752330343,1.780214229,1.75318476,1.737061515,1.799379242,1.761939797,0.888039842,0.933581591,0.833709335,0.917901868,0.826016698,0.950010445,0.848085112
3884,C14 H6 N5 O18 P S,C14 H6 N5 O18 P S Esi+11.867988,594.9154,11.867988,0.136888321,0.024835995,0.368471461,0.193563536,0.048140908,0.26073919,0.108492252,0.026468853,-0.053037328,0.121318332,0.027952232,0.002951206,0.047100555,0.013166835
3885,C28 H38 N6 O2,BIX01294,490.3036,14.741961,0.049312301,0.11992566,0.364202915,0.099613497,0.050610958,0.179764667,0.017035981,0.068226499,-0.005438796,0.156107902,0.094114613,0.013409209,0.134057064,0.025783108
3886,C48 H76 N2 O4 S,Chaulmosulfone,775.5439,14.325981,0.016308299,0.090634745,0.14642773,0.264442453,0.209378842,0.067502332,0.012705247,0.082903825,0.162921795,-0.012556209,-0.036969705,0.226511687,0.039807074,0.110689889
3887,C6 H11 N O3,L-trans-5-Hydroxy-2-piperidinecarboxylic acid,145.074,1.6090009,1.314620479,1.272562944,1.127586277,1.124344334,1.344868121,1.266278036,1.205499687,1.00744631,1.154116851,0.832470927,0.963715803,1.098405973,1.098407195,0.948800476
3888,C29 H55 O12 P,PI(20:1(11Z)/0:0),626.3434,13.173022,1.964144903,1.764477327,2.07429478,1.833780839,2.024603906,1.799230916,2.024390994,1.929163033,1.794346186,2.089997167,1.857843274,2.022234765,1.813326793,2.003846925
3889,C32 H60 N2 O3 S2,C32 H60 N2 O3 S2,584.4035,15.048033,0.041319624,0.059309002,0.093014582,0.030042309,0.06864024,0.257473408,0.01224209,0.148098793,0.145451106,0.151257438,0.140010296,0.150200384,0.279366286,0.063465805
3890,C33 H54 O5,Vitamin E succinate(tocopherol succinate),530.3999,16.77496,0.87043181,0.895412908,0.777267093,0.794198538,0.87397269,0.890846599,0.832812924,0.353112995,0.356268393,0.34934866,0.335750245,0.367211454,0.345448889,0.358054326
3891,C12 H22 O5,Dibutyl malate Esi+7.1140113 :1,246.1472,7.1140113,0.331577709,0.098472273,0.68788794,0.128279436,0.567395979,0.213709735,0.442432518,0.339198616,0.195657621,0.510440503,0.262865957,0.424772323,0.259369138,0.390667621
3892,<none>,<none> Esi+13.827959,564.3273,13.827959,1.752796646,1.549611802,1.796909877,1.760897709,1.593508565,1.634298679,1.726127351,1.835104135,1.647963405,2.058359743,1.892188154,1.766465922,1.795183997,1.860842118
3893,C18 H22 O5,6-Hydroxyenterodiol,318.142,8.551019,0.433460626,0.23413398,0.601349881,0.223390394,0.659314418,0.203549597,0.554490769,0.258575114,0.179106289,0.353380027,0.099085598,0.478235049,0.108277383,0.355477598
3894,C37 H68 N5 O12 S,C37 H68 N5 O12 S,806.4582,16.306952,1.081658628,1.064062481,1.025491914,1.053121347,1.046968094,1.199327819,0.971463883,1.013734952,1.037439859,0.985455413,1.050404364,0.964583097,1.191984013,0.898811215
3895,C21 H2 O20 P,C21 H2 O20 P,604.8889,10.021979,0.750020334,0.694161658,0.698241398,0.490668489,0.920021296,0.541292842,0.786643327,0.290675459,0.314925268,0.261745861,0.199829605,0.413318339,0.264383794,0.307626663
3896,C37 H52 O7,Avenestergenin A2 Esi+7.9310226,608.3738,7.9310226,0.288509552,0.28146139,0.277723568,0.436032448,0.053206073,0.561788154,0.06799878,-0.265258339,-0.185559635,-0.360337494,-0.398924412,-0.109348031,-0.42479796,-0.162397267
3897,C17 H28 O2 S,S-Farnesyl Thioacetic Acid Esi+4.508,313.2098,4.508,0.75446273,0.725513771,0.737316743,0.567198648,0.842390066,0.659963851,0.835088366,0.535843803,0.470812593,0.613424894,0.4783443,0.637407917,0.448749972,0.591996404
3898,C27 H51 O12 P,PI(18:1(9Z)/0:0) Esi+12.433995,598.3117,12.433995,2.715110325,2.611001785,2.841292715,2.759130942,2.785237911,2.642377748,2.785673757,4.342384008,4.197834683,4.514828817,4.182032364,4.542603481,4.152146275,4.465037284
3899,C49 H84 N O8 P,"PE(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",433.7878,8.265013,0.463512832,0.418467604,0.588686888,0.592399546,0.263025705,0.48952785,0.407165293,-0.278290726,-0.192254394,-0.380930562,-0.323506762,-0.226805673,-0.207411944,-0.323988889
3900,C23 H22 O7,"(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate)",427.1637,15.295965,1.64042538,1.796543577,1.194610395,1.564662822,1.548310482,1.561648643,1.594546921,-1.856956071,-2.153696877,-1.502949495,-1.831198592,-1.89442198,-1.959554724,-1.790806939
3901,C8 H10 O6,Ethyl aconitate,202.0453,0.99699765,0.263120792,0.173803889,0.34859617,0.196497556,0.238442392,0.418573475,0.132003812,0.461363035,0.371930004,0.568055071,0.469798587,0.418290422,0.77520397,0.259018221
3902,C52 H82 O4 S3,C52 H82 O4 S3,866.5368,14.499019,0.104178545,0.015525722,0.206101973,0.139080414,0.061171883,0.103853883,0.116928867,0.215347393,0.131478383,0.315401651,0.278054463,0.116506364,0.201490596,0.224281381
3903,C41 H69 O8 P,"PA(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",719.4661,8.741972,0.893484549,0.877102296,0.965137457,0.929505517,0.848745658,0.767717571,0.923235348,-0.565163968,-0.457561565,-0.693531747,-0.566645665,-0.578452425,-0.426088097,-0.654831306
3904,C27 H8 N4 O17 P,C27 H8 N4 O17 P Esi+13.420969,690.9622,13.420969,1.363486801,1.32239782,1.521062819,1.338975893,1.451907195,1.348792357,1.473607554,0.709759186,0.713252502,0.705591723,0.712525229,0.692380843,0.719148101,0.703705807
3905,<none>,<none> Esi+13.540025,456.8155,13.540025,2.085574875,2.169587712,2.123903118,2.150601544,2.183520302,2.271803295,2.093115151,1.037195008,1.093197292,0.970385265,1.050841687,1.004020852,1.102161345,0.995308817
3906,C20 H30 O4,"(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid Esi+11.069004",334.2114,11.069004,0.797221822,0.921629151,0.579575524,0.738465294,0.851676864,1.005534916,0.600743996,-0.488451206,-0.562393712,-0.400239094,-0.495299221,-0.501608792,-0.65094586,-0.383684916
3907,C32 H50 O7,Hovenidulcigenin B Esi+12.031005,546.3514,12.031005,1.394283913,1.15156528,1.881098944,1.223103518,1.833468383,1.147468976,1.743552379,1.67761219,1.291379764,2.138380697,1.399837977,2.03759586,1.303127738,1.919056112
3908,C21 H40 N O4,cis-5-Tetradecenoylcarnitine Esi+10.805995,369.2869,10.805995,0.392915329,0.489294566,0.206887737,0.353101564,0.416773932,0.295471441,0.419177837,0.566445683,0.74669544,0.351410886,0.549827148,0.529125222,0.504939291,0.60610112
3909,C12 H25 N O3,C12 H25 N O3,231.1841,8.410008,1.069456971,1.325639987,0.473072597,1.047658728,0.939730724,1.423775642,0.766203208,-0.975573935,-1.284723083,-0.606764424,-1.026854522,-0.864863005,-1.413726002,-0.693081155
3910,C21 H22 N3 O26 P,C21 H22 N3 O26 P Esi+12.375,763.0227,12.375,0.290852973,0.218649396,0.465568432,0.25504784,0.365427731,0.369492741,0.316696244,0.197080109,0.182907776,0.213987453,0.222726995,0.138806222,0.261374581,0.155627094
3911,C32 H2 O13 P,C32 H2 O13 P,624.9227,13.676021,1.515984231,1.587880018,1.531488949,1.607950743,1.436102951,1.673860216,1.478571624,0.874241335,0.92535911,0.813258726,0.949201036,0.751598443,0.976078959,0.808582867
3912,C51 H79 N O13,Rapamycin,930.5731,8.694981,0.543561805,0.799663253,0.104805854,0.636125718,0.231502025,0.972416481,0.20129149,0.292486471,0.457626369,0.095477469,0.40664384,0.101145109,0.57262981,0.111867739
3913,C43 H76 N O8 P,"PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",764.5228,13.92602,1.304294735,1.385526791,1.087260859,1.256224606,1.196355127,1.417983234,1.18927304,1.3227574,1.441165684,1.181498394,1.401125415,1.18534969,1.53448459,1.18624908
3914,C20 H32 O8,Cincassiol B Esi+11.730976,417.2363,11.730976,1.372418574,1.060690576,1.894848862,1.333345903,1.572048281,1.403934439,1.461523448,1.156509257,0.83069385,1.545201322,1.085934892,1.278072587,1.113650557,1.184141841
3915,C30 H51 Cl N2 O,C30 H51 Cl N2 O,490.3535,14.535963,0.890290699,0.996370978,0.594605243,0.784397264,0.86723827,0.477970544,0.97147029,-0.533384917,-0.657477707,-0.385344395,-0.468031691,-0.626461674,-0.317888157,-0.672323617
3916,C25 H40 O4,"Androstane-3,17-diol dipropionate Esi+11.560037",421.3182,11.560037,0.969643371,1.028508405,0.748001596,0.936281422,0.872364294,0.9703445,0.87959172,-0.593784992,-0.710550308,-0.454486019,-0.565761895,-0.628715633,-0.626710645,-0.572556611
3917,C26 H41 N4 O6,C26 H41 N4 O6,505.302,12.761985,1.897655157,1.640620001,2.185662365,1.835822684,2.042458288,1.661960882,2.069881991,2.711424468,2.312251741,3.187630528,2.532768018,2.94905521,2.421898063,2.898092808
3918,C18 H30 O3 S,2-Dodecylbenzenesulfonic acid Esi+4.3770065,326.1937,4.3770065,0.028783082,0.275903101,0.395875123,0.473373974,0.524662885,0.187860887,0.153219594,-0.003796417,0.241332249,-0.296230616,0.267497135,-0.407178521,0.128725571,-0.089238226
3919,C38 H75 O10 P,PG(12:0/20:0),739.5423,15.287044,1.213608005,1.41599147,0.773454641,1.189003302,1.083887801,1.251151418,1.099024979,-0.52812268,-0.679151582,-0.347947849,-0.530218364,-0.529913695,-0.527448964,-0.528557049
3920,C11 H14 O3,3-Hydroxyphenyl-valeric acid,194.0919,6.620981,0.800441529,0.569724286,0.912362068,0.670802215,0.747513914,0.652641123,0.781046391,0.528380126,0.424408296,0.652416695,0.484998615,0.584276518,0.486069527,0.555659327
3921,C21 H36 N O,Tridihexethyl Esi+9.496989,317.2719,9.496989,0.626033132,0.450088062,0.686993901,0.366610834,0.779018798,0.489747026,0.631456701,0.309608332,0.282334246,0.342145838,0.247846477,0.392876508,0.328238492,0.297596781
3922,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Esi+3.927992",206.0553,3.927992,0.164256363,0.390415006,0.052688351,0.377613528,0.009739772,0.165506146,0.221777519,-0.216090546,-0.445050197,0.057054302,-0.307894845,-0.073721783,-0.222146223,-0.212186228
3923,C14 H18 N2 O2,C14 H18 N2 O2 Esi+4.031005,246.1377,4.031005,0.195872553,0.026152019,0.378254377,0.353420776,0.015936244,0.067513191,0.192787678,-0.069227445,0.21711023,-0.410823269,-0.107858573,0.032934649,0.203132435,-0.244827895
3924,C23 H44 N O4,trans-Hexadec-2-enoyl carnitine Esi+11.689963,397.3188,11.689963,0.143709774,0.266520821,0.133128904,0.104289933,0.063158591,0.056433781,0.082588831,-0.054760626,-0.170676808,0.083525344,-0.064730817,-0.039007408,-0.003665703,-0.087703406
3925,C8 H16 N2 O7,Cycasin,252.0951,1.4930011,0.613793365,0.860329092,0.176121831,0.358084978,0.776673913,0.55663087,0.550269231,0.392754106,0.61147685,0.13182171,0.250756912,0.5996301,0.338433481,0.427776615
3926,C19 H28 N6 O6,Phe Asp Arg Esi+12.689963,436.2072,12.689963,2.134411668,1.86266916,2.312982506,2.039207528,2.208891877,1.921323412,2.211384901,3.035798931,2.722758678,3.409250461,2.855481967,3.288673878,2.790811579,3.193751303
3927,C32 H60 N O10 P,PS(14:1(9Z)/12:0) Esi+8.541014,666.4155,8.541014,0.474657194,0.686743925,0.125847694,0.445572051,0.371742628,0.663085376,0.322019285,0.198379751,0.334648499,0.035813526,0.229916537,0.13175464,0.341283788,0.106244253
3928,C25 H38 O7,Laserpitin,450.2618,12.315985,1.476189835,1.277656967,1.578823176,1.454527612,1.263577518,1.51038081,1.328783776,1.121200975,1.048528812,1.207897592,1.137558679,1.08888927,1.166436696,1.09203584
3929,C23 H48 N9 O3 P,C23 H48 N9 O3 P,529.3617,11.859007,2.388239477,2.288745133,2.710685537,2.444920032,2.558543059,2.360389275,2.540087963,3.386337912,3.049506712,3.788171623,3.243641957,3.555414575,3.238236438,3.481824388
3930,C32 H52 N6 O10,C32 H52 N6 O10,680.375,13.108969,0.280477785,0.222806375,0.238647919,0.177331972,0.31642898,0.009164465,0.341037145,-0.145211644,-0.220166399,-0.055791935,-0.046187468,-0.290419275,0.008464366,-0.244292228
3931,C44 H84 Cl3 N4 O,C44 H84 Cl3 N4 O,789.5741,13.842026,0.061397933,0.248303178,0.297898009,0.102659776,0.077783837,0.064340347,0.034209687,-0.091887751,-0.208135796,0.046794127,-0.075425747,-0.136459837,-0.108683499,-0.081058913
3932,C20 H53 N21 O P,C20 H53 N21 O P,634.45,13.793964,0.384199632,0.42948354,0.273341857,0.413961686,0.400617418,0.265092101,0.368854612,-0.165067867,-0.194406299,-0.130067632,-0.095095219,-0.308205791,-0.02800895,-0.253434801
3933,C18 H47 N21 O2 P S,C18 H47 N21 O2 P S,652.367,7.178984,0.779820426,0.721535543,0.744114604,0.708218691,0.654245014,0.743027466,0.712536001,0.374854396,0.348892188,0.405826855,0.376042627,0.353854462,0.393019597,0.363142622
3934,C10 H20 O16 P S2,C10 H20 O16 P S2,490.9959,12.916993,1.99212945,1.976247738,2.06619436,1.995139778,2.074237078,2.037423181,2.025711215,0.870319704,0.893498762,0.842667494,0.871615929,0.856318362,0.88764412,0.859150014
3935,C28 H61 N O6 P,C28 H61 N O6 P,536.4076,14.957019,1.536625496,1.709237012,1.368796713,1.602589409,1.521604303,1.656350816,1.486269541,-1.338564689,-1.60190809,-1.024400632,-1.317075083,-1.39288132,-1.366486986,-1.320562155
3936,<none>,<none> Esi+13.018009 :1,552.7153,13.018009,0.12054039,0.049961348,0.335972633,0.003550683,0.352547583,0.055971177,0.285055225,0.109551759,0.090847465,0.131865654,0.105034228,0.104586966,0.102826274,0.113887927
3937,C32 H48 O6,"(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid Esi+13.78596",528.3436,13.78596,0.466649789,0.876291234,0.174000874,0.496300962,0.366686136,0.568035197,0.33169389,-0.139103923,-0.334081927,0.093501414,-0.157274739,-0.107989853,-0.229416092,-0.080876341
3938,C44 H78 N O10 P,"PS(16:0/22:4(7Z,10Z,13Z,16Z)) Esi+8.186011",828.5615,8.186011,0.200293052,0.165404677,0.530083991,0.319763452,0.220865574,0.176656312,0.276869914,-0.028250144,-0.064304837,0.014762473,-0.119105333,0.09248066,-0.087304397,0.009824309
3939,C19 H33 N O,17beta-Amino-5alpha-androstan-11beta-ol,308.2823,11.840019,1.492536444,1.684056005,1.27355351,1.579723935,1.501537436,1.839580203,1.389221918,-0.730719393,-0.885048193,-0.546607843,-0.74757177,-0.692378652,-0.84283551,-0.658434002
3940,C16 H28 O5,Tetranor-PGF1alpha Esi+7.7159758,317.2197,7.7159758,1.164381564,1.016448569,1.313010726,1.019220149,1.312441439,1.138937254,1.163991812,0.731138418,0.647818137,0.830538051,0.638728827,0.846187125,0.707510137,0.746372441
3941,C16 H40 N7 O6,C16 H40 N7 O6,426.2977,14.614013,0.271802333,0.464336266,0.194554206,0.065340077,0.335639973,0.018748977,0.354259617,-0.006835355,-0.130707349,0.14094176,0.105660636,-0.15605264,0.106055753,-0.079620412
3942,C15 H21 N5 O4,Isopentenyl adenosine,352.1874,11.145015,1.325321357,1.146227282,1.636475105,1.347175782,1.380594847,1.351690979,1.432241137,0.64885378,0.581091558,0.729692921,0.694222022,0.583409867,0.671561792,0.634213087
3943,C15 H3 O20 S,C15 H3 O20 S,534.8941,14.081037,0.588452926,0.652956689,0.343934552,0.700506469,0.366375777,0.483925675,0.547472752,-0.239480978,-0.284988424,-0.185191392,-0.251141646,-0.238023957,-0.180884434,-0.277260328
3944,C17 H17 Cl N11 O12,C17 H17 Cl N11 O12,602.0742,12.019025,0.307750797,0.131069089,0.607178201,0.213406948,0.422439334,0.241832108,0.438090488,0.288445913,0.184198199,0.412811607,0.258282829,0.304683809,0.269525357,0.300644693
3945,C27 H53 Cl N7 P,C27 H53 Cl N7 P,541.3843,9.62999,0.179085995,0.062095672,0.316131561,0.016398461,0.349567557,0.143393947,0.208240703,0.181029455,0.13660264,0.234029867,0.119565219,0.239928341,0.19996514,0.168820922
3946,C8 H12 O3,"2,5-Dimethyl-4-ethoxy-3(2H)-furanone",156.0783,7.8070064,0.272399452,0.173192206,0.375887619,0.268828753,0.216560159,0.347461981,0.167052338,-0.078832197,-0.047530556,-0.116174505,-0.116910443,-0.038599054,-0.149677154,-0.033155843
3947,C24 H30 O7,Melleolide H,430.2014,8.692004,0.17613358,0.432608584,0.34497931,0.036493228,0.082003878,0.461876768,0.089266676,0.004594996,-0.065969679,0.088777414,-0.025876422,0.038221329,-0.120188256,0.085047355
3948,C27 H47 N7 O6,JSTX-3 Esi+7.8699956,564.348,7.8699956,0.032456426,0.055691013,0.32145217,0.107334382,0.057368109,0.070221414,0.0320849,-0.109141501,0.018096138,-0.260933773,-0.184106463,-0.032945848,-0.102030467,-0.113726247
3949,C12 H20 N4 O2,Hexazinone Esi+4.5909967,252.1568,4.5909967,1.350078558,1.380467528,1.297816089,1.421967434,1.336195385,1.329381269,1.3685552,0.548760438,0.559602227,0.535826375,0.562496157,0.536116111,0.562079754,0.540172985
3950,C17 H29 N O4,C17 H29 N O4 Esi+7.91601,311.2092,7.91601,0.28869046,0.245434984,0.336391593,0.463736662,0.205843684,0.428227488,0.263823526,0.205005327,0.263967523,0.134664463,0.313199715,0.070911218,0.284587705,0.153695636
3951,C19 H51 Cl N21 O3,C19 H51 Cl N21 O3,656.4213,11.150969,1.653845903,1.549910711,1.763873845,1.577381792,1.80216661,1.573540442,1.761981509,0.859497885,0.827187194,0.898043972,0.824133148,0.885484214,0.832799827,0.876711106
3952,C12 H20 N2 O2,Aspergillic acid Esi+5.409998,224.152,5.409998,0.455682189,0.311461782,0.611765391,0.223738027,0.697411731,0.292609407,0.592959163,0.488126827,0.308664073,0.702222744,0.368398556,0.632240495,0.392978635,0.549472372
3953,C17 H33 N O5,C17 H33 N O5 Esi+7.5,331.2355,7.5,0.981129211,1.099737129,0.786231234,1.098629203,0.873490485,1.172110554,0.845357504,0.623658365,0.75513154,0.466813174,0.667151932,0.568294337,0.729891366,0.555166035
3954,C16 H29 N O5,Butoctamide hydrogen succinate Esi+4.505004,315.2037,4.505004,1.483598445,1.494680948,1.674728902,1.384639589,1.833471089,1.455986829,1.636234969,1.227251681,1.051963254,1.436367698,1.133662275,1.392079148,1.132712504,1.288204571
3955,C21 H36 O9,"Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate Esi+9.515993",432.2363,9.515993,1.64529736,1.51927742,1.475050308,1.554851188,1.46572953,1.544684081,1.533614959,3.405551381,3.447713189,3.355253082,3.451785811,3.313915832,3.551984114,3.311140803
3956,C19 H30 O5 S,5?-androstane-3?-ol-17-one sulfate,369.176,13.81804,1.31687254,1.409855475,0.987734775,1.298995242,1.221315035,1.324693687,1.220275153,-1.191203065,-1.368301672,-0.979927535,-1.200501842,-1.197724179,-1.336847637,-1.097300645
3957,C51 H95 O12 P,"PI(P-20:0/22:2(13Z,16Z))",929.6369,13.728023,0.837568064,0.859052045,0.594045501,0.894276798,0.500324557,0.684540192,0.809832806,-0.340618221,-0.423822464,-0.241357018,-0.358449811,-0.337412641,-0.296123298,-0.369305737
3958,C16 H34 O4,C16 H34 O4 Esi+12.330012,290.2455,12.330012,0.079722405,0.271079685,0.207786058,0.148714924,0.029770057,0.155460405,0.011883269,0.051927041,-0.084635831,0.214844152,-0.009947664,0.115444294,0.031107791,0.065349978
3959,C32 H50 O10,13-Deoxytedanolide,611.3676,11.152016,0.015330991,0.394757428,0.751610779,0.066255634,0.188784154,0.119741323,0.158138446,0.060952531,-0.115140623,0.271028574,0.050239254,0.074119525,-0.008259087,0.105575811
3960,C37 H26 Cl N2 O S,C37 H26 Cl N2 O S,581.1459,9.9100065,0.351871509,0.299727685,0.297200385,0.276342815,0.252341619,0.145500668,0.386778602,-0.322029893,-0.289370542,-0.360991926,-0.346960451,-0.341842512,-0.190539535,-0.406806572
3961,C35 H54 O13,Evobioside Esi+12.181973,682.3558,12.181973,0.93119499,0.835218451,1.117163386,1.021121866,0.870436653,1.0727553,0.867341329,1.037243981,0.914067704,1.184191118,1.147279559,0.869728387,1.12291362,0.982009608
3962,C17 H43 N18 O3 P,C17 H43 N18 O3 P,578.3544,14.197017,1.864191325,1.670554127,1.928869726,1.829215242,1.779516468,1.679395276,1.869529178,2.034073049,1.966763558,2.114372092,2.034572232,2.041085128,1.980845586,2.068390756
3963,C14 H17 F3 N2 O3,Fluvoxamine acid,317.1122,0.85000175,1.209639572,1.387897072,0.790997263,1.280956092,1.037301656,1.298444742,1.087274978,-0.679416676,-0.971603894,-0.330842452,-0.742737158,-0.593565475,-0.862122742,-0.561619345
3964,C22 H41 N14 O3 P,C22 H41 N14 O3 P,580.322,12.142999,2.237092233,2.146496384,2.343557401,2.237326601,2.285831577,2.10682526,2.354695958,2.801494325,2.65062436,2.981479546,2.750184669,2.841482868,2.721944247,2.852783191
3965,C24 H32 N4 O4,Phe Phe Lys,440.2466,10.209981,0.100943011,0.044865414,0.171558388,0.011263721,0.118847019,0.303163576,0.031070016,0.093334363,0.069963124,0.121215841,0.112800109,0.046830753,0.216474635,0.013941292
3966,C16 H35 N O3,C16 H35 N O3,289.2612,9.593013,1.607748171,1.564162915,1.512809781,1.433353887,1.750380952,1.419866138,1.702996926,0.429668078,0.428621921,0.430916125,0.412116226,0.461186475,0.400263389,0.448626364
3967,C34 H56 N2 O2 S,C34 H56 N2 O2 S,556.4079,13.96503,0.128344221,0.18231792,0.014554917,0.248562868,0.047560463,0.010827219,0.132133185,-0.038134424,-0.023375971,-0.055740998,-0.012693791,-0.092296233,0.135323633,-0.149969223
3968,C16 H36 N,Tetrabutylammonium Esi+10.367998,241.2766,10.367998,0.013709786,0.034770542,0.184152397,0.09782138,0.050599371,0.149445206,0.023621601,0.027772192,-0.080486555,0.156922978,0.051071349,-0.032728791,0.151919201,-0.052269959
3969,C12 H26 O3,"8,8-Dimethoxy-2,6-dimethyl-2-octanol",218.1879,10.822017,0.594169832,0.673273473,0.36873642,0.565478119,0.531742003,0.493159528,0.584799276,-0.286486152,-0.390717714,-0.162139728,-0.29945049,-0.295324902,-0.240352213,-0.316230402
3970,C11 H O18 P S,C11 H O18 P S,483.8605,13.87697,0.347967015,0.368401653,0.121024059,0.358143171,0.194669149,0.127681775,0.338781051,-0.115859461,-0.133149139,-0.095233178,-0.095118716,-0.156914214,-0.024143665,-0.174992013
3971,C23 H34 N7 O3,C23 H34 N7 O3,456.2711,11.12101,1.289050141,1.410896664,1.121186865,1.282204104,1.190040576,1.308334772,1.240539936,0.874415431,0.984128848,0.74352925,0.893241346,0.807845801,0.952509204,0.824065499
3972,C8 H13 N O2,Retronecine,155.0952,3.60999,0.500560225,0.490862948,0.561017613,0.644136348,0.402973852,0.393000961,0.539305768,-0.838424939,-0.721603416,-0.977790967,-0.755412133,-0.938600819,-0.454005447,-1.086274348
3973,<none>,<none> Esi+12.908995,583.7206,12.908995,1.905843597,1.957327049,1.948182986,1.974871394,1.996684549,1.974100102,1.973405632,1.009021348,1.054082889,0.955263721,1.023047801,0.971198352,1.018909561,1.002646053
3974,<none>,<none> Esi+8.31701,466.7927,8.31701,0.113359741,0.075285292,0.084083955,0.084655023,0.357237896,0.259076599,0.25251173,-0.02199014,0.017060453,-0.068576812,-0.157521336,0.160900689,-0.152758703,0.06232117
3975,C15 H20 O5,"8-Deoxy-11,13-dihydroxygrosheimin Esi+6.609007",280.1285,6.609007,0.155085324,0.267773996,0.017940696,0.206336624,0.023656779,0.240696664,0.073721936,0.092389178,0.14731093,0.02686849,0.185374492,-0.048992169,0.226702244,0.005792596
3976,C21 H27 N3 O6,Casimiroedine Esi+0.87699914,417.1856,0.87699914,1.223951219,1.201405624,1.215753414,1.245844626,1.115321776,1.370882708,1.120858254,-1.268048084,-1.308327866,-1.219995012,-1.300921176,-1.176633396,-1.609320756,-1.048017019
3977,C12 H8 O3,5-Methylangelicin Esi+3.6500077,222.0294,3.6500077,0.39814973,0.199899463,0.558753597,0.237083547,0.332643068,0.425135439,0.310505544,0.32099948,0.157001655,0.516646008,0.318721544,0.319823567,0.364131484,0.293190688
3978,C41 H66 O12,Ursolic acid 3-[glucosyl-(1-4)-xyloside],750.4538,14.114012,0.416618815,0.411936117,0.25114037,0.358232232,0.301569047,0.158722466,0.429997366,-0.271867766,-0.306533217,-0.23051249,-0.223009186,-0.37856599,-0.145779908,-0.353161253
3979,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.913005,285.2663,9.913005,0.088006991,0.061892102,0.230126104,0.379358431,0.136800958,0.232649661,0.10632232,0.100939475,0.028900797,0.186880354,0.223361623,-0.062303754,0.108657056,0.095963666
3980,C41 H68 O12,Melilotoside B,752.4726,12.895997,1.266240821,1.305908572,1.018051811,1.151373634,1.090347591,1.173198314,1.183677748,1.044922677,1.170559634,0.895039992,1.085521898,0.96665489,1.127500025,0.991682019
3981,C23 H44 N2 O12,C23 H44 N2 O12 Esi+9.982012,540.3134,9.982012,2.02352829,1.934855462,2.075227853,2.110480944,1.953413601,2.072116329,2.01002428,2.36213048,2.236430274,2.512088619,2.316299674,2.399738081,2.293054211,2.406666495
3982,C35 H56 O7,Sanguisorbin B,588.3976,12.791014,0.851611941,0.467028224,1.273656463,0.699595004,1.098658019,0.21688901,1.221735745,-0.471881312,-0.359924592,-0.605443715,-0.345130224,-0.688617191,-0.118011913,-0.700033951
3983,C29 H46 N2 O3,N-stearoyl tryptophan Esi+12.944019,470.3454,12.944019,0.179119625,0.332397117,0.189481121,0.227451554,0.017612183,0.040390411,0.131325645,-0.027843435,-0.096191614,0.053694743,-0.012421064,-0.062378601,0.032544556,-0.066777798
3984,C19 H22 N2 O3,Caribine,343.19,10.548004,0.370942731,0.362274737,0.177304032,0.5070469,0.151772864,0.331298308,0.267298661,-0.137940608,-0.195190046,-0.069643034,-0.12786841,-0.136051174,-0.100644348,-0.161986882
3985,<none>,<none> Esi+12.827958,493.834,12.827958,1.57280251,1.635683365,1.491751683,1.632833137,1.588514627,1.551235165,1.615885481,1.196734266,1.286870293,1.089203567,1.20064402,1.207414655,1.112401294,1.25110684
3986,C19 H21 F O4,1-Dehydro-9-fluoro-11-oxotestololactone Esi+4.8109956,332.145,4.8109956,0.274159682,0.298691912,0.392657223,0.621494632,0.18356413,0.435863641,0.215929541,0.148498009,0.189736033,0.09930177,0.262807166,-0.001113786,0.237926695,0.090840041
3987,C12 H20 O6,Glycerol tripropanoate Esi+4.932994,282.107,4.932994,0.778998377,0.739294722,0.717328846,1.064011549,0.506076598,1.060131574,0.474561825,-0.481422476,-0.432790558,-0.539439503,-0.562580986,-0.388220517,-0.570183914,-0.424194708
3988,C29 H54 Cl N15 P S,C29 H54 Cl N15 P S,710.385,12.020997,1.002360043,0.747170894,1.186416085,0.898066804,0.976159941,0.839849831,1.071935668,0.770337723,0.637020247,0.929383133,0.741105073,0.794279163,0.686302563,0.824518287
3989,C6 H11 Cl N5 O4 S,C6 H11 Cl N5 O4 S,284.022,1.240998,0.120434373,0.123620727,0.492192058,0.211212335,0.103347305,0.20794208,0.139001049,0.041203344,-0.199104891,0.327886851,0.059032934,0.035421313,0.051249889,0.034725966
3990,C23 H36 N7 O4,C23 H36 N7 O4,474.2825,10.941981,2.111875723,2.000424792,2.287342182,2.140618072,2.158690639,2.071789351,2.193576642,3.070963687,2.941191591,3.225779522,3.094596681,3.002575305,3.041298225,3.090090104
3991,C33 H52 O7,Vitamin D3 glucosiduronate Esi+12.531986,560.3713,12.531986,0.020724275,0.148432161,0.102714543,0.043742479,0.125862019,0.16428379,0.025621476,0.122052268,0.230796267,-0.007677416,0.221230751,-0.049912638,0.277963001,0.021530874
3992,C43 H88 N3 O14 S2,C43 H88 N3 O14 S2,934.564,14.760009,0.168436368,0.11581639,0.189080791,0.189180233,0.104433307,0.139335616,0.217002097,0.197600392,0.175816147,0.223588614,0.250866627,0.110409981,0.204749273,0.192991246
3993,C19 H33 N3 O2,C19 H33 N3 O2,335.2565,6.890993,0.682448918,0.656214566,0.611664801,0.670384589,0.575103228,0.474130418,0.744675638,0.629071738,0.620455091,0.639351247,0.629810806,0.604410795,0.479207579,0.725694683
3994,C27 H36 F2 O6,Flumethasone pivalate Esi+10.266013,494.2486,10.266013,2.063917842,1.978872778,2.227649272,2.020378804,2.189536363,2.076340903,2.13261214,2.257915196,2.118928355,2.423724059,2.187666005,2.338518801,2.264095763,2.253930356
3995,C17 H34 N6 O5,Lys Gln Lys Esi+9.458987,402.2588,9.458987,1.027277223,1.016110525,0.796591606,1.049027046,0.803345929,0.881932955,0.978717555,1.479478241,1.765485053,1.138277133,1.524685281,1.415297791,1.353015704,1.561013298
3996,C30 H57 O8 P,PA(15:1(9Z)/12:0) Esi+15.099055 :1,576.3786,15.099055,0.423888617,0.406335095,0.323671372,0.457051923,0.249853153,0.291639108,0.351588842,-0.164755288,-0.228563406,-0.088633322,-0.157263288,-0.18614516,-0.111082606,-0.199360043
3997,C40 H75 O12 P,PI(P-16:0/15:1(9Z)),775.4836,13.379984,1.639584807,1.523101181,1.770713625,1.646692044,1.671171829,1.650432023,1.683228696,2.361726952,2.087602103,2.688753088,2.263430637,2.472473776,2.198687475,2.466844509
3998,<none>,<none> Esi+13.893011,769.5411,13.893011,0.399209627,0.283633285,0.644425569,0.345753475,0.468583707,0.439027,0.444017483,0.229257601,0.198874016,0.265504683,0.22859054,0.210493993,0.259481827,0.209770928
3999,C17 H33 N O4,C17 H33 N O4 Esi+12.333007,315.2407,12.333007,1.354901442,1.576601192,0.885538232,1.278871221,1.312441693,1.343955894,1.319540641,-0.787561331,-0.984493731,-0.552624433,-0.709204035,-0.864378125,-0.80615028,-0.775576351
4000,C44 H74 N O9 P,"PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.418964",808.5361,13.418964,0.681526071,0.636773101,0.78374405,0.567281725,0.795486687,0.721795464,0.729869568,0.697615521,0.756431936,0.62744857,0.695932762,0.678594761,0.831549968,0.61126305
4001,C31 H50 N16,C31 H50 N16,646.4383,13.197018,1.198650554,0.984090881,1.38851034,1.150051797,1.166664151,1.031764927,1.279960652,0.945832805,0.777139951,1.14708042,0.913438828,0.986154655,0.847095361,1.009492473
4002,C38 H75 N2 O7 P,"PE-Cer(d16:2(4E,6E)/20:0(2OH))",724.512,14.081037,0.590937321,0.680717475,0.286936772,0.69277526,0.36236163,0.528894783,0.504431457,-0.242996053,-0.302326222,-0.172216202,-0.247526102,-0.239715408,-0.199037615,-0.271337678
4003,C32 H56 O5,C32 H56 O5 Esi+16.08104,520.4145,16.08104,0.979415675,1.118674186,0.650782527,1.060130828,0.844560972,0.907491942,0.963445673,-0.576490762,-0.80944098,-0.298585238,-0.55058538,-0.618936579,-0.583751437,-0.571809537
4004,C15 H8 Cl8 O2,Butter acids Esi+10.972986,516.8365,10.972986,1.417321763,1.402916767,1.442578622,1.430009275,1.336045856,1.466336016,1.397930027,0.774269096,0.81422037,0.726607925,0.806705335,0.699084915,0.849719695,0.725623314
4005,<none>,<none> Esi+9.104986,414.7683,9.104986,0.027093672,0.018331561,0.170831876,0.230163672,0.213137751,0.25755931,0.123707891,-0.159526021,-0.066283352,-0.270762889,-0.29986713,0.008783555,-0.260315576,-0.094543281
4006,C24 H40 O8,C24 H40 O8 Esi+13.06398,456.2728,13.06398,0.458213214,0.633964421,0.061949964,0.465328255,0.258289476,0.465301156,0.323388347,-0.289747577,-0.42259608,-0.131261644,-0.339384512,-0.230667219,-0.374367265,-0.235190147
4007,C25 H35 D5 N2 O6 S,Leukotriene D4-d5,518.3313,12.728023,1.082203482,1.089997001,0.798647825,0.900681911,0.942006412,0.899732949,0.974330446,0.638953149,0.732358833,0.527521806,0.638924485,0.624649629,0.677342032,0.614202421
4008,<none>,<none> Esi+12.456036 :1,442.8,12.456036,1.76640251,1.848035242,1.8059366,1.824916892,1.794523453,1.89217716,1.805030695,0.880463077,0.942409764,0.806561767,0.919418297,0.807224034,0.954791883,0.832540558
4009,C18 O20 S,C18 O20 S Esi+11.399984,567.8707,11.399984,1.598835824,1.64943704,1.590766119,1.643929863,1.574355707,1.652290224,1.614098973,0.924770266,0.991748441,0.844866478,0.959346002,0.850073602,0.98349106,0.886910807
4010,C20 H28 F2 O2,"4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one",338.2065,10.521979,0.078091564,0.084841128,0.25269173,0.052935262,0.145364399,0.091648973,0.120803108,-0.024027882,0.0786824,-0.146559447,0.030808943,-0.107254553,0.096522629,-0.101751238
4011,C33 H58 O10,Antibiotic X 14889C Esi+13.5649605,636.3843,13.5649605,0.329864998,0.078434959,0.713403729,0.307114482,0.386594673,0.279292344,0.4230092,0.360621489,0.135481442,0.629209614,0.320238195,0.409104802,0.232152893,0.443449926
4012,C33 H53 N O6,gamma-Chaconine Esi+8.844977 :1,559.3867,8.844977,0.478170699,0.405785014,0.625143243,0.617948115,0.332053312,0.353062449,0.508996764,-0.309527624,-0.222689893,-0.413123514,-0.335215024,-0.303647598,-0.185024953,-0.389799082
4013,C32 H67 N4 O5 P,C32 H67 N4 O5 P Esi+16.877975,618.4765,16.877975,0.486612884,0.606110894,0.217811272,0.467854987,0.390542794,0.481809983,0.388649174,-0.329106905,-0.538281237,-0.079565596,-0.309216924,-0.357207646,-0.395420848,-0.286351863
4014,C21 H45 O6 P,PA(O-18:0/0:0),446.2755,11.125982,0.893516156,1.1982675,0.288652183,0.967981538,0.746172475,1.034272546,0.741905914,-0.387450978,-0.58744821,-0.148857788,-0.406570892,-0.349918335,-0.479341435,-0.328205814
4015,C30 H66 N2 O2 P S,C30 H66 N2 O2 P S,548.4424,16.256042,1.138982542,1.205779354,0.989863561,1.276803268,0.970361829,1.125453088,1.094701405,-0.900401466,-0.963262358,-0.825409526,-0.904520152,-0.878163988,-0.850142824,-0.932805064
4016,C12 H22 N4 O5 S,Asn Met Ala,334.1321,5.5749936,0.325742183,0.267048365,0.270097647,0.285152681,0.195834361,0.614808,0.040799468,-0.274609154,-0.414319636,-0.107936999,-0.38282045,-0.104705158,-0.718504524,0.011586546
4017,C20 H30 O2,17beta-Hydroxy-4-methylandrost-4-en-3-one,302.224,13.038018,0.898143489,1.096440502,0.36205178,0.890670979,0.680356043,0.820524106,0.804561183,-0.915654794,-1.189177955,-0.589346462,-0.964943342,-0.834810073,-1.038407618,-0.836511526
4018,C51 H97 O12 P,PI(P-20:0/22:1(11Z)) Esi+13.87303,954.643,13.87303,1.114564364,1.00744569,1.325772312,1.169011965,1.020599875,1.319735963,1.032534201,0.736575328,0.727282555,0.747661444,0.790286306,0.634848594,0.895388046,0.634182918
4019,C13 H16 O3,Ethyl 2-benzylacetoacetate,220.1096,9.089996,0.762497032,1.206653238,0.368585841,0.835881053,0.896896214,1.295078221,0.536765223,-0.477954853,-0.635707046,-0.289759255,-0.572788225,-0.35107213,-0.69188502,-0.340026194
4020,C15 H20 N7 O,C15 H20 N7 O,314.1724,9.743005,1.100605663,1.013466844,1.252827162,1.088592944,1.09507802,1.157818802,1.120084578,0.997978204,0.961286346,1.041750947,1.041534436,0.926826612,1.0965066,0.934453317
4021,C14 H22 O5,C14 H22 O5 Esi+7.4520187,270.1464,7.4520187,0.004354377,0.116445835,0.104661568,0.112884547,0.106729236,0.078920787,0.023830367,0.141420256,0.281336124,-0.025496919,0.129387127,0.11915446,0.282947072,0.050172703
4022,C32 H46 O9,Ganoderic acid K,574.309,12.788021,0.600088116,0.687288445,0.328045088,0.503671922,0.577437178,0.517288973,0.555936083,-0.334175621,-0.473258543,-0.168252135,-0.277439487,-0.421050664,-0.362143596,-0.316143637
4023,C19 H16 O5,5-Hydroxywarfarin,323.0924,10.673004,0.202480537,0.086818931,0.412120756,0.088509111,0.294549485,0.156239772,0.285159285,0.391212911,0.269030881,0.536973928,0.429607099,0.34131624,0.386379248,0.394329351
4024,C28 H57 N8 O4,C28 H57 N8 O4 Esi+14.312989,569.4491,14.312989,0.765848656,0.701741823,0.779980344,0.770132581,0.816601213,0.595381879,0.877631746,0.456371335,0.396561448,0.527723481,0.421115115,0.487403812,0.332112291,0.536485719
4025,C48 H83 O9 P,"PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.676021",834.5782,13.676021,0.469487533,0.580191437,0.100624992,0.539563697,0.198366629,0.370409718,0.367959652,-0.147654097,-0.236449971,-0.041722176,-0.146591097,-0.164381178,-0.107504004,-0.17354034
4026,C29 H42 O8,Corchoroside B,538.2637,11.862039,1.146593768,0.912302761,1.353967433,1.111527859,1.174357246,1.119676909,1.12699154,1.150439234,0.963000384,1.374050494,1.15371702,1.130876501,1.139712363,1.157355243
4027,C12 H22 O2,7-Hexyl-2-oxepanone,198.1618,16.218014,1.857478462,1.967940353,1.648689339,1.906891439,1.749661912,1.919654141,1.794628726,-1.198917581,-1.379543054,-0.983434561,-1.232249644,-1.159124032,-1.190984492,-1.204032336
4028,C36 H65 P S,C36 H65 P S,560.4555,16.040028,0.121070575,0.147470037,0.095229524,0.283853815,0.10073029,0.244885204,0.072601991,-0.216323852,-0.282154221,-0.137789377,-0.375499204,0.058111706,-0.369971817,-0.117261348
4029,C28 H54 N O9 P,PS(22:1(11Z)/0:0),578.3444,13.373029,1.012358178,0.818052831,1.281805787,0.917747251,1.07509552,0.915999584,1.046905048,0.818153687,0.682778016,0.979654488,0.816435633,0.829485826,0.73218196,0.873582827
4030,<none>,<none> Esi+14.614991,849.2432,14.614991,1.22033278,1.18373269,1.123405901,1.351970825,0.998057953,1.384879197,1.016500159,1.307272447,1.262248831,1.360984832,1.402590517,1.217135935,1.606196947,1.114544809
4031,C5 H14 N O,Choline Esi+11.406005,103.0996,11.406005,1.069730572,1.017938937,0.892821052,0.971263376,0.90346729,0.981875295,0.938211769,-1.406440145,-1.441022122,-1.365184454,-1.424388924,-1.383935563,-1.517042772,-1.335130557
4032,C14 H9 Br3 O3,Thelepin,478.8318,9.135008,0.797202729,0.832100168,0.759193533,0.98129117,0.507172025,1.054846987,0.615346756,-0.787317615,-0.781755423,-0.793953213,-0.962043231,-0.563868479,-0.931597332,-0.694295166
4033,C22 H45 N8 O,C22 H45 N8 O,437.3707,14.177982,0.803389267,0.983521616,0.485143953,0.734569565,0.761617997,0.771318507,0.755030024,-0.420609181,-0.571240341,-0.240908849,-0.453495052,-0.374775542,-0.501176738,-0.368664308
4034,C21 H33 N3 O4,Ile Phe Ile,391.2473,11.956034,2.33245918,2.22969229,2.339416212,2.334646816,2.354335643,2.287715117,2.331864834,2.572392552,2.463966875,2.701742483,2.524859994,2.661559916,2.487881166,2.626880157
4035,C23 H43 N O5,N-stearoyl glutamic acid,435.2932,7.8590074,0.765101671,0.809889285,0.803504699,0.926472046,0.556150536,0.964722072,0.656408506,-0.660421435,-0.582752122,-0.753079564,-0.828976478,-0.449518821,-0.765849217,-0.59244826
4036,C10 H16 N2 O,Rilmenidine,180.1261,4.5109897,0.18383611,0.273344218,0.132300023,0.263421585,0.041391033,0.447624254,0.25328687,-0.027489876,-0.07725292,0.031876562,-0.03723031,-0.009463819,-0.099927892,0.019213581
4037,C2 H6 Cl O3 P,Ethephon Esi+1.2990015,143.9747,1.2990015,0.243036796,0.364822556,0.182967117,0.235422701,0.115479373,0.256509693,0.100699756,-0.26111659,-0.548558903,0.081797047,-0.302401692,-0.181873916,-0.372642919,-0.189211457
4038,C45 H91 N8 O12,C45 H91 N8 O12 Esi+13.431959,935.6745,13.431959,0.001619055,0.094586739,0.262666902,0.052418123,0.131266689,0.139228285,0.044806851,0.067008149,0.018836621,0.124475937,0.092105343,0.012437415,0.161063672,0.006367088
4039,C27 H25 O18,"Delphinidin 3-O-3'',6''-O-dimalonylglucoside",636.097,12.319014,0.091948199,0.200406478,0.230571255,0.152982074,0.087061511,0.086544224,0.000128622,0.036220217,-0.054634962,0.144608851,0.018472259,0.037267864,0.015113111,0.049828745
4040,C11 H16 O3,Isobutyl 2-furanpropionate,196.1097,6.994012,1.024815093,0.979217939,0.95478322,1.212759464,0.774622794,0.915656487,0.981273039,-0.51518508,-0.49943369,-0.533976211,-0.544573588,-0.486880518,-0.468429026,-0.54533043
4041,C51 H91 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/20:0)",959.645,13.003983,0.417996618,0.400163866,0.260439942,0.436362724,0.162959057,0.26675452,0.414908788,-0.140730514,-0.184793426,-0.088164233,-0.139874637,-0.163717253,-0.092172388,-0.172037727
4042,C19 H39 N O,Palmitoyl N-Isopropylamide,297.3026,15.614991,1.310906711,1.484677072,1.216878461,1.309946808,1.372026553,1.227768688,1.416482473,-0.60648115,-0.670498719,-0.530109312,-0.527984272,-0.693457222,-0.549669576,-0.643109665
4043,C12 H26 N8 O3,Arginyl-Arginine,330.2145,7.719979,0.636607406,0.71680061,0.552154394,0.574803033,0.789314291,0.732136784,0.568789923,0.37002929,0.395284399,0.339900388,0.330971972,0.451728913,0.376565274,0.3658153
4044,C19 H36 N7,C19 H36 N7,362.3023,13.90095,1.277487321,1.330239504,1.230551452,1.403435904,1.258155989,1.130079648,1.432041417,0.815335061,0.834887128,0.792009788,0.837886309,0.76709856,0.661250101,0.914679311
4045,C26 H40 N3 O9,C26 H40 N3 O9,538.2759,12.625982,0.003845621,0.111209706,0.206902087,0.178886087,0.184964551,0.118007524,0.056851824,0.073242668,-0.092122468,0.270520374,0.322643189,-0.239107784,0.161667552,0.016231888
4046,C21 H24 O5,"2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone",378.1476,11.635988,1.877543948,1.932609669,1.929936032,1.889771229,2.086413296,1.929872901,1.975086046,2.460116584,2.349725527,2.591811178,2.31452469,2.676406291,2.325793309,2.546719748
4047,C37 H73 N2 O6 P,"PE-Cer(d16:2(4E,6E)/19:0)",671.5169,14.87598,0.627496724,0.638536984,0.404619486,0.445646021,0.695256343,0.59653485,0.564136993,-0.404236233,-0.501531889,-0.288164222,-0.349453057,-0.485885011,-0.394804728,-0.410317072
4048,C22 H45 N8 O,C22 H45 N8 O Esi+14.177982,437.3705,14.177982,0.49722537,0.687592993,0.118002886,0.404069051,0.467647662,0.424799272,0.44573831,-0.401051013,-0.540628219,-0.234537856,-0.420181131,-0.369217414,-0.418972011,-0.389496686
4049,C28 H41 O7 P S,C28 H41 O7 P S,552.2297,7.2239995,0.802394958,0.650395467,0.901923189,0.728760131,0.750626498,0.717261798,0.793521374,0.647238772,0.593144126,0.711772737,0.661517282,0.61397214,0.636903584,0.653902249
4050,C25 H50 N O4,(R)-Stearoylcarnitine Esi+13.239991,427.3659,13.239991,1.435882979,1.501692134,1.238183607,1.383430289,1.426151383,1.342971095,1.446537324,-1.150521046,-1.3621812,-0.898014195,-1.193073715,-1.119834198,-1.242745884,-1.091060294
4051,C25 H33 D4 N O4,17-phenyl trinor Prostaglandin F2? ethyl amide-d4 Esi+9.656987,419.2977,9.656987,1.001939669,1.052213345,0.980529436,1.298480598,0.677938108,1.060255767,0.87061936,-0.74571775,-0.706590488,-0.792395888,-0.799720562,-0.691699485,-0.645618645,-0.810255331
4052,C15 H13 N O2,5-Hydroxy-2-acetamidofluorene Esi+0.8789987,239.0956,0.8789987,0.008359249,0.247020261,0.264440601,0.091537164,0.169342083,0.23278825,0.140585947,0.028791406,-0.107639714,0.191551338,0.012841943,0.055443095,-0.068492405,0.091513863
4053,C5 H10 N,1-Methylpyrrolinium,106.0631,6.192994,0.972919877,1.05378274,0.585742597,0.964188023,0.855543395,0.789070353,0.946986759,-0.323645598,-0.42491351,-0.202834755,-0.3078363,-0.359285477,-0.271355325,-0.357359063
4054,C36 H54 O12,Medicagenic acid 3-O-b-D-glucuronide Esi+14.166993,678.3603,14.166993,1.269437761,1.031542419,1.652112984,1.322057678,1.304338903,1.192031382,1.321814352,0.95702022,0.785822069,1.161256611,0.945053983,0.969614507,0.861318977,1.018722337
4055,C21 H39 O6 P,CPA(18:1(9Z)) Esi+7.012975,418.2536,7.012975,0.135735946,0.488254535,0.364699726,0.17527952,0.008393242,0.410778593,0.04367979,0.034811881,0.214715193,-0.179809614,0.090773659,-0.065878016,0.194461966,-0.068120411
4056,C42 H34 O25,"3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone",938.1354,13.045973,0.592226781,0.590064295,0.412858035,0.638875676,0.271648461,0.416739706,0.563686589,-0.230664074,-0.290672076,-0.159075579,-0.239716188,-0.239128456,-0.172825742,-0.267954577
4057,C48 H77 N O8 P,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",843.5647,11.732008,0.014241345,0.150113268,0.1980157,0.126758756,0.272980839,0.00797669,0.000536903,0.044207888,-0.030204526,0.132980592,0.024594812,0.038967337,0.052119296,0.039107112
4058,C11 H2 Cl N2 O14 P S5,C11 H2 Cl N2 O14 P S5,611.7534,12.760988,0.631883651,0.679697982,0.381805448,0.642735057,0.40213991,0.592263886,0.544622579,-0.258539565,-0.338860208,-0.162718447,-0.262447861,-0.269158292,-0.288596412,-0.239160809
4059,C34 H66 N O8 P,PE(17:1(9Z)/12:0) Esi+9.996,646.4372,9.996,0.810354436,0.845506496,0.647316927,0.909376192,0.658285894,1.021284379,0.613168011,-0.551101779,-0.605596161,-0.486090938,-0.571914463,-0.519093958,-0.64260221,-0.492108081
4060,C21 H41 N O5,C21 H41 N O5,387.2974,10.118993,0.363841309,0.263505442,0.469752452,0.209847102,0.504513148,0.317600801,0.445441895,0.257453107,0.246518698,0.270497665,0.246724791,0.271145506,0.262274036,0.254344877
4061,C46 H87 N O13,Galalpha1-4Galbeta-Cer(d18:1/16:0),861.6202,15.302982,0.263086931,0.23406726,0.374416639,0.377984726,0.185921183,0.334935549,0.207677547,-0.135770264,-0.081824001,-0.200127208,-0.195355522,-0.08876378,-0.181817683,-0.106081796
4062,C27 H39 N O4,N-(?-Linolenoyl) Tyrosine,441.2888,14.583007,1.65744607,1.720775119,1.666025855,2.004674771,1.426776426,1.908758718,1.524946279,-0.812674609,-0.851120803,-0.766808974,-0.913576533,-0.675712879,-0.829645324,-0.801732963
4063,C28 H42 O9,"14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid Esi+11.281987",522.2803,11.281987,1.7408689,1.597202452,2.037934201,1.746995559,1.852104305,1.811777172,1.805191121,1.964858451,1.818092416,2.139947756,1.942815018,1.986532116,1.983139874,1.953071744
4064,<none>,<none> Esi+13.720965,930.1396,13.720965,0.476642823,0.535664974,0.149605979,0.457327097,0.262096409,0.307064248,0.441903457,-0.179031841,-0.259062394,-0.083556795,-0.154464009,-0.235734396,-0.091571683,-0.235420626
4065,C20 H34 O4,"8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid.",360.2268,13.041993,0.278572272,0.150722355,0.524647835,0.33138975,0.186516796,0.292961727,0.324469398,0.246401106,0.147838843,0.363984155,0.33761604,0.116129685,0.254126294,0.241420392
4066,C50 H83 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",874.5802,13.24397,0.11818479,0.085319275,0.241323093,0.196293887,0.036427864,0.292220365,0.047051155,0.114400706,0.128767016,0.097261949,0.174771387,0.005447988,0.307812321,-0.010298889
4067,C23 H34 N4 O4,Leu Trp Leu Esi+13.861026,447.2833,13.861026,0.740298211,0.950706027,0.382315791,0.636147703,0.79809469,0.819806969,0.694233826,-0.261260258,-0.334881625,-0.173431259,-0.209289349,-0.308889287,-0.280945226,-0.248568634
4068,C18 H28 N7 O,C18 H28 N7 O,358.2314,9.43799,0.386113253,0.387476241,0.329912727,0.287920185,0.460591315,0.208803553,0.447642814,-0.341233905,-0.298738076,-0.391930683,-0.230958666,-0.520724514,-0.16131737,-0.457232724
4069,C33 H54 O8,Asparagoside A,578.3812,15.0949745,0.863903699,0.843001885,0.697622181,0.838138275,0.758922823,0.556952612,0.850825567,-0.489631406,-0.561523003,-0.403865992,-0.419379817,-0.608783763,-0.287852881,-0.619725456
4070,C30 H50 O9,Notoginsenoside R10 Esi+13.02801,576.3294,13.02801,2.071914862,1.858302304,2.169154696,1.919984013,2.149025823,1.87997458,2.135543293,2.829060132,2.653090682,3.038988598,2.710909237,2.984359451,2.704843461,2.909147196
4071,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+11.448983,511.3266,11.448983,1.193783451,1.23085541,1.2224868,1.365562247,1.04343486,1.236800563,1.175068624,-0.911164075,-0.93372904,-0.884244467,-0.947314462,-0.844702038,-0.963500556,-0.877420817
4072,C43 H50 N4 O16,Precorrin 3A,900.305,10.375,0.122445099,0.21320011,0.032585599,0.278334044,0.046475047,0.016874,0.135222398,0.048727383,-0.003099476,0.110555917,0.017129322,0.054804916,0.123228607,0.000693699
4073,C33 H65 N O9 P,PC(16:0/9:0(CHO)) Esi+12.185038,672.417,12.185038,0.766490628,0.657119159,1.021207472,0.481026278,1.26542564,0.592462477,1.010417415,0.525165357,0.493775375,0.562613055,0.40018829,0.692258374,0.4011101,0.605148351
4074,C20 H9 O22 P,C20 H9 O22 P,631.9329,10.441986,1.064162773,1.002700002,1.122315432,1.293975768,0.804535642,0.994487926,1.046585442,-0.528154929,-0.512247114,-0.547132674,-0.561943554,-0.499142641,-0.431135925,-0.590706656
4075,C35 H58 N4 O S,C35 H58 N4 O S,580.4342,13.31299,1.344102778,1.348638048,1.299112835,1.325728266,1.257655747,1.470110367,1.253320828,0.780062836,0.837945276,0.7110101,0.807995434,0.718190365,0.901567632,0.701724217
4076,C31 H53 N8 O3,C31 H53 N8 O3,585.4263,14.243967,0.161538981,0.282402925,0.013869803,0.31881935,0.016569791,0.329576136,0.042387877,-0.134319648,-0.198651832,-0.057572481,-0.19574803,-0.031947814,-0.237907084,-0.067533012
4077,C13 H26 N6 O4,Gly Val Arg Esi+6.7409945,330.2026,6.7409945,0.39057851,0.612338683,0.232944551,0.61630676,0.193728691,0.529202016,0.409786623,0.087726103,0.139405191,0.026073857,0.126354833,0.03037436,0.123131435,0.06489898
4078,C17 H43 N14 O5,C17 H43 N14 O5 Esi+13.218995,523.3616,13.218995,0.265624151,0.389925876,0.28898597,0.444381305,0.173522436,0.388997957,0.314397885,0.177713648,0.179478907,0.175607726,0.223266855,0.098475251,0.190488874,0.16947699
4079,C11 H26 O15 P S3,C11 H26 O15 P S3,525.019,13.128978,1.83673604,1.768656271,2.033523266,1.883535102,1.785703284,1.798754782,1.913734532,0.898442295,0.877410129,0.923533299,0.927999739,0.840965153,0.853726477,0.92727223
4080,C39 H68 N O8 P,"PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+11.395997",708.463,11.395997,1.16071515,1.17374195,1.159813322,1.180719998,1.023240786,1.251795251,1.110119585,0.66267489,0.718902883,0.595595881,0.716231547,0.555677168,0.788078513,0.581822555
4081,C16 H28 O5,Tetranor-PGF1alpha Esi+7.31701,317.2196,7.31701,0.908299212,0.79292667,0.831219311,0.748351755,0.863986748,0.959275852,0.770354889,0.487091382,0.491343778,0.482018347,0.475604085,0.492871449,0.594401402,0.417904658
4082,<none>,<none> Esi+13.014968 :1,821.0612,13.014968,0.095499967,0.194572523,0.180731093,0.14104919,0.106323044,0.027264408,0.011576182,0.021607066,-0.030205314,0.083418326,0.036529453,-0.016914997,0.060869288,-0.003706735
4083,C21 H22 Cl F N4 O2,Halopemide Esi+4.836994,416.1424,4.836994,0.62750837,0.627337187,0.708984962,0.393823933,0.813956656,0.816717033,0.528167564,1.022217494,0.955612127,1.101676528,0.932657629,1.093070045,1.400924445,0.77805117
4084,C12 H10 Cl3 O15 S2,C12 H10 Cl3 O15 S2,562.8534,12.57497,1.918753045,1.964611998,1.639581306,1.9370187,1.671927147,1.738292265,1.916201197,1.348124093,1.455677705,1.21981452,1.402444631,1.255151314,1.28205998,1.39071806
4085,C35 H70 Cl N6 S2,C35 H70 Cl N6 S2,673.4791,13.88402,0.350720438,0.390929671,0.123119397,0.419256571,0.203850665,0.201504886,0.288486984,-0.119678654,-0.139544207,-0.095979397,-0.080546975,-0.187732266,-0.020105543,-0.183877106
4086,C20 H30 O4,"(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid Esi+10.35",334.212,10.35,0.114214693,0.083886501,0.40101867,0.039955183,0.127600714,0.211678667,0.049978317,0.002301525,0.097518954,-0.111291197,0.069922916,-0.053890143,-0.030006525,0.023131715
4087,C7 H16 O3,C7 H16 O3 Esi+4.661008,148.1102,4.661008,0.103061682,0.142771075,0.045500037,0.209140682,0.020212791,0.047130572,0.192704604,0.003988313,-0.050190509,0.068622697,0.014253216,-0.008602947,0.124315424,-0.073591008
4088,C35 H46 O4,(-)-Neolinderatin Esi+11.905024,547.3708,11.905024,0.342884711,0.16106081,0.575650284,0.283485703,0.331065431,0.315834866,0.355770506,0.274808137,0.15447774,0.418360189,0.266194959,0.253212696,0.272255032,0.276454218
4089,C36 H62 N6 O9,C36 H62 N6 O9,722.4599,15.25197,0.052206775,0.062520984,0.070473574,0.107079868,0.085971914,0.082267828,0.061872602,-0.084262987,-0.178566872,0.028239894,-0.128596311,-0.03460514,-0.020760753,-0.125205217
4090,C32 H48 O5,Ganoderic acid X Esi+15.325978,512.3489,15.325978,1.101817755,1.155168483,0.922736971,1.08607416,1.014573601,1.05842336,1.037689923,-0.599553634,-0.640704315,-0.550461593,-0.538167076,-0.693715312,-0.542157505,-0.636559032
4091,C24 H8 N2 O23,C24 H8 N2 O23,691.9518,12.139974,1.757997252,1.689915941,1.725016033,1.811554261,1.591655322,1.773835674,1.709982826,1.303263395,1.322120789,1.280766854,1.372915212,1.180429659,1.399014813,1.241528928
4092,C5 H11 N O2 S,Methionine,149.0508,0.8439985,0.374482544,0.589112401,0.008775218,0.707640409,0.157236784,0.607633418,0.000866852,-0.091894032,-0.222877294,0.064366701,-0.151898062,-0.01363805,-0.262573829,0.018149521
4093,C39 H60 O5,"DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) Esi+15.198978",625.4751,15.198978,2.009508933,2.208216649,1.761492643,2.16348782,1.973802328,2.277217569,1.947843019,-1.775873788,-1.97277755,-1.540971053,-1.78035959,-1.736826342,-1.812311059,-1.752381336
4094,C10 H12 Mo N5 O7 P S3,Molybdenum cofactor (sulfide) Esi+6.788977,554.8475,6.788977,0.945246316,0.72615839,1.098919214,0.623818001,1.218817208,0.691658136,0.998865515,0.690320144,0.463276837,0.961178827,0.486473361,0.964262586,0.475137607,0.829056254
4095,<none>,<none> Esi+10.13101,494.8229,10.13101,0.653848411,0.837022286,0.468961751,0.652810573,0.598175606,0.743958605,0.619839115,0.307109077,0.412209296,0.181726361,0.308903015,0.291559637,0.372218789,0.265130447
4096,C16 H39 N15 O5,C16 H39 N15 O5,521.3241,7.7889724,0.202269784,0.411077061,0.195257825,0.232413499,0.117950937,0.373073352,0.065191728,0.061411474,0.211440583,-0.117570621,0.084361485,0.005896861,0.182561375,-0.01669833
4097,C36 H44 N4 O,Manzamine A Esi+9.149012,547.348,9.149012,0.23789113,0.365582178,0.02296422,0.084759104,0.313913846,0.150687724,0.224351355,0.092906278,0.218667341,-0.057124465,0.026875857,0.152797803,0.120137773,0.075349129
4098,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+14.645997",353.329,14.645997,0.710883956,0.90801009,0.206968768,0.638624239,0.679077816,0.817437175,0.582519597,-0.316141939,-0.466243492,-0.137073418,-0.288259301,-0.370627446,-0.369020569,-0.282049137
4099,C9 H18 N2 O,3-Acrylamidopropyl trimethylammonium Esi+0.8880004,170.1415,0.8880004,0.812147229,0.660294432,1.135263464,0.956004536,0.770569684,0.624275909,1.009794766,0.550548151,0.423439699,0.702186305,0.569216704,0.50804492,0.39768691,0.649103425
4100,C26 H22 O15,Mangiferin 6'-gallate,596.0833,13.863024,0.335437494,0.271970341,0.503264223,0.342178786,0.436031753,0.489091682,0.310024965,0.178581612,0.161753442,0.198657323,0.180497747,0.160380987,0.235359411,0.141974872
4101,C22 H N2 O18 P,C22 H N2 O18 P Esi+11.284002,611.8966,11.284002,1.128468046,1.358654114,0.991213818,1.31656809,1.036599511,1.430829884,1.035682712,0.779963695,0.899005681,0.637948694,0.841388479,0.660009131,0.92810009,0.684454703
4102,C5 H8 O2 S,C5 H8 O2 S Esi+0.8439985,132.0241,0.8439985,0.57727372,0.795305384,0.038557026,0.889689382,0.229013,1.018077926,0.120157473,-0.147840969,-0.297590188,0.030807222,-0.236336968,-0.030030854,-0.36812222,-0.005817531
4103,C42 H74 N O10 P,"PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U] Esi+9.666993",782.499,9.666993,0.504169279,0.760633685,0.148637429,0.527386172,0.3123769,0.738401629,0.339023071,0.262171179,0.421768047,0.071774916,0.330609237,0.146176473,0.434145172,0.15129321
4104,C12 H21 N5 O3,cadralazine,283.1614,4.564007,0.936446387,1.147545633,0.477423443,0.819785036,0.960797074,0.859366249,0.932496911,-0.545326325,-0.70142676,-0.359101245,-0.498929812,-0.577779174,-0.510282326,-0.567920483
4105,C39 H62 O13,Melongoside F Esi+12.829021,738.4174,12.829021,1.006309604,0.854604672,0.887142812,0.815090729,0.994816301,0.674763631,0.986112219,-0.736489117,-0.754459894,-0.715050295,-0.577416578,-0.965128102,-0.57685179,-0.839413183
4106,C44 H78 P S3,C44 H78 P S3,733.4998,11.990983,0.594641663,0.435468455,0.732055672,0.637003512,0.443562257,0.489224666,0.65523833,0.413774451,0.340486035,0.501206245,0.455155855,0.33237839,0.389085122,0.429692571
4107,C26 H55 N15 P,C26 H55 N15 P,608.4547,15.208985,1.203707443,1.423125501,0.848903904,1.205607272,1.194997675,1.265825434,1.090053751,-0.704100377,-0.883398421,-0.490200956,-0.584226884,-0.866408471,-0.680052548,-0.719604899
4108,C18 H5 N5 O16 P S,C18 H5 N5 O16 P S,609.9199,10.47097,1.078461022,1.036241886,1.095520523,1.267941899,0.764361177,0.904747119,1.080813182,-0.545830326,-0.522471729,-0.573696722,-0.591215605,-0.506691334,-0.43319112,-0.618452972
4109,C23 H41 N O5,N-oleoyl glutamic acid Esi+9.979985,411.2971,9.979985,0.055537238,0.035399509,0.140848488,0.074113761,0.005668451,0.119432856,0.026626376,-0.04294549,0.059745948,-0.165454574,0.011952986,-0.122967769,-0.04918073,-0.038925401
4110,C14 H16 N4,Imiquimod Esi+7.5019865,240.1358,7.5019865,0.008123147,0.009885075,0.013250247,0.200649874,0.280031948,0.565770306,0.399475214,0.021755049,-0.020578575,0.072258321,-0.075344952,0.153879035,-0.188476566,0.157299117
4111,C11 H22 N2 O8,Mannopine Esi+7.689974 :1,310.1391,7.689974,1.08981526,0.905057065,1.299610781,0.836282925,1.271300727,1.061865452,1.105568878,-0.454778189,-0.418179666,-0.498439585,-0.415108385,-0.500772808,-0.507919512,-0.42051602
4112,C43 H77 N7 O6 P S2,C43 H77 N7 O6 P S2,882.5085,14.499019,0.098101579,0.128693748,0.075776558,0.148413862,0.142117158,0.302739685,0.03357111,0.247813175,0.275601042,0.214662737,0.218713514,0.263658666,0.389562802,0.156421968
4113,C24 H42 O8,C24 H42 O8 Esi+13.021977,458.289,13.021977,0.012353246,0.053777783,0.324031112,0.021648751,0.133779206,0.120200558,0.12984292,0.176043548,-0.082859125,0.484909896,0.186686452,0.153231181,0.196028415,0.163158568
4114,C10 O15 P S2,C10 O15 P S2,454.8395,13.539006,0.570940859,0.625795993,0.313797013,0.654561182,0.358435718,0.438881876,0.519982879,-0.187386163,-0.225531796,-0.141879091,-0.183508967,-0.203613653,-0.125033749,-0.227587061
4115,C8 H18 N O2,Methacholine Esi+4.7730002,159.1256,4.7730002,0.846155114,0.777379244,0.807805117,0.683952324,0.93964019,0.534499493,0.928925309,0.659605098,0.580168548,0.754371509,0.550584427,0.867726552,0.416085565,0.816611113
4116,C53 H90 N4 O10,C53 H90 N4 O10,942.6642,12.068001,1.727186147,1.785766393,1.525839039,1.82422325,1.458717129,1.762547074,1.590594025,-1.799040106,-1.939220718,-1.631807095,-1.933841364,-1.593578464,-1.912489356,-1.725895194
4117,C36 H51 Cl O4,C36 H51 Cl O4,582.3386,12.525959,1.698357401,1.529169976,1.927763647,1.747179373,1.759263561,1.697991291,1.776259073,1.984965933,1.842377374,2.155071583,1.967114475,1.993575624,1.880741174,2.052163475
4118,C41 H68 O10,Lupeoside,720.4835,13.750981,1.64538498,1.544163222,1.768410452,1.505506957,1.914236595,1.455318045,1.832995081,1.847542699,1.905959094,1.777852965,1.700993646,2.023266116,1.701839895,1.941482665
4119,C28 H50 O2,"24:3(5Z,9Z,17Z)(11Me,15Me,19Me,23Me)",417.3716,13.565977,1.78909109,1.625586842,1.963871028,1.774506065,1.83213053,1.755249385,1.788384496,-1.235126916,-1.304641382,-1.152197378,-1.297325632,-1.138520994,-1.350272483,-1.160888326
4120,C18 H42 N2 O8 S2,C18 H42 N2 O8 S2,478.2383,5.933994,0.197615349,0.105461994,0.535803671,0.081078515,0.355686635,0.064105797,0.361542675,-0.162265715,0.04330408,-0.407506874,-0.056187992,-0.327287732,0.033022609,-0.288175293
4121,C18 H38 N20 O7 P S,C18 H38 N20 O7 P S,709.269,6.3010144,2.021409816,1.914199028,1.944542601,1.889497767,2.08270227,1.856928027,2.041663902,2.127868638,2.253089732,1.97848207,1.995661149,2.297930071,2.113282625,2.137272778
4122,C18 H34 O5,"9S,10S,11R-trihydroxy-12Z-octadecenoic acid Esi+12.853021",330.2403,12.853021,2.418094792,2.295437197,2.562536615,2.377453911,2.534292122,2.186521469,2.537617923,3.749909963,3.558968012,3.977700359,3.519139161,4.086567508,3.427768908,3.957606169
4123,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.077008,511.3268,9.077008,0.695154763,0.734330998,0.596787027,0.782599774,0.499562608,0.590079312,0.681721408,-0.384439898,-0.481259786,-0.268935471,-0.491769413,-0.245007504,-0.414698833,-0.364930849
4124,C18 H5 O21 P,C18 H5 O21 P Esi+10.500982,587.9069,10.500982,1.052141735,1.019381078,1.059128527,1.189742246,0.806499442,0.93745528,1.01003072,-0.561001379,-0.53965269,-0.586469991,-0.588574577,-0.536256501,-0.47510433,-0.616382372
4125,<none>,<none> Esi+14.004955,566.733,14.004955,0.204355367,0.075763414,0.405608002,0.089991571,0.401798595,0.273678697,0.190208692,0.104486526,0.065737307,0.150713664,0.08448651,0.123968816,0.14079109,0.081079636
4126,C28 H45 N3 O3 S,C28 H45 N3 O3 S,502.338,12.82796,0.371640141,0.355668178,0.18021598,0.221061477,0.316487976,0.287852129,0.303480966,-0.325593636,-0.342074924,-0.305931749,-0.284034198,-0.379359954,-0.390680044,-0.283630031
4127,C23 H34 N7 O3,C23 H34 N7 O3 Esi+10.982004,456.2718,10.982004,1.275107878,1.204750368,1.458759182,1.212389814,1.353771511,1.278228389,1.324804466,1.336590889,1.34225491,1.329833812,1.350106575,1.277453731,1.386286639,1.304550209
4128,C48 H74 O14,Ivermectin B1a Esi+13.038023,896.4892,13.038023,1.170639702,0.806261044,1.681502961,1.189309197,1.20776557,1.035076311,1.285998946,0.567373122,0.42650229,0.735429552,0.592839619,0.533417933,0.518931276,0.598605364
4129,C19 H36 O5,"12,13-dihydroxy-11-methoxy-9-octadecenoic acid",344.2556,12.186019,1.25232781,1.218110633,1.23313615,1.228257876,1.296497744,1.108333744,1.292493436,-0.602374737,-0.619185763,-0.582319477,-0.542149276,-0.689379754,-0.577599521,-0.618348231
4130,C36 H10 O16 P,C36 H10 O16 P,728.9698,11.534006,1.450517039,1.381520121,1.452170861,1.510013254,1.265140341,1.407555139,1.418290354,0.805940182,0.849551263,0.753912927,0.843356079,0.724866221,0.863996851,0.768508908
4131,C25 H32 O7,"17,18-dehydro-clavulone I Esi+12.697999",466.1972,12.697999,1.858324374,1.551468309,2.245067923,1.785050231,2.011280927,1.800214797,1.938921417,1.64350454,1.393796932,1.941401336,1.53401028,1.801615494,1.529970427,1.716704166
4132,<none>,<none> Esi+13.041014 :1,447.8314,13.041014,0.652959683,0.74827254,0.497795786,0.871036855,0.390273381,0.738656388,0.51854276,-0.232909507,-0.245076145,-0.218394921,-0.246741718,-0.224589881,-0.231105153,-0.234072841
4133,C19 H5 N2 O17 P S,C19 H5 N2 O17 P S,595.9045,9.603021,0.967722895,0.899879968,0.980607418,1.169807703,0.630981654,0.909118712,0.866891514,-0.507341252,-0.461335093,-0.562225793,-0.564599208,-0.446803622,-0.436711105,-0.55287911
4134,C13 H25 N O2,C13 H25 N O2 Esi+9.162002 :1,227.1883,9.162002,0.199938222,0.250742646,0.124701274,0.133700252,0.100939641,0.447308075,0.033853244,-0.144317442,-0.106013637,-0.19001321,-0.190261418,-0.077078488,-0.316041623,-0.033600537
4135,C32 H69 N14 O5 S,C32 H69 N14 O5 S,761.5296,13.559022,0.514963489,0.638914453,0.161510646,0.630276873,0.242368714,0.464817453,0.437445179,-0.236510851,-0.327753243,-0.127660277,-0.249252203,-0.232967559,-0.222498324,-0.245545243
4136,C32 H46 N14 O9,C32 H46 N14 O9,770.3562,5.3120084,1.414021942,1.493474338,1.209471471,1.2995715,1.525850458,1.238003403,1.455844657,1.528678021,1.609447571,1.432321364,1.51235471,1.608303362,1.39910586,1.612217966
4137,C17 H38 N19 O3,C17 H38 N19 O3,556.3419,11.094976,0.523448425,0.841568216,0.18788639,0.607754133,0.301651872,0.630997303,0.362531779,-0.189180961,-0.378692178,0.036902595,-0.217483641,-0.145679595,-0.272441723,-0.13549968
4138,C45 H78 O11 P,C45 H78 O11 P,825.5301,12.977033,0.313435576,0.040730122,0.803332122,0.430630005,0.168320482,0.30762805,0.360285453,0.214459228,0.088715984,0.364468714,0.269986337,0.115031529,0.210908624,0.216748434
4139,<none>,<none> Esi+14.236027,776.0478,14.236027,0.783801714,0.985964886,0.525574393,0.865413037,0.609016788,0.778846641,0.757164247,-0.468281654,-0.56749041,-0.349927348,-0.547483081,-0.367768071,-0.403114838,-0.510297101
4140,C13 H22 O5,C13 H22 O5 Esi+6.984007,258.1469,6.984007,0.037400288,0.119900253,0.186502373,0.112112305,0.117538838,0.055858432,0.018810627,0.006035222,-0.078676497,0.107094817,-0.039922173,0.055545112,0.02298138,-0.00489059
4141,C29 H46 N O4,Cervonyl carnitine Esi+8.772977,471.3369,8.772977,0.645999744,0.787608897,0.441827615,0.784346126,0.40452192,0.637234466,0.625790182,-0.556481232,-0.590084347,-0.516393305,-0.67097682,-0.438552318,-0.611587915,-0.520951923
4142,C20 H28 O3,ent-8-deoxy-J2-IsoP Esi+4.616011,316.1997,4.616011,0.595253127,0.689137862,0.231011677,0.64525354,0.425643636,0.650556464,0.423647824,0.309778627,0.439067903,0.155538789,0.381101171,0.213328345,0.457682837,0.214419334
4143,C17 H32 N6 O4,Pro Ile Arg,384.2509,13.621023,1.554402879,1.204643103,1.958027252,1.372163663,1.807465989,1.410652543,1.674367537,1.642115248,1.392964962,1.939347168,1.513009561,1.825680887,1.488736445,1.741004213
4144,C35 H74 N O6 P,PE-NMe2(O-14:0/O-14:0),657.502,13.727033,0.038956643,0.020950446,0.212561116,0.050701046,0.116338723,0.371779601,0.042745238,0.054797742,0.036992186,0.076039457,0.077391393,0.005122733,0.21286961,-0.047117015
4145,C42 H73 O10 P,"PG(16:0/20:5(5Z,8Z,11Z,14Z,17Z))",768.5019,14.268011,1.417258403,1.459683372,1.122042198,1.438360502,1.219130072,1.334365764,1.351566958,-1.029219574,-1.194754318,-0.831739529,-1.0292365,-1.036530927,-1.045079918,-1.018993826
4146,C27 H47 N7 O6,JSTX-3 Esi+7.8699956 :1,564.3512,7.8699956,0.194687515,0.167101182,0.282773884,0.122797529,0.218708149,0.108669646,0.2101675,-0.169895309,-0.088426447,-0.267086232,-0.198586849,-0.158642817,-0.123315883,-0.19992678
4147,C18 H37 N7 O4,Lys Arg Leu,414.2802,11.90202,1.532124967,1.567141813,1.443435735,1.609231491,1.339671203,1.558867197,1.538544018,0.810902124,0.882541997,0.725437013,0.878252102,0.693168059,0.873438532,0.770582598
4148,C35 H63 N O10,C35 H63 N O10,657.4483,15.298032,0.989974931,0.975177555,0.88919306,0.966215018,0.890909257,0.806383345,0.997534903,-0.808092892,-0.849664493,-0.758498701,-0.724472291,-0.922970412,-0.645026525,-0.913227786
4149,C19 H40 O6,C19 H40 O6,364.2798,12.035979,0.477929635,0.295599293,0.649248591,0.231177318,0.610900887,0.163104442,0.625642606,0.440251829,0.341062734,0.558582679,0.401166405,0.491910754,0.337409676,0.506557954
4150,C16 H18 O5,5-O-Methylvisamminol,312.0981,8.816015,0.365417814,0.147101136,0.59365952,0.224093378,0.539552301,0.300426459,0.362946765,0.249770021,0.120907736,0.403500465,0.170588408,0.3748934,0.195531933,0.284739314
4151,C18 H O18 S2,C18 H O18 S2,568.8596,9.162995,0.113666746,0.231168948,0.027168378,0.046746247,0.333346109,0.112169433,0.206487657,-0.091569011,0.031267194,-0.23811045,-0.262770327,0.121171771,-0.266502831,0.021217267
4152,C32 H63 N2 O7 P,"PE-Cer(d14:2(4E,6E)/16:0(2OH)) Esi+8.488014",617.434,8.488014,0.861045367,0.80656519,0.925957019,1.078309714,0.541072318,0.897760255,0.750433785,-0.527017021,-0.459618962,-0.607421724,-0.591394417,-0.453688579,-0.436640957,-0.585285799
4153,C10 H9 N O,N-Hydroxy-1-aminonaphthalene Esi+2.049995,159.0682,2.049995,1.00086983,1.204589605,0.561799007,0.872658778,0.905465735,0.969939808,0.887958263,0.705735173,0.874721552,0.504137388,0.652619738,0.791913377,0.75130598,0.676353995
4154,C18 H39 N O,Spisulosine Esi+11.981997,285.3025,11.981997,0.434306555,0.308995831,0.498804297,0.234759586,0.504152037,0.553389716,0.306042142,-0.090626413,-0.069728534,-0.115557216,-0.05601148,-0.12454346,-0.138238292,-0.05992928
4155,C23 H44 Cl N5,C23 H44 Cl N5,425.334,11.3090105,0.674270023,0.610104992,0.654858025,0.604936454,0.657164927,0.510409591,0.691536379,-0.360949708,-0.321463376,-0.408056208,-0.300102523,-0.473423166,-0.256595174,-0.42823092
4156,C11 H14 O2,p-Tolyl isobutyrate,178.0991,10.281005,1.184044477,1.476787293,0.694810855,1.102479643,1.423781594,1.493507732,1.068926684,-0.461312942,-0.595966125,-0.300674058,-0.420344725,-0.512671977,-0.501656268,-0.435302114
4157,C33 H54 N6 O11,C33 H54 N6 O11 Esi+12.829024,710.3851,12.829024,0.6356552,0.391735784,0.999212205,0.723272208,0.558568955,0.665464425,0.638781246,0.498382009,0.358353316,0.665433784,0.550139025,0.413422594,0.516211169,0.486886894
4158,C25 H44 N6 O6,C25 H44 N6 O6,524.3318,12.666014,2.456704976,2.311095321,2.613481109,2.427048295,2.579751999,2.31646342,2.571401415,3.386541584,3.175582132,3.638212509,3.253122238,3.551711872,3.185646584,3.516065992
4159,<none>,<none> Esi+12.475021,593.7247,12.475021,1.145743579,1.127682889,1.182044702,1.168493355,1.055701063,1.103549531,1.215401077,0.811753793,0.860396016,0.753724474,0.874852519,0.702097662,0.849272856,0.787563871
4160,C7 H13 N O,1-(1-Pyrrolidinyl)-2-propanone Esi+5.012001 :1,127.0997,5.012001,1.376806324,1.597030242,1.08039701,1.632805207,1.264597642,1.661715621,1.255953282,-0.809137971,-1.063591738,-0.50557909,-0.860095124,-0.731110381,-0.884972107,-0.76024491
4161,C15 H32 O6,C15 H32 O6 Esi+7.7359867,308.2196,7.7359867,0.922637619,0.830390249,0.945193934,0.790099706,0.987719239,0.768309819,0.983112368,-0.614190158,-0.582177962,-0.652380146,-0.562979292,-0.714331808,-0.51199044,-0.680082082
4162,C38 H45 N5 O5,Scutianine F,668.3752,13.0890255,2.425344167,2.288876043,2.579973673,2.471092902,2.431936116,2.321650995,2.49053314,2.90707148,2.757356066,3.085679341,2.854974642,2.957316457,2.765874418,2.998106427
4163,C37 H50 N2 S,C37 H50 N2 S,554.3699,13.040023,1.442714261,1.394716512,1.285434913,1.384494285,1.324749034,1.407563225,1.35729796,1.437400682,1.495031157,1.368648537,1.449882432,1.408563469,1.574209745,1.349194839
4164,C42 H52 N20 O,C42 H52 N20 O,852.4632,13.06299,0.946084814,0.626649111,1.545394053,0.984496324,0.994673856,0.823209629,1.094933893,0.505636071,0.366109029,0.672089384,0.531876235,0.471311164,0.447765723,0.542947216
4165,C14 H27 N3 O2,C14 H27 N3 O2,269.2084,8.444983,0.14489676,0.089665006,0.106914104,0.080203453,0.034739643,0.122360722,0.113304407,-0.027280245,0.014451545,-0.077065538,-0.0037204,-0.015507333,0.024370676,-0.060581497
4166,C31 H57 N O8,C31 H57 N O8,571.4089,14.829034,1.09604234,0.916048571,1.225344973,1.107718914,0.964234207,1.138042527,1.024447698,0.800736224,0.748046597,0.863594024,0.861189295,0.725147814,0.867281808,0.757831834
4167,C14 H24 O2,"14:2(6,9)",224.1773,16.814959,0.860750984,0.822867338,0.810370961,0.859678525,0.752671626,0.770703202,0.831775598,-0.521771216,-0.58358645,-0.448026726,-0.535823919,-0.491616968,-0.490086736,-0.542199367
4168,C50 H97 O13 P,PI(22:0/19:0),958.657,13.976017,0.970429413,0.981595841,0.810778204,1.008048171,0.66066229,0.857229745,0.937904183,-0.424019,-0.501525621,-0.331554962,-0.412682784,-0.463728631,-0.372059347,-0.457519303
4169,C26 H22 O6,Stypandrol,452.124,11.217022,1.505850527,1.516457043,1.770394106,1.574647479,1.744173863,1.781572822,1.543743962,1.477902975,1.264326241,1.73269627,1.418033947,1.597892671,1.378875416,1.54174969
4170,C26 H42 N6 O3,C26 H42 N6 O3,486.3332,14.591012,0.679322264,0.749738525,0.433757033,0.570173162,0.713270064,0.380918965,0.728828582,-0.255948047,-0.33133637,-0.166011101,-0.11886764,-0.461367694,-0.07138778,-0.374940851
4171,C28 H41 N O2,N-(2-phenoxy-ethyl) arachidonoyl amine,423.3169,10.697017,0.620889651,0.685775734,0.454726259,0.658388762,0.515993568,0.419106565,0.678633613,-0.285137732,-0.329112891,-0.232676139,-0.234158289,-0.374724098,-0.161851897,-0.364624652
4172,C22 H26 O7,Clusin Esi+9.732993,424.1513,9.732993,1.186252951,1.128409085,1.28803165,1.060054877,1.413459125,1.294545512,1.161238308,1.082067753,0.982118433,1.201305537,0.977356134,1.237046996,1.087334292,1.078672221
4173,C26 H11 F5 O7 S,Pentafluorobenzenesulfonyl fluorescein,579.0487,12.54802,1.74997189,1.697312793,1.808433251,1.749502866,1.728517571,1.74477798,1.772842401,0.924658088,0.956323264,0.886882088,0.953517883,0.864986814,0.961753498,0.900741311
4174,C18 H32 O3,12(13)-EpOME Esi+15.125,296.2348,15.125,1.500722413,1.598304449,1.267039557,1.554104734,1.334649,1.502629403,1.420065379,-1.321381993,-1.586497965,-1.005103289,-1.346723143,-1.284586646,-1.4014951,-1.269730122
4175,C9 H20 N O2,"(2S,4R,5S)-Muscarine Esi+3.3029943",173.1406,3.3029943,1.583340586,1.53567078,1.778039605,1.550666488,1.7729703,1.652866747,1.601538016,1.289201511,1.151527807,1.453443824,1.260622912,1.370330424,1.312166537,1.274395113
4176,C29 H46 N O4,Cervonyl carnitine Esi+8.766001,471.3361,8.766001,0.308394299,0.338464019,0.258156839,0.499488827,0.041363702,0.410111449,0.200487762,-0.165793258,-0.109659637,-0.232759683,-0.249747869,-0.076798092,-0.203906102,-0.141220504
4177,C11 H20 N2 O3,1-L-Leucyl-L-Proline,250.1272,4.794999,0.190119156,0.095516721,0.504898262,0.251714062,0.00314104,0.145818047,0.202853418,-0.067705768,0.046283699,-0.203693203,-0.092502571,0.007259826,-0.001121734,-0.110634948
4178,C37 H67 N O10,C37 H67 N O10 Esi+16.128965,685.4836,16.128965,0.700221863,0.759435904,0.414753137,0.576315704,0.631242518,0.4756926,0.710255158,-0.343056374,-0.470590893,-0.190909931,-0.269692009,-0.422755703,-0.262402862,-0.395056665
4179,C24 H50 N3 P S2,C24 H50 N3 P S2,475.3184,11.060036,0.3002253,0.191026718,0.514533791,0.17258647,0.439880865,0.271761507,0.398912168,0.168811551,0.142779012,0.199867913,0.155649839,0.159222507,0.189372208,0.155555338
4180,C16 H32 N6 O5,Lys Lys Asn Esi+8.701015,388.2437,8.701015,0.870846581,0.87634803,0.789913259,0.606145108,1.082577636,0.744962122,0.819456297,0.487424679,0.507840624,0.463068815,0.308492416,0.716420106,0.437954446,0.51931996
4181,C24 H42 N6 O6,C24 H42 N6 O6,510.3174,12.663972,2.44196396,2.279146485,2.578713015,2.357092671,2.580433066,2.315028559,2.522819437,5.625750487,5.271325388,6.048573412,5.287776017,6.067584296,5.264466091,5.858683847
4182,C11 H18 N3 O6,C11 H18 N3 O6,288.1189,4.468995,0.235265018,0.105418982,0.375449227,0.373713085,0.182152518,0.35527192,0.110752965,0.144422839,0.050243216,0.256777476,0.179976158,0.10438243,0.198025248,0.109863391
4183,C49 H93 O12 P,PI(P-20:0/20:1(11Z)) Esi+15.154036,903.6277,15.154036,1.044468402,1.045084678,0.908882546,1.071587984,0.876532433,0.882423193,1.070752379,-0.928445581,-1.017409869,-0.822312745,-0.888274644,-0.97005188,-0.76836207,-1.031657318
4184,C18 H22 N6 O4,C18 H22 N6 O4,386.1795,10.236002,1.467935692,1.34975908,1.740063455,1.521287612,1.693850427,1.624138307,1.564466757,1.033243573,0.946069752,1.137240412,0.938024468,1.187565468,0.981446101,1.066639312
4185,C21 H40 N4 O12,Saccharocin,557.2879,12.066981,1.294926579,1.317538315,1.301480394,1.412936332,1.089026204,1.305867824,1.241109005,-1.305510876,-1.372933849,-1.225076452,-1.540813514,-0.98706265,-1.516292667,-1.16961209
4186,C45 H76 N O7 P,"PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",397.7588,7.417994,0.01181942,0.137934532,0.323730244,0.154171626,0.026168665,0.18369074,0.190948599,-0.045143504,0.077802961,-0.19181648,-0.056891338,-0.050673429,0.09868889,-0.137877548
4187,C18 H20 O7,Machaerol C,348.122,7.1800194,0.975334954,1.112255524,0.63696311,0.998165052,0.943254897,1.080200283,0.848631834,-0.729466997,-0.866041922,-0.566535507,-0.754274015,-0.672230572,-0.904548606,-0.616585432
4188,C12 H14 N2,1-Phenyl-5-propyl-1H-pyrazole,203.1417,5.8780107,0.277401814,0.365043971,0.000971656,0.237205644,0.218435189,0.307759978,0.168473852,-0.181008783,-0.252886998,-0.095259334,-0.178936355,-0.195502808,-0.231416406,-0.148509132
4189,C35 H52 O3,Ginsenoyne A linoleate,537.4239,15.260009,1.953470038,2.082192673,2.048920626,2.161286162,2.06009541,2.410708569,1.952387178,-1.52923988,-1.645515963,-1.390524552,-1.448019542,-1.63960228,-1.426301572,-1.595607999
4190,C15 H28 O,7-Ethyl-4-tridecen-6-one,241.2402,9.868994,1.776755824,1.952837933,1.668911336,1.787349122,1.919823712,1.940889773,1.792456438,-0.889911808,-0.977912636,-0.784928363,-0.869478525,-0.920230435,-0.914001606,-0.874380227
4191,C23 H6 N2 O23,C23 H6 N2 O23,677.9356,11.178975,1.429822038,1.420692859,1.390866949,1.504835307,1.219344134,1.470339476,1.369845765,0.924545936,1.007332848,0.825782604,0.999201167,0.781411279,1.029564603,0.856836533
4192,C29 H38 F3 N3 O2 S,Fluphenazine enanthate Esi+12.332015,566.2855,12.332015,1.386482825,1.236169344,1.618966899,1.371687143,1.426896886,1.4438959,1.394615221,1.052005844,0.946051011,1.178408102,1.047054949,1.052489733,1.06202515,1.045546029
4193,C28 H44 O3 S,"(6S)-vitamin D2 6,19-sulfur dioxide adduct / (6S)-ergocalciferol 6,19-sulfur dioxide adduct",460.3002,10.236005,0.05696881,0.132448872,0.174330541,0.263585811,0.311642168,0.032069978,0.056174594,0.010015592,0.116913663,-0.117511932,0.186529714,-0.262229526,0.093859866,-0.0440419
4194,C21 H26 F2 O5,Fluticasone 17-carboxylic acid Esi+9.188988,396.1761,9.188988,0.814877796,0.783253016,0.759117284,0.760154635,0.781945014,0.504405818,0.89859412,-0.816654029,-0.845272884,-0.782512238,-0.735202826,-0.949416229,-0.621309837,-0.942599627
4195,C25 H39 N O6 S,N-acetyl-LTE4,498.281,5.060004,0.754701966,0.587250611,0.831907086,0.690961961,0.64618547,0.680021197,0.680425242,0.544816159,0.510491323,0.585765086,0.495258545,0.595548408,0.531321912,0.553516397
4196,C26 H50 O6,C26 H50 O6,458.3589,14.041014,1.150486313,1.05794856,1.004126378,1.034198164,1.038940718,0.867456052,1.148740402,-0.881076681,-0.975252209,-0.768726929,-0.790303919,-1.014167899,-0.737630819,-0.973561514
4197,C18 H37 N O,Stearamide Esi+10.618985,283.2872,10.618985,0.612671501,0.890571939,0.129328148,0.73305351,0.532915936,0.8455751,0.436114872,-0.146265446,-0.239238748,-0.035349929,-0.132106447,-0.162107828,-0.204142954,-0.108949685
4198,C31 H57 N21 O P,C31 H57 N21 O P,770.484,13.783993,0.353348585,0.652330273,0.05954803,0.415974218,0.247073673,0.412333073,0.258065053,-0.151197252,-0.422740831,0.172749473,-0.145029748,-0.176074977,-0.210526347,-0.112945599
4199,C25 H52 N O7 P,PE(20:0/0:0),531.3244,6.543983,0.872199222,0.745820469,1.013495166,0.843979137,0.85807977,0.582195734,0.972318474,-0.578913338,-0.442967685,-0.741094117,-0.530797787,-0.659220427,-0.358656118,-0.720921282
4200,C15 H22 N9,C15 H22 N9,328.1974,4.8499894,0.463912461,0.513099746,0.35351141,0.413356486,0.540317567,0.222752689,0.573806035,-0.413991122,-0.394893177,-0.436774635,-0.315332262,-0.544133308,-0.213988197,-0.542940376
4201,C12 H4 Cl3 N2 O P S4,C12 H4 Cl3 N2 O P S4,455.8008,8.30398,0.484870469,0.359825056,0.661262677,0.629396475,0.265129465,0.376495365,0.481738644,-0.26428493,-0.167730052,-0.379473207,-0.303013807,-0.22495324,-0.162773773,-0.329732913
4202,C33 H68 N9 O2 P S,C33 H68 N9 O2 P S,685.4935,14.279036,0.118309934,0.383437744,0.370679475,0.012340133,0.072160201,0.256057139,0.038456899,0.009751013,-0.125998587,0.171697904,0.029331793,-0.027612481,-0.050774518,0.048774053
4203,C27 H52 N2 O P S2,C27 H52 N2 O P S2,514.3598,11.102029,0.065097838,0.32637448,0.178201274,0.158099785,0.029395438,0.222839833,0.047177823,-0.033741525,-0.145852993,0.100005489,-0.005988594,-0.085757061,-0.098212301,0.007825159
4204,C11 H21 N O3,Ethyl 3-(N-butylacetamido)propionate,215.1517,6.5109887,0.030368699,0.125531202,0.046540729,0.129393017,0.028761643,0.081466178,0.085606491,-0.025724607,-0.070264805,0.027411069,-0.051390495,-0.000130515,0.054645613,-0.077542248
4205,C11 H2 O17 P S2,C11 H2 O17 P S2,500.8446,9.145014,0.646417336,0.675902595,0.636816143,0.876030186,0.307041884,0.988625907,0.403589292,-0.72911338,-0.710041125,-0.751866246,-0.920060603,-0.484497894,-0.926741958,-0.601694955
4206,C13 H28 O6,C13 H28 O6 Esi+5.4449916,280.1886,5.4449916,0.287574208,0.104665781,0.533435152,0.169877979,0.485029526,0.314415414,0.283087729,-0.151268132,-0.047383221,-0.275201009,-0.07792671,-0.288108441,-0.124391134,-0.168596723
4207,C16 H39 N15 O6,C16 H39 N15 O6,537.3197,6.7939816,0.954649303,0.931955734,0.876953898,0.716305916,0.957474561,0.87651395,0.910565186,0.391570068,0.377984089,0.407777902,0.324438504,0.46852228,0.388181181,0.393755008
4208,C28 H33 N12 O P,C28 H33 N12 O P Esi+16.260988,580.232,16.260988,0.623414365,0.612711826,0.618791225,0.852190016,0.372521497,0.636198882,0.561392226,-0.382197257,-0.316329782,-0.460775999,-0.546865112,-0.171423888,-0.321903182,-0.421071068
4209,C16 H29 N O5,Butoctamide hydrogen succinate Esi+4.505004 :1,313.198,4.505004,1.348263167,1.477560204,1.387893272,1.325058779,1.518999309,1.455129167,1.426404998,1.162259818,1.062331422,1.28147264,1.13957613,1.226925794,1.128621226,1.183947857
4210,C26 H43 O9 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",530.2685,14.394028,1.37156788,1.28427039,1.161191539,1.267247789,1.406129549,1.080606013,1.399707259,-0.713909986,-0.788620356,-0.624781826,-0.616457474,-0.848665387,-0.607657056,-0.782415165
4211,C29 H63 N P S2,C29 H63 N P S2 Esi+16.349052,520.4154,16.349052,0.593904126,0.706657292,0.217293655,0.578568308,0.425130816,0.289231017,0.659159533,-0.484001736,-0.665018256,-0.268052203,-0.469582939,-0.511805479,-0.256784298,-0.630497189
4212,C27 H36 F2 O6,Flumethasone pivalate Esi+10.770014,494.2487,10.770014,1.803968,1.816552835,1.828096328,1.886195865,1.769900489,1.897178424,1.794946625,1.751178954,1.682500704,1.833110902,1.760081015,1.720656742,1.749529034,1.752242719
4213,C7 H9 N O2,"5-Acetyl-2,4-dimethyloxazole Esi+6.349987",139.0609,6.349987,0.496821652,0.531534994,0.515377699,0.510163346,0.611981479,0.471897922,0.589106222,-0.414179666,-0.492215422,-0.321084378,-0.415110956,-0.388165613,-0.473759328,-0.375766462
4214,C9 H8 I2 O4,"3-(3,5-Diiodo-4-hydroxyphenyl)lactate Esi+11.725018",455.8292,11.725018,0.376217939,0.469871885,0.106227488,0.508985217,0.146740371,0.298668191,0.286326598,-0.132108191,-0.180637169,-0.074213972,-0.128911509,-0.157457988,-0.074662819,-0.169145339
4215,C34 H30 N13 O3,C34 H30 N13 O3,668.258,5.5749974,0.394043554,0.316608966,0.353953882,0.23262413,0.379797542,0.55198017,0.19683809,-0.375632429,-0.517242121,-0.20669455,-0.405114487,-0.298496694,-0.706706616,-0.162176702
4216,C45 H73 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Esi+12.760988",772.5101,12.760988,0.389163999,0.517681274,0.198675431,0.379638851,0.414050126,0.703319971,0.213218848,0.285395395,0.450242849,0.088735274,0.262815041,0.302472003,0.541099455,0.120533567
4217,C29 H48 O2,"4a-Hydroxymethyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol",428.3654,16.325985,0.528961702,0.467698877,0.550349214,0.61749747,0.364965381,0.640708003,0.368776289,-0.632742386,-0.646585401,-0.616227912,-0.827044244,-0.406343769,-1.000733249,-0.395485119
4218,C42 H13 O6,C42 H13 O6,612.0881,12.76398,0.278573595,0.195295395,0.462303013,0.281244224,0.329954258,0.224666589,0.411556305,0.184188407,0.135945732,0.241741072,0.168084958,0.209929194,0.127969414,0.220434863
4219,C27 H44 N O7 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi+5.3890023",524.2801,5.3890023,0.753259112,0.684692197,0.569815532,0.921218119,0.529400281,0.86123574,0.527286086,0.615723142,0.686011648,0.531870188,0.713049579,0.532635676,0.726124809,0.54454312
4220,C44 H81 O12 P,"PI(P-18:0/17:2(9Z,12Z))",831.5367,14.550032,1.335143831,1.421059381,0.964093781,1.305937125,1.215728053,1.048188324,1.402773816,-0.92223625,-1.102265748,-0.707464218,-0.878799948,-0.987006648,-0.787803286,-1.008910135
4221,C17 H34 N8 O5,Arg Lys Gln,429.2566,5.7340064,1.113323038,0.92983163,1.356730477,1.063170698,1.158403809,0.837957738,1.244532141,-0.711972234,-0.528438644,-0.930924587,-0.619535842,-0.858640238,-0.45424084,-0.878141159
4222,C16 H31 N O,Palmitoleamide,270.2662,9.363016,0.359799098,0.44056412,0.206632204,0.436853804,0.153171807,0.650690879,0.122982391,-0.147982217,-0.175045172,-0.115696587,-0.192100146,-0.079506542,-0.308764679,-0.04431984
4223,C27 H36 O4,Stypoltrione,446.2432,14.574967,0.868410674,0.960278232,0.571601182,0.882266439,0.707076666,0.828889441,0.785161194,0.348401612,0.452323567,0.224424542,0.324041847,0.397252828,0.332891044,0.358401846
4224,<none>,<none> Esi+10.48299,487.8158,10.48299,1.280493447,1.285363876,1.213811982,1.246921242,1.190827464,1.236029906,1.239757388,0.670542255,0.736994281,0.591266154,0.672514643,0.633878222,0.705523827,0.647988346
4225,C17 H28 N6 O5,His Ile Gln Esi+9.900001,396.2118,9.900001,0.187182053,0.281904307,0.01828123,0.271799931,0.094266039,0.282602225,0.024417557,-0.066040088,-0.217212309,0.11430572,-0.093728134,-0.041473859,-0.226952577,0.037706123
4226,C30 H68 N23 O4 P,C30 H68 N23 O4 P,845.5553,12.974045,0.777909232,0.516874372,1.05920974,0.611268187,0.924605967,0.657515818,0.869249316,0.404373112,0.308815623,0.51837152,0.367652112,0.437237354,0.364785613,0.429896631
4227,C26 H52 N4 O2 S,C26 H52 N4 O2 S,484.3755,14.217026,1.16995799,1.223505014,0.982772178,1.039673135,1.156101198,1.115736901,1.095626552,-0.909881512,-1.054522406,-0.737327462,-0.844678387,-1.009170346,-0.94263869,-0.888761752
4228,C32 H63 N7 O4,C32 H63 N7 O4,607.4641,15.363024,1.416965527,1.548346744,1.294621779,1.540267422,1.332517748,1.635260174,1.245373877,-0.879039096,-1.009121764,-0.723852755,-0.912335235,-0.837716654,-0.963507742,-0.824579048
4229,C20 H32 O3,"5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S Esi+12.451981",320.2336,12.451981,1.064102924,1.130272312,1.063034,1.097604709,1.147881186,1.279411806,1.155817717,-1.007971874,-1.15766638,-0.829388955,-0.985048896,-0.998278222,-1.091126892,-0.954358771
4230,C24 H44 O7,2-Stearyl citrate Esi+14.019028,466.291,14.019028,1.974113545,1.74097604,2.208978567,1.848353003,2.155089898,1.79484343,2.101792531,1.871129873,1.678537723,2.100888929,1.73224639,2.06031354,1.716698876,1.970697226
4231,C17 H8 Cl2 F8 N2 O3,Lufenuron,508.97,7.3110056,1.174109657,1.098894113,1.003710688,1.030400086,1.212881966,1.278448468,1.008790287,0.610325715,0.656493966,0.555247801,0.540226233,0.703810203,0.663859924,0.575810238
4232,C16 H32 N6 O5,Lys Lys Asn Esi+7.5770187,388.2434,7.5770187,0.115084056,0.442685743,0.232804597,0.451372182,0.248011179,0.468929737,0.099827457,0.020589036,0.104764056,-0.079830286,0.068806917,-0.053635033,0.098607384,-0.029712267
4233,C28 H61 N7 O4 P,C28 H61 N7 O4 P,586.4248,16.25098,0.640961118,0.579785155,0.543733341,0.519945315,0.605026231,0.530112505,0.56936353,-0.4444422,-0.493966489,-0.385360593,-0.333357148,-0.547490842,-0.425811783,-0.456453917
4234,C40 H75 N O8 P,"PC(14:1(9Z)/18:2(9Z,12Z)) Esi+14.341012",745.5533,14.341012,0.801324113,0.930777415,0.370299314,0.660344611,0.746237039,0.703722917,0.736487899,-0.268231991,-0.416621275,-0.091206178,-0.223542698,-0.334842114,-0.247331307,-0.281707431
4235,C15 H28 O5,6-Hydroxypentadecanedioic acid Esi+9.514005,288.1932,9.514005,0.419659784,0.319517741,0.460098683,0.389837778,0.336767546,0.471760956,0.346275029,0.402877903,0.353439564,0.461856975,0.445880777,0.324932032,0.469067006,0.36020335
4236,C23 H43 N O3 S,N-oleoyl methionine Esi+8.056022,413.2981,8.056022,0.526655547,0.495443005,0.528388966,0.686438429,0.266290171,0.87797858,0.24322016,-0.725438248,-0.667968052,-0.793999184,-0.892944323,-0.484030547,-1.013674224,-0.539601896
4237,C12 H Cl3 N O10 P S4,C12 H Cl3 N O10 P S4,582.7278,11.684011,0.169926919,0.182897943,0.196030737,0.162606834,0.294475607,0.277582296,0.142901645,0.129452343,0.149304679,0.105768856,0.124380454,0.110703276,0.200217003,0.08382776
4238,C9 H14 O3,C9 H14 O3,170.0988,4.663005,0.014824805,0.115049963,0.281395687,0.01176809,0.029215834,0.407538093,0.223633996,0.05564837,-0.054173289,0.186663683,0.113223315,-0.027435194,0.304498918,-0.104794747
4239,C29 H28 N4 O3,PD 123177,479.2104,13.782981,1.520197277,1.46453426,1.207877411,1.460821868,1.276840102,1.301231397,1.391836142,-1.351344743,-1.459352057,-1.222493913,-1.397709349,-1.280803776,-1.341917425,-1.357422883
4240,C22 H26 O7,Clusin Esi+9.37999,424.1505,9.37999,0.794244427,0.761690641,0.784647739,0.66196374,0.963587771,0.846267217,0.800533619,0.657191022,0.61253295,0.710467319,0.612319528,0.740876965,0.672655161,0.647220722
4241,C22 H54 Cl N10 O6,C22 H54 Cl N10 O6,589.3956,12.935039,0.91133168,0.827163539,1.013088695,0.599324188,1.591050727,0.762704986,1.059616826,0.700537985,0.765037019,0.623591769,0.50666027,0.945812423,0.671203281,0.71945115
4242,C14 H20 N2 O16 P2,UDP-L-Ara4O,534.0292,11.409005,0.252818404,0.131173377,0.471803016,0.185727359,0.40977299,0.146955536,0.397170559,0.27952281,0.185497888,0.391692892,0.246895006,0.29727926,0.179677221,0.34389694
4243,C28 H64 N26 O3,C28 H64 N26 O3,812.5645,13.761976,0.472602283,0.588344053,0.100374009,0.586194072,0.140793232,0.390068038,0.36191663,-0.164623956,-0.247279205,-0.066017694,-0.165633843,-0.178156246,-0.124579405,-0.190442153
4244,C28 H57 N13 O2 P,C28 H57 N13 O2 P,638.4501,16.24297,0.345568341,0.524521099,0.036892733,0.2713875,0.364479584,0.177274246,0.341730712,-0.121195147,-0.262669766,0.047581592,-0.074617624,-0.196864304,-0.085190706,-0.144408536
4245,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+7.2249837,170.0904,7.2249837,0.497979354,0.382776308,0.573327484,0.433122907,0.475353924,0.481315061,0.466515299,0.301927673,0.267449206,0.343059879,0.315309374,0.275618252,0.32405595,0.287660757
4246,C12 H20 N2 O,Ammodendrine,208.1572,6.6889935,0.907434324,1.165323008,0.529809603,0.991323506,0.863571289,1.040989185,0.725776344,-0.234408573,-0.287983634,-0.170494464,-0.215271363,-0.257171046,-0.247453188,-0.225998229
4247,C28 H48 O5,2-Deoxybrassinolide Esi+13.889973,464.3523,13.889973,0.225831773,0.294939857,0.154877336,0.026837845,0.462597416,0.295591806,0.247079064,0.313104263,0.318352939,0.306842685,0.130587932,0.544330722,0.317053168,0.310558258
4248,C18 H34 O3,12R-HOME(13Z) Esi+15.233971,298.25,15.233971,1.479177799,1.667967759,1.085777366,1.499799274,1.22053875,1.499234107,1.370697563,-1.378593804,-1.687763835,-1.009759382,-1.473693283,-1.215350446,-1.450613412,-1.33216011
4249,C35 H54 N P,C35 H54 N P,519.3629,12.680983,0.049672873,0.23434903,0.317883951,0.231008986,0.217717456,0.288727642,0.219454208,-0.007999245,-0.148410588,0.159509024,-0.077732383,0.071629081,-0.156496014,0.087742093
4250,C22 H45 N O,Docosanamide,339.3496,16.346973,0.806918646,0.676117068,1.031196765,0.842991141,0.859536022,0.580903885,0.938423294,-0.523455349,-0.4890137,-0.564543632,-0.555027475,-0.512655793,-0.468398395,-0.558952595
4251,C24 H44 N4 O4,C24 H44 N4 O4 Esi+5.334998,452.3356,5.334998,0.354805751,0.186875818,0.669174701,0.547922668,0.261834375,0.227163285,0.47699707,0.450684278,0.233663342,0.709586448,0.583309456,0.297648773,0.258907927,0.574329557
4252,C22 H43 N9 O P,C22 H43 N9 O P Esi+11.920979,480.3342,11.920979,0.578609199,0.56101456,0.72894718,0.748715268,0.488927664,0.680833106,0.595696968,0.747959581,0.683183466,0.82523635,0.861883028,0.558628092,0.79706121,0.716301952
4253,C12 H17 N O2,MDMA methylene homolog,207.1255,5.329994,0.670019654,0.523457152,0.713552753,0.562492324,0.661138025,0.383443432,0.822882378,0.436513293,0.34702374,0.54327276,0.419143036,0.433125261,0.311284921,0.517252638
4254,C18 H37 N9 O4,Arg Leu Arg,442.2905,13.48297,0.749283047,0.466255785,1.14488444,0.922254553,0.663784764,0.565150682,0.897788297,0.394176875,0.27071115,0.541469319,0.4189692,0.358305401,0.325536881,0.438431608
4255,C32 H48 O10,Debromoaplysiatoxin Esi+8.543975,592.3203,8.543975,0.094568387,0.056721899,0.020759778,0.110224916,0.132346407,0.139144991,0.044135159,0.074223901,0.168005129,-0.037655458,0.400710841,-0.447915089,0.55866679,-0.238114277
4256,C20 H6 N4 O22,C20 H6 N4 O22 Esi+10.417988,653.946,10.417988,1.000629317,0.921631874,1.077437611,1.181878686,0.695266999,0.862968258,0.981698213,-0.509395096,-0.468214751,-0.558522525,-0.556121646,-0.468318445,-0.40280077,-0.578120385
4257,C5 H3 N3,Cyanopyrazine,104.0265,4.541993,0.427330888,0.332743996,0.53106306,0.430838657,0.303706457,0.282096392,0.487293568,-0.341750166,-0.194157361,-0.517825792,-0.297782204,-0.398931225,-0.148330019,-0.46645526
4258,C27 H44 N O7 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi+12.0",525.2921,12,1.002128386,0.818406545,1.326179004,1.148874842,0.953169552,1.057292825,1.052893973,0.609522494,0.533533697,0.700175795,0.67324897,0.519994825,0.633909517,0.593799281
4259,C25 H54 N14 O,C25 H54 N14 O,566.4565,16.518011,1.779478615,1.807281806,1.751124604,1.734146462,1.831639526,1.80857558,1.72875446,-1.135049743,-1.21820636,-1.035845358,-1.093498304,-1.198091092,-1.096152984,-1.160127916
4260,C35 H68 N O7 P,PE(14:1(9Z)/P-16:0),667.4568,11.375983,0.813682054,0.778879358,0.80369478,0.969314169,0.60484475,0.680276907,0.833291707,-0.423461968,-0.389141281,-0.464405946,-0.435176111,-0.429014242,-0.30484681,-0.499937531
4261,C31 H57 N8 P,C31 H57 N8 P,572.4431,15.451983,1.567998727,1.781136154,1.310809745,1.655330986,1.463571957,1.617552081,1.535265787,-2.223982419,-2.578809756,-1.800679632,-2.294421708,-2.144004206,-2.223424388,-2.224342202
4262,C9 H6 I2 O4,"3,5-Diiodo-4-hydroxyphenylpyruvate",453.8222,12.366964,0.63255995,0.498152968,0.784803673,0.608352272,0.55776289,0.720911807,0.567927418,0.274220261,0.255356434,0.296724475,0.289971389,0.227365892,0.348798708,0.226136788
4263,C24 H48 O6,C24 H48 O6,432.3448,15.262956,1.25883828,1.390640285,1.436652262,1.436044269,1.490179418,1.319935306,1.428046845,0.979788043,1.014775691,0.938048392,0.938145593,0.997596999,0.811101796,1.088546281
4264,C6 H15 O4 P,Diisopropyl phosphate,182.0708,6.592011,0.348799023,0.251812642,0.404704729,0.245538511,0.4951557,0.109266362,0.46124757,-0.12152259,-0.100943747,-0.146072788,-0.046927554,-0.228678333,-0.00538261,-0.196402314
4265,C32 H56 O9,C32 H56 O9 Esi+13.44898,584.3922,13.44898,1.545403877,1.425311383,1.645246623,1.598161799,1.481776486,1.514257739,1.555716417,2.071609644,1.862958361,2.320526963,2.123212918,1.976832511,1.990040597,2.124200213
4266,<none>,<none> Esi+11.1599865,756.014,11.1599865,0.317046753,0.251093699,0.374322183,0.456040233,0.158561189,0.085525378,0.404319387,-0.097495372,-0.05985829,-0.14239575,-0.112268853,-0.105026644,0.025058296,-0.176510237
4267,C33 H44 N7 O19 P3 S,"(E,E)-Piperoyl-CoA",967.1575,13.29704,0.521332558,0.406163349,0.468054268,0.551960937,0.261668396,0.303103775,0.557784915,-0.169257507,-0.16478549,-0.174592545,-0.166321958,-0.191508999,-0.101797917,-0.212751191
4268,C35 H56 O10,Madlongiside C Esi+14.576971,636.3868,14.576971,0.250914829,0.112097598,0.549727182,0.192992627,0.310162442,0.421282456,0.175228052,0.307715987,0.207729367,0.426998271,0.31220198,0.279090854,0.418111025,0.236540239
4269,C11 H22 O22 P4,"Phosphatidylinositol-3,4,5-trisphosphate Esi+14.066962",629.9541,14.066962,0.404285607,0.500705786,0.065515125,0.481539604,0.197169159,0.207560266,0.394714679,-0.143931404,-0.19812928,-0.079274288,-0.127322573,-0.178801156,-0.053073748,-0.202510682
4270,C38 H69 N O8,"GlcCer(d14:2(4E,6E)/18:1(9Z))",689.4898,9.711998,0.7811918,0.681227834,0.839079648,0.94081034,0.604292163,0.679288316,0.741309642,-0.416886884,-0.359537414,-0.485303795,-0.408938605,-0.44461509,-0.304709187,-0.489211978
4271,C14 H22 N O4,Hesperaline Esi+4.469985,267.1437,4.469985,0.092773184,0.020360882,0.055201749,0.070829704,0.172590477,0.001845123,0.069825768,0.16304421,0.33414674,-0.041078107,0.169811622,0.164394884,0.376197139,0.025616663
4272,C5 H14 N O,Choline Esi+11.592019,103.0997,11.592019,1.64250244,1.541999139,1.599236761,1.558588912,1.502058815,1.497781017,1.56555277,-2.180672,-2.270548121,-2.073451364,-2.371657456,-1.92275248,-2.178802199,-2.18187753
4273,C10 H18 N6 O4,C10 H18 N6 O4,286.1407,4.825007,0.045241791,0.104168866,0.189418535,0.149934424,0.265460536,0.318887193,0.311709055,-0.106287573,-0.019325938,-0.210031278,0.053024412,-0.29496411,0.151706794,-0.272626047
4274,C29 Cl2 N O8 S5,C29 Cl2 N O8 S5,719.7595,6.2989955,2.096808732,1.99956529,2.077786844,2.017218567,2.166093053,1.994007241,2.122366282,2.389735935,2.533504427,2.218222645,2.257399323,2.560713629,2.421514286,2.369247261
4275,C37 H62 O13,Cyclopassifloside VII,731.4405,13.989012,0.718768539,1.094826908,0.143618414,0.721677883,0.551323972,0.870821578,0.562703834,-0.238488138,-0.453500118,0.018017381,-0.250927402,-0.217437454,-0.334698108,-0.176458026
4276,C11 H19 N7,C11 H19 N7 Esi+8.833986,249.1662,8.833986,0.715876498,0.617947769,0.769110395,0.762477976,0.587373748,0.682529216,0.663559508,-0.845368173,-0.790475068,-0.910854684,-0.85907141,-0.838196304,-0.801068803,-0.873929609
4277,C13 H18 O3,Dehydrovomifoliol,244.1076,6.587007,1.129173998,1.075360499,1.009769399,1.011402362,1.07139025,1.057471155,1.098344892,0.573703031,0.581605596,0.564275409,0.562636746,0.575467575,0.62751278,0.539009903
4278,<none>,<none> Esi+13.835995,791.5529,13.835995,0.417839288,0.396634991,0.298759052,0.51622642,0.138027639,0.254659329,0.399769644,-0.157391178,-0.197033281,-0.110098844,-0.172813406,-0.158350214,-0.048482911,-0.22760835
4279,C19 H24 N4 O4,Ala Pro Trp Esi+8.43002,372.1791,8.43002,0.257499717,0.233775618,0.258664066,0.342455942,0.172385853,0.029367739,0.367358607,-0.179740485,-0.171052509,-0.190105088,-0.20768998,-0.162612386,0.073026191,-0.342708474
4280,C22 H43 Cl N O4,C22 H43 Cl N O4,420.2879,8.254019,0.26496692,0.43402235,0.013052357,0.520783881,0.12331709,0.792180931,0.095026005,-0.410850478,-0.495359405,-0.31003281,-0.699248432,-0.003743869,-0.787522236,-0.167996318
4281,C26 H43 N O5 P S,C26 H43 N O5 P S,512.2598,9.006986,1.337118935,1.320505789,1.196940628,1.316607598,1.29544041,1.492169491,1.196347752,1.784084151,1.789891743,1.777155796,1.701263526,1.846898283,1.948411573,1.678136208
4282,C7 H8 N2 O2,4-Amino-2-nitrotoluene Esi+1.5130004,152.0585,1.5130004,1.066813876,0.987828636,0.94901947,0.84237822,1.17707712,0.839938915,1.05949569,0.553629009,0.663802323,0.422194177,0.480813035,0.668313571,0.522524465,0.573683254
4283,C17 H35 N O3,C17 H35 N O3,301.2612,10.327977,0.062231826,0.234123644,0.198935094,0.204712997,0.154304637,0.365618861,0.141443817,-0.056732612,-0.214113744,0.131020316,-0.166919268,0.114348441,-0.266118586,0.078266239
4284,C21 H40 N O4,cis-5-Tetradecenoylcarnitine Esi+10.58699,369.2869,10.58699,0.271486719,0.149019665,0.460774368,0.343585764,0.216638005,0.472992696,0.202068477,0.112415503,0.039806494,0.199036776,0.089477342,0.137249368,0.167935702,0.076619585
4285,C34 H50 N10 O7,C34 H50 N10 O7,710.3865,12.951981,0.603445948,0.678230216,0.482764295,0.584917446,0.648054598,0.476908626,0.6444064,-0.474795009,-0.514971168,-0.426865557,-0.366140785,-0.64899875,-0.356974975,-0.550757926
4286,C29 H37 N3 O2,Deoxytubulosine Esi+13.024975,459.289,13.024975,1.093759836,0.877352559,1.139213949,1.09433559,0.909028783,0.943525959,1.048516262,1.241513234,1.029090657,1.494929642,1.276837788,1.181279465,1.193662185,1.272364569
4287,C36 H54 O12,Medicagenic acid 3-O-b-D-glucuronide Esi+12.974035,678.3582,12.974035,0.093031066,0.222243958,0.119453194,0.059918928,0.266631844,0.073398065,0.124579436,0.009833605,-0.188050002,0.245905277,0.181287507,-0.252890088,0.11970226,-0.061002764
4288,C25 H52 N2 O,C25 H52 N2 O Esi+13.387964,396.4074,13.387964,0.957517803,0.833673782,0.821046161,0.783918138,0.962898246,0.804485375,0.844911919,2.107665932,2.001241695,2.234628179,1.876498447,2.544204672,2.052936645,2.14295192
4289,C31 H61 O7 P,PA(P-16:0/12:0),575.4025,12.791014,0.045387695,0.29186766,0.383963058,0.050102969,0.05477153,0.108226278,0.039413367,0.04561087,-0.141833631,0.269228871,0.060160189,0.032946099,-0.022884004,0.089772039
4290,C19 H32 O8,Dihydroroseoside Esi+9.239012,388.2097,9.239012,0.022470948,0.002039674,0.130425621,0.108362921,0.028224587,0.370585408,0.317113445,-0.072416507,-0.05793289,-0.089695207,-0.157359037,0.017558358,0.218515176,-0.259990882
4291,C25 H40 N2 O6 S,"14,15-LTD4 Esi+10.863019",496.2645,10.863019,1.450011683,1.265872343,1.773759568,1.348019582,1.607840259,1.497236222,1.495011399,1.883932542,1.658241299,2.153178235,1.835965444,1.951028143,1.846700155,1.907937633
4292,C37 H50 O8,3-O-Protocatechuoylceanothic acid,622.3531,8.124016,0.589629967,0.537750234,0.685697464,0.583254803,0.664933951,0.686908266,0.425865026,-0.644902079,-0.530596061,-0.781267153,-0.599345737,-0.704893738,-0.617690801,-0.662446193
4293,C23 H28 O6,Armillaritin,417.2143,10.031005,1.238734642,1.048596894,1.443483169,1.046232319,1.533548558,0.834051214,1.484745842,0.910923801,0.781505044,1.065318108,0.736268977,1.202236467,0.621735032,1.097374455
4294,C15 N O18 S2,C15 N O18 S2,545.8567,10.582013,0.391849411,0.357521922,0.427810114,0.209898705,0.488409607,0.38257169,0.432093312,0.252426012,0.274168782,0.226487269,0.233354363,0.252788149,0.311178893,0.214545865
4295,C38 H48 N4 O2,Santiaguine Esi+10.155023,592.3787,10.155023,0.77149103,0.814975229,0.621236562,0.824165575,0.591245607,0.823150108,0.699207667,0.477043119,0.579695866,0.354580192,0.548608853,0.342813503,0.595437831,0.400709686
4296,C27 H46 N9 O4,C27 H46 N9 O4,560.3668,11.916993,0.510212153,0.490347037,0.341525545,0.575934259,0.176395441,0.495672271,0.402994613,0.991484446,1.007219725,0.972712534,1.305822119,0.577067723,1.173129366,0.874371274
4297,C16 H26 O4,Lactapiperanol C Esi+8.77198,282.1814,8.77198,0.241369544,0.119103733,0.373269102,0.136275328,0.359384147,0.204250611,0.247654253,-0.191597798,-0.038329837,-0.374443785,-0.056921596,-0.409963784,-0.097166702,-0.252481004
4298,C29 H50 N2 O3,DL-PPMP,473.3668,15.429992,0.961088024,1.202756214,0.579174486,1.213187898,0.618214333,1.044515145,0.813611855,-0.786014324,-1.014491582,-0.513444963,-0.908017377,-0.633330915,-0.882065511,-0.724086584
4299,C16 H26 N6 O5,Leu His Asn Esi+9.140004,382.1963,9.140004,0.194948451,0.20189174,0.168333633,0.212473129,0.231611906,0.189095767,0.169945503,-0.052502011,-0.099784846,0.003905581,-0.006859404,-0.137436436,-0.048758576,-0.054915542
4300,C31 H64 Cl2 N6,C31 H64 Cl2 N6 Esi+15.909972,590.4519,15.909972,1.178466341,1.325664387,0.932120441,1.223423242,1.035227099,1.229180486,1.092991253,-1.148374039,-1.319574011,-0.944135476,-1.220156979,-1.060032997,-1.199080532,-1.115681694
4301,C36 H60 O8,Ginsenoside Rh4 Esi+13.233961,642.4079,13.233961,0.905412354,0.985283915,0.860539693,0.865168458,0.984135726,0.900787982,0.930347022,0.378953113,0.429682755,0.318433541,0.352867345,0.414220858,0.378507823,0.379240209
4302,C15 H22 O4,Isoleptospermone Esi+9.135988,266.1493,9.135988,0.619530815,0.541408287,0.746069391,0.506515796,0.824084925,0.354853494,0.718581746,0.388653356,0.354158295,0.429805359,0.235404759,0.590424697,0.212835844,0.502009383
4303,C42 H76 N20 O2 P,C42 H76 N20 O2 P,923.6204,12.391021,0.301146291,0.232469968,0.233498178,0.28459284,0.096120193,0.174090414,0.267897206,-0.114056755,-0.135263272,-0.088757752,-0.090114437,-0.180198601,-0.083486352,-0.133766621
4304,C31 H68 Cl N17 O5,C31 H68 Cl N17 O5,793.5295,13.926021,0.506798075,0.539964786,0.228665544,0.315921652,0.637399548,0.231981506,0.571645596,-0.245109573,-0.356959082,-0.111675072,-0.131953933,-0.428441768,-0.110229954,-0.332071433
4305,C45 H80 N O8 P,"PE(22:1(11Z)/18:4(6Z,9Z,12Z,15Z))",815.5448,13.920968,0.464422509,0.457004341,0.399252847,0.452427917,0.373062625,0.496314048,0.41014577,0.285690335,0.288567099,0.282258405,0.334856284,0.222099082,0.317251664,0.265341583
4306,C21 H36 N O,Tridihexethyl Esi+11.045006,317.272,11.045006,0.271152986,0.223000714,0.248483247,0.441272273,0.084751074,0.341259023,0.187373509,0.058693724,0.017985054,0.107258453,0.096844077,0.008691131,0.115002371,0.022389465
4307,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+10.68299,508.265,10.68299,2.298018331,2.2474642,2.380117814,2.302999086,2.368174374,2.206153097,2.414429183,2.739370373,2.627328805,2.873033998,2.679929534,2.79540622,2.677497584,2.779262039
4308,C29 H56 O S2,C29 H56 O S2 Esi+14.125,484.3765,14.125,0.666621698,0.732921127,0.440761341,0.621326484,0.614001755,0.564155846,0.624948224,-0.505882804,-0.687217133,-0.28955413,-0.477948216,-0.584480141,-0.493956054,-0.513572419
4309,C35 H65 O10 P,"PG(17:2(9Z,12Z)/12:0)",675.4207,13.019024,0.487460365,0.486294654,0.414436878,0.611671648,0.344927457,0.473954169,0.416498193,-0.687714801,-0.869673344,-0.470641452,-0.712975405,-0.698099376,-0.714667757,-0.670337238
4310,C34 H58 O6,Campesteryl glucoside Esi+15.158985,562.4215,15.158985,0.513140455,0.259203442,0.796408335,0.597668552,0.537317059,0.370015382,0.489751555,-0.236568084,0.002062484,-0.521250165,-0.155611078,-0.400067664,-0.098314242,-0.325705429
4311,<none>,<none> Esi+13.895997 :1,769.0406,13.895997,0.093552637,0.211282577,0.33927007,0.073463116,0.115372787,0.100882374,0.038106881,0.022183086,-0.051493248,0.11007766,0.029355424,-0.004490547,0.069707428,-0.008457609
4312,C37 H72 O2 S2,C37 H72 O2 S2,612.4935,15.301022,0.889756104,0.789914869,0.844543177,0.701043001,0.851577783,0.608913308,0.897438308,-0.614424121,-0.600578197,-0.630942066,-0.608409822,-0.629599649,-0.546882372,-0.657970776
4313,C18 H32 N6 O4,Leu His Lys Esi+11.409004,396.249,11.409004,2.119242866,1.960862336,2.361068192,2.092055912,2.270319866,2.00203822,2.254035188,2.329811994,2.075122126,2.633652539,2.167663183,2.530196228,2.110839853,2.470991401
4314,C13 H2 N O16 P S2,C13 H2 N O16 P S2,522.8575,9.150989,0.719028434,0.729044503,0.715502554,0.966550461,0.375015595,1.072477393,0.490792293,-0.761435067,-0.757744743,-0.765837558,-0.971652404,-0.491147614,-0.963576204,-0.631107228
4315,C18 H38 N12 O4,Arg Arg Arg,486.311,12.936008,2.102685363,2.037855426,2.293595358,2.212134211,2.236008814,1.964262899,2.333318753,1.667454196,1.510065886,1.855215689,1.664939451,1.707102041,1.537088189,1.751505963
4316,C47 H76 O11,"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol Esi+13.92897",816.5354,13.92897,0.67090469,0.789706021,0.336677426,0.613117667,0.610056089,0.653396845,0.568688554,-0.605475337,-0.848256365,-0.315841829,-0.527735576,-0.719193567,-0.674662547,-0.560867793
4317,<none>,<none> Esi+8.7779875,539.8394,8.7779875,0.434074858,0.674354906,0.062831644,0.324683763,0.46690287,0.515515528,0.315554446,0.139792136,0.293315568,-0.043358625,0.095544972,0.179546701,0.221409319,0.087170531
4318,C40 H70 N O10 P,"PS(14:0/20:4(5Z,8Z,11Z,14Z))",772.5115,12.75299,0.979391727,0.78391911,1.1377279,0.986367688,0.920039285,0.857328354,1.065322256,0.42920145,0.381834179,0.485709774,0.437518401,0.411449154,0.358629759,0.474701619
4319,C18 H35 N8 O3 P,C18 H35 N8 O3 P,440.2558,10.652012,0.863705832,0.853361272,0.679631729,0.849513562,0.830172018,0.505410764,1.01014231,-0.601559077,-0.681634316,-0.506030721,-0.507041502,-0.75083304,-0.343400474,-0.768003439
4320,C28 H44 N7 O4,C28 H44 N7 O4 Esi+12.423004,542.3466,12.423004,1.992374673,1.86339937,2.102893407,1.958209025,2.05057487,1.907068294,2.051272394,3.679899919,3.358294393,4.06356967,3.573689844,3.798552516,3.467812149,3.816640718
4321,C17 H37 N O2,C17 Sphinganine Esi+9.654027 :1,287.2825,9.654027,1.706034752,1.853859735,1.814474104,1.814544961,1.961956268,1.93914222,1.807565149,-0.780957163,-0.744286089,-0.824705112,-0.717967148,-0.878875812,-0.741211002,-0.806582978
4322,C37 H62 O12,Cyclopassifloside X Esi+14.8459635,715.4513,14.8459635,0.639327777,0.748229009,0.503086996,0.678012979,0.722510225,0.560693595,0.622355114,-0.404969025,-0.527469497,-0.25882811,-0.391468232,-0.449715929,-0.327539643,-0.454890599
4323,C41 H56 O7,Neurosporaxanthin ?-D-glucopyranoside,659.3904,13.970966,0.007658028,0.37084398,0.494614214,0.117749292,0.143980346,0.121481239,0.111113492,0.047915151,-0.27100894,0.428385997,-0.031404432,0.163285326,-0.09850457,0.14231734
4324,C14 H16 N4,Imiquimod Esi+7.0179806,240.1358,7.0179806,0.074078746,0.087748014,0.314933268,0.095039665,0.219505782,0.078572748,0.114940402,0.063523565,-0.045221565,0.193254598,-0.002837885,0.137365876,0.054222526,0.069520287
4325,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.910001,284.1242,5.910001,1.854461107,1.75495313,1.803432639,1.778376673,1.844676444,1.646593293,1.92894319,1.752637039,1.77943443,1.720668221,1.701385431,1.80567467,1.639922395,1.825308322
4326,C18 H45 N18 O3,C18 H45 N18 O3 Esi+13.832018,561.399,13.832018,0.040783986,0.126275124,0.148731146,0.174024905,0.185481997,0.117947305,0.009607856,0.029233701,0.025782783,0.033350586,0.005553848,0.045889365,0.142168686,-0.043579644
4327,C18 H20 N2 O3,Phe Phe Esi+5.5720124,312.1505,5.5720124,0.439421087,0.279276521,0.534588843,0.506999142,0.364274444,0.311101341,0.47639779,0.786957294,0.434908323,1.206945541,0.902972327,0.736208641,0.60482929,0.904381928
4328,C11 H15 N O2,2-Methoxymethcathinone,193.1081,5.3920026,0.221368943,0.399821459,0.124167436,0.148439704,0.26687608,0.325769338,0.080546507,-0.118853164,-0.202010419,-0.019648018,-0.023007101,-0.193282094,-0.163709491,-0.089932638
4329,C24 H36 O10,Plantaricin BN Esi+8.985986,484.2289,8.985986,1.44840859,1.410238221,1.50514524,1.384060849,1.520900719,1.586877125,1.378309374,2.026397723,1.977641583,2.084562943,1.997559104,2.031349008,2.24598772,1.884819962
4330,C19 H15 N10 O17 P S,C19 H15 N10 O17 P S Esi+13.697999,718.0066,13.697999,0.238135492,0.38151733,0.102767237,0.264268554,0.12559977,0.217718926,0.172998134,-0.126850755,-0.215669582,-0.020891454,-0.134183795,-0.133605987,-0.176998512,-0.094518649
4331,C29 H N3 O17,C29 H N3 O17,662.9303,10.871007,0.620204071,0.741203807,0.454377486,0.498245232,0.629098469,0.765990906,0.522185785,0.33084184,0.432872238,0.209121366,0.337287705,0.299140293,0.472211934,0.239695333
4332,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+11.121002,508.2646,11.121002,1.194193517,1.037936498,1.49870238,1.13493122,1.172303477,1.269289791,1.240030839,1.275106804,1.122368559,1.457320851,1.351670235,1.159199044,1.509362611,1.124073455
4333,C51 H91 O12 P,"PI(P-20:0/22:4(7Z,10Z,13Z,16Z))",925.6171,8.696021,0.382822681,0.261913739,0.584042548,0.490958696,0.244217539,0.125861109,0.481482399,-0.209659732,-0.11020271,-0.328310214,-0.208909163,-0.237115706,-0.04577258,-0.315323817
4334,C38 H75 N O8 P S,C38 H75 N O8 P S,736.4946,12.837967,1.145566936,1.163616001,1.187587682,1.145576278,1.07356451,1.292567399,1.113407916,0.660707204,0.703634036,0.609496248,0.699246625,0.579947111,0.78768375,0.578840747
4335,C9 H4 Cl8 O,Isobenzan Esi+11.248025,406.7711,11.248025,1.085476508,1.309690044,0.690247606,1.225838959,0.823004192,1.301654767,0.901631258,0.749954465,0.931150008,0.533791361,0.854524859,0.570234795,0.88713084,0.661511802
4336,C50 H70 O2,2-demethylmenaquinone-8 Esi+14.366961,701.5273,14.366961,0.941055515,1.048396731,0.557456973,0.809926996,0.901578792,0.896570134,0.857344394,-0.37581576,-0.517829103,-0.206396333,-0.320758685,-0.459506716,-0.366222915,-0.38200062
4337,C48 H74 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",872.5311,8.244996,0.080472138,0.336447434,0.337672839,0.07000972,0.024346268,0.425126381,0.176169983,0.028661165,0.181581046,-0.153769571,0.057354237,-0.040532968,0.222341671,-0.096211793
4338,C40 H54 O,"3-cis-Hydroxy-b,e-Caroten-3'-one",572.3989,11.079011,0.732028506,0.64852442,0.703042819,0.723397071,0.622699185,0.689404754,0.674699789,-0.877647567,-0.932220069,-0.812543528,-0.872017542,-0.907726911,-0.907215254,-0.858584189
4339,C13 H17 N3 O5,Asparaginyl-Tyrosine,294.1077,5.1610084,0.369985143,0.58801732,0.103469008,0.63378017,0.075463518,1.038558119,0.110593446,-0.180118133,-0.293736966,-0.044572858,-0.257848945,-0.074510317,-0.471470627,0.007727555
4340,C9 H2 Cl3 N O9 P S5,C9 H2 Cl3 N O9 P S5,562.73,13.677982,0.804309219,0.700813893,0.940479292,0.794929453,0.818333196,0.988732998,0.68909897,0.362098088,0.368841017,0.354053893,0.376226337,0.325114792,0.466568082,0.294742434
4341,C20 H16 O15,"3,5-Di-O-galloyl-1,4-galactarolactone",518.0349,13.894028,0.090751876,0.053251421,0.221263333,0.086992842,0.252635338,0.219746969,0.127363764,0.063208471,0.056047686,0.071751163,0.067334077,0.044936565,0.110364045,0.032805536
4342,C17 H16 O5,"2,4-Dihydroxy-6,4'-dimethoxychalcone",300.1006,5.444992,0.442238707,0.386042443,0.696112014,0.328739439,0.687450181,0.301250027,0.65622262,0.31271975,0.139488851,0.519381173,0.196828586,0.475789734,0.147410102,0.41930097
4343,C29 H57 N O10 P,PC(16:0/5:0(COOH)) Esi+13.385009,610.369,13.385009,0.910768531,0.826009436,0.765019564,0.861708569,0.750765223,0.796568966,0.834767596,-1.737245316,-1.866755669,-1.582741738,-1.729884244,-1.756016699,-1.830530607,-1.677100853
4344,<none>,<none> Esi+12.310038 :1,528.6984,12.310038,0.162053979,0.075686826,0.239582895,0.034509935,0.22633474,0.09256914,0.207608508,0.201252111,0.168698855,0.240087575,0.207883249,0.174251301,0.214443287,0.192747275
4345,C36 H73 N6 O5 P S2,C36 H73 N6 O5 P S2,764.4714,14.340029,0.475023838,0.311526794,0.70078661,0.568673192,0.360107029,0.541437411,0.44565209,0.485184169,0.374805257,0.616864275,0.549903733,0.371423341,0.557455488,0.438588187
4346,C11 H20 N2 O3,C11 H20 N2 O3,228.1472,1.0489992,1.2644803,1.340918697,1.000639888,1.2313317,1.355444288,1.416039121,1.145433291,0.731758032,1.0004624,0.411198436,0.720261574,0.760772415,0.832457116,0.666833623
4347,C9 H14 O5,3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid Esi+3.3020017,202.0832,3.3020017,1.184349696,1.158126281,1.098074386,1.104978594,1.16871537,1.20236089,1.08890542,0.815487187,0.863103533,0.75868172,0.801529386,0.835130851,0.927911209,0.743003278
4348,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+12.342024",414.2255,12.342024,1.733363088,1.372302099,2.139861617,1.550924316,2.006225972,1.589443516,1.846563798,2.470466798,2.019013604,3.009042538,2.198602449,2.859995477,2.196472265,2.647121168
4349,C41 H50 N2 O11,Hedamycin,746.3445,13.164001,1.966140049,1.746300559,2.079719907,1.943583075,1.914873033,1.832590137,1.9854428,1.863127423,1.701586614,2.055842774,1.848530512,1.878300887,1.746929739,1.938044351
4350,C12 H22 O2,7-Hexyl-2-oxepanone Esi+16.22296,198.1616,16.22296,1.854915934,1.998685347,1.583910723,1.922361734,1.727821093,1.895244757,1.805254171,-1.192885561,-1.389210308,-0.958673582,-1.221371094,-1.16096802,-1.185173006,-1.197858129
4351,<none>,<none> Esi+3.7680044,114.0873,3.7680044,0.449548435,0.411074876,0.479822493,0.434669023,0.491174068,0.259817734,0.586772669,0.293551188,0.334036,0.245253517,0.245149709,0.398077437,0.175269083,0.369812019
4352,C23 H48 O6,C23 H48 O6 Esi+14.393013,420.3445,14.393013,1.168552097,1.22531194,0.962153245,1.299504673,0.980367329,1.18023506,1.093901351,0.716472807,0.818445069,0.594821689,0.796980244,0.593296506,0.779777479,0.675657953
4353,C43 H79 O10 P,"PG(19:0/18:3(9Z,12Z,15Z)) Esi+15.511976",785.5293,15.511976,1.360371484,1.377848457,1.218652491,1.384551091,1.22338437,1.432754275,1.256571536,1.195091283,1.271016112,1.104514294,1.291691184,1.06062575,1.377739822,1.077331041
4354,C34 H67 N2 O7 P,"PE-Cer(d16:2(4E,6E)/16:0(2OH)) Esi+9.975997",668.4494,9.975997,1.10166748,1.178754331,0.888703252,1.181639179,0.968109019,1.131707903,0.984616864,-0.743949602,-0.813608558,-0.66084769,-0.791857775,-0.673995077,-0.771454588,-0.726216124
4355,C28 H26 O18,"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside",650.1131,13.303971,1.131881544,1.137306281,0.94890083,1.254051386,0.798617227,1.054330866,1.048184051,-0.44098762,-0.495288385,-0.37620776,-0.443549983,-0.451562111,-0.410022011,-0.460952289
4356,C24 H32 N4 O5,Tyr Lys Phe,478.2165,10.24699,1.296800586,1.468082975,0.924755916,1.252015234,1.246097814,1.410865284,1.19533025,-0.698635903,-0.834869762,-0.536111299,-0.699839598,-0.675671136,-0.788880534,-0.640451865
4357,<none>,<none> Esi+7.3559904,523.6453,7.3559904,1.144694051,0.948985201,1.017510173,0.934646591,1.156218411,1.050386128,1.05209542,0.50334508,0.513157968,0.491638477,0.417319432,0.618252754,0.485101215,0.515107573
4358,C29 H57 N O5,C29 H57 N O5,499.4234,9.541993,0.16288852,0.35841051,0.080619088,0.231152645,0.134520541,0.020104169,0.269527009,-0.109366688,-0.227688553,0.03178922,-0.104625194,-0.127735294,-0.026800154,-0.162600376
4359,C23 H31 N11 O13 P S4,C23 H31 N11 O13 P S4,828.0718,13.357971,0.540723672,0.609561688,0.2276847,0.606310394,0.231808468,0.43106759,0.439261457,-0.176812762,-0.252428322,-0.086604726,-0.180010119,-0.186666768,-0.137749737,-0.201998134
4360,C23 H47 N O4,C23 H47 N O4,401.3502,12.304994,0.803398579,0.93629336,0.517621374,0.859481381,0.682327826,0.706715147,0.839170871,0.636352458,0.978317798,0.228393807,0.638942237,0.635731456,0.60107366,0.659097999
4361,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+10.302001",350.2061,10.302001,0.003696753,0.046040244,0.035969476,0.166268118,0.090266759,0.17542646,0.136386897,-0.050979398,-0.033763408,-0.071517772,-0.133891919,0.055227005,0.128418189,-0.166643631
4362,C42 H70 O13,Ginsenoside La,782.4813,11.97703,0.831243847,0.75896556,0.936986905,0.887431807,0.736927318,0.925395659,0.789992967,0.714298679,0.699067514,0.732469191,0.786893979,0.606747557,0.828918708,0.640398923
4363,C36 H58 O11,Cyclopassifloside VI,666.3965,13.449969,0.266919434,0.084196357,0.594946862,0.372164584,0.179762381,0.360777574,0.222098856,0.430563203,0.208114822,0.695940218,0.551348575,0.239209024,0.450993069,0.417391316
4364,C20 H31 F O3,"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one Esi+7.328986",338.2307,7.328986,0.090582161,0.256342588,0.174558797,0.137627926,0.014037867,0.28230045,0.021445568,0.024523057,0.125587633,-0.096045209,0.075174441,-0.067693121,0.140506734,-0.050255893
4365,C23 H25 D4 F3 O6,Fluprostenol-d4,470.7299,5.741,1.659359859,1.635134001,1.616114302,1.578418817,1.676071591,1.692330217,1.559265105,1.603937925,1.713523178,1.47320464,1.497692297,1.760702418,1.735548265,1.51908389
4366,C33 H52 O9,nuatigenin 3-beta-D-glucopyranoside,592.3584,13.548024,0.419561184,0.58339069,0.079877644,0.444545705,0.313850464,0.414901714,0.355954265,-0.231452635,-0.441566789,0.019209865,-0.214586458,-0.244336948,-0.295790393,-0.189971712
4367,C30 H52 O6,Fasciculol C Esi+14.395016,508.3792,14.395016,0.695464311,0.76900019,0.43025536,0.598233883,0.653796937,0.363307338,0.742137104,-0.428965133,-0.539325888,-0.297306689,-0.35026766,-0.565501767,-0.186205181,-0.585481417
4368,C12 H24 N6 O5,Ser Arg Ala,332.1814,5.1770015,0.08225077,0.363463041,0.331936195,0.157335162,0.132411939,0.324837911,0.120838804,-0.002396836,0.150934435,-0.185318353,0.069489598,-0.120602713,0.159690115,-0.106900266
4369,C32 H58 O9,C32 H58 O9 Esi+13.995033,586.3982,13.995033,0.036584865,0.176002957,0.226523417,0.060004203,0.358834129,0.158495528,0.010474288,0.046933768,-0.132514677,0.261012614,0.182214226,-0.16834517,0.001189759,0.076426615
4370,C28 H24 O17,8-C-Ascorbylepigallocatechin 3-gallate Esi+13.058032,631.0989,13.058032,1.005220189,1.018067359,0.810428616,1.077539688,0.691542101,0.955767532,0.915913572,-0.349358686,-0.423200612,-0.261266565,-0.363257654,-0.345455879,-0.36433103,-0.339705465
4371,C27 H42 F2 O,"(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol",442.3014,8.280022,0.800996161,0.915293758,0.643653269,1.021025942,0.439139501,1.202253688,0.494280189,-0.650050243,-0.667082631,-0.629730902,-0.813495907,-0.410456716,-0.803892751,-0.55086231
4372,C26 H38 O9,"7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)",494.2492,12.542985,1.487433497,1.208640203,1.700406537,1.35932813,1.544260126,1.374165664,1.505524235,1.474090049,1.269959246,1.717614515,1.400444037,1.568913012,1.368309732,1.542290516
4373,C38 H74 N10 P S2,C38 H74 N10 P S2,765.5268,13.956037,0.052725126,0.231844647,0.388539402,0.082071801,0.125009884,0.056891964,0.012681165,-0.02115074,-0.118094701,0.094501706,-0.011472888,-0.050386654,0.038690805,-0.059732788
4374,C35 H7 N5 O12 P,C35 H7 N5 O12 P Esi+13.696031,719.9832,13.696031,1.243312218,1.383105673,1.19764213,1.283751303,1.361078097,1.189393887,1.401530677,0.781991703,0.840273067,0.712463058,0.757339364,0.827021942,0.67802778,0.849021074
4375,C24 H51 O8 P,PG(O-18:0/0:0) Esi+8.805017,515.3618,8.805017,0.48619328,0.51545329,0.492646868,0.73818716,0.188591297,0.490174805,0.43762725,-0.30008861,-0.271299119,-0.334433968,-0.363764622,-0.237534566,-0.251701225,-0.33128574
4376,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.221973",278.224,16.221973,1.95150331,2.244213428,1.703108412,2.101612995,1.972738585,2.101251499,1.97711903,-1.74730371,-2.009657745,-1.434319949,-1.724355639,-1.79253371,-1.782264192,-1.7247634
4377,C14 H12 N6 O,Levosimendan,280.108,7.822014,1.008205363,1.097813612,0.766663047,0.887073758,1.063116671,0.693126376,1.13371461,-1.301293761,-1.414475566,-1.166269853,-1.187776114,-1.453596432,-1.036447402,-1.472049966
4378,C27 H48 O8,"(25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol",500.3361,13.635989,1.465789812,1.464737227,1.463736786,1.301855109,1.672059198,1.453264017,1.490457924,-1.1232818,-1.193707072,-1.039265687,-0.976200057,-1.306596782,-1.12879112,-1.119729739
4379,C29 H44 O9,Corchorosol A Esi+12.052983,536.2955,12.052983,1.122614451,0.947404005,1.31075708,0.990135082,1.198479908,1.05781726,1.130904476,1.486865288,1.257438652,1.76056724,1.438056058,1.535762905,1.444928121,1.513903725
4380,C9 H17 N O5,Pantothenic Acid,219.1117,3.2570033,1.281148411,1.312053668,1.065945453,1.325992558,1.112599233,1.275461081,1.155242853,0.739068857,0.85600369,0.599567652,0.772282489,0.715537311,0.785137695,0.709366579
4381,C13 H22 N6 O4,C13 H22 N6 O4 Esi+7.896981,326.1709,7.896981,1.453833521,1.252339612,1.623686003,1.149327519,1.863032249,1.178083213,1.645227568,1.520737033,1.32569943,1.753413472,1.193190337,1.922513005,1.271339205,1.681533002
4382,C28 H51 N O7 P,"LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+12.835996",542.3523,12.835996,0.501116226,0.150030156,1.056282461,0.443269656,0.63838236,0.440391151,0.629517617,0.555342557,0.325008982,0.830126471,0.510664035,0.603366064,0.478285812,0.605023879
4383,C19 H30 O8,Sonchuionoside C Esi+11.146978,408.1764,11.146978,2.071883935,1.866984761,2.295755699,2.029006578,2.164776387,1.991436598,2.139013898,1.851194623,1.619057929,2.128129626,1.747018347,1.992481876,1.726121453,1.931833904
4384,C21 H5 O24,C21 H5 O24,640.9172,10.912017,0.652364271,0.80729806,0.485505527,0.584482201,0.640345753,0.809986856,0.576202242,0.334745383,0.449069968,0.19835816,0.345505266,0.291472049,0.46386688,0.251495997
4385,C22 H42 O4,Dioctyl hexanedioate Esi+11.872004,387.3371,11.872004,0.650015243,0.644468243,0.543792016,0.528696441,0.733436138,0.476371673,0.711983425,-0.629907133,-0.773401927,-0.458720362,-0.605560569,-0.699441561,-0.602199627,-0.647771183
4386,C27 H55 N8 O4 P,C27 H55 N8 O4 P,586.4121,14.600997,1.074135038,0.888628789,1.164870017,1.037618116,1.019605152,1.047685441,1.022093585,1.446502362,1.411746727,1.487965225,1.51897179,1.343168179,1.54791623,1.381117105
4387,C28 H50 O10,3-O-Mycarosylerythronolide B Esi+12.084991,568.3219,12.084991,2.80680354,2.728894811,2.927444527,2.906089439,2.838124878,2.841301086,2.824488314,5.203160187,4.921355024,5.539348804,5.099363424,5.308464335,5.033649222,5.312450152
4388,C8 H18 O5,C8 H18 O5 Esi+0.8890032,194.1144,0.8890032,0.662169939,0.420465561,0.900627657,0.721111768,0.497676118,0.606821327,0.665620445,0.210505945,0.108513049,0.332181681,0.197303841,0.213730214,0.190853109,0.223176852
4389,C16 H33 N O,Palmitic amide,255.2557,10.056983,0.339752945,0.758469816,0.414550167,0.439802405,0.062905292,0.826606156,0.113170288,-0.097615515,-0.232004424,0.062708096,-0.119581362,-0.025359675,-0.258467796,0.006091877
4390,C46 H70 O19,Spinacoside C,926.4585,16.305973,1.040022226,1.006803305,0.983798097,1.043319128,0.945914711,1.164510188,0.912431921,1.008060553,1.035882437,0.974869533,1.076995,0.915514733,1.209102557,0.878441366
4391,C59 H88 O6,"TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]",914.6308,14.10003,1.348128778,1.501883491,0.962447725,1.429449405,1.062459662,1.411353344,1.22189341,-0.898251387,-1.078650119,-0.683038864,-0.957071142,-0.819771413,-0.852217136,-0.927931365
4392,C50 H81 N O8 P,"PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U]",426.7799,7.8549867,0.460323983,0.443529003,0.616934738,0.612998459,0.288716019,0.572656647,0.431178222,-0.3898939,-0.27371795,-0.52848977,-0.497632318,-0.266431871,-0.385684896,-0.3926076
4393,C19 H32 N4 O10 S2,"N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine",540.1509,14.451974,0.825780479,0.899842458,0.52803266,0.728541382,0.771432285,0.825020748,0.687113917,-1.054882205,-1.177241791,-0.908909366,-1.067841035,-1.068260812,-1.202342784,-0.959808937
4394,C24 H40 N6 O8,C24 H40 N6 O8 Esi+9.900982,540.2909,9.900982,1.687603602,1.530217099,2.076920344,1.493266904,2.023446379,1.744555654,1.775526168,2.013169133,1.702663637,2.383596742,1.834060913,2.245120575,1.931883496,2.065576977
4395,C21 H35 N7 O4,Lys Phe Arg,448.2646,6.584991,0.326419178,0.647663331,0.175845826,0.371216152,0.096177989,0.605635431,0.089239326,0.105447274,0.284269357,-0.107884335,0.169369619,-0.005934397,0.284360853,-0.009904902
4396,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+11.076004",528.3315,11.076004,1.815942837,1.841436025,1.781273901,1.75733274,1.968986982,1.792235749,1.921193602,2.832869425,2.805329741,2.865723785,2.801599152,2.8431934,2.867919415,2.810271405
4397,C50 H83 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z)) Esi+14.562011",922.5625,14.562011,0.30243197,0.270716256,0.244876675,0.30801634,0.247231177,0.214897613,0.27538855,-0.116827325,-0.128792948,-0.102552546,-0.069885713,-0.202696783,-0.073508695,-0.144756441
4398,C30 H47 N5 O2,UNC0638 Esi+6.849984 :1,531.3615,6.849984,0.566488551,0.365992493,0.848403021,0.64881856,0.486562422,0.336450683,0.657365224,-0.27941621,-0.151533722,-0.431977773,-0.26581859,-0.317853635,-0.133156573,-0.373715186
4399,C34 H64 N6 O5,C34 H64 N6 O5,636.4926,15.792985,1.026376739,1.013723709,0.855332435,1.001067669,0.87020073,1.103973197,0.832838271,-0.673973457,-0.755332643,-0.576913376,-0.708744304,-0.606124369,-0.803959975,-0.59016636
4400,C27 H51 N11 P,C27 H51 N11 P,558.4219,14.962956,1.635834245,1.831019719,1.462616358,1.696426396,1.657808461,1.800124655,1.571112969,-1.598538747,-1.894691181,-1.24523409,-1.558841931,-1.684561258,-1.688287179,-1.540674627
4401,C40 H75 O12 P,PI(P-16:0/15:1(9Z)) Esi+13.516008,777.493,13.516008,1.734049426,1.587999132,1.883653204,1.728305533,1.735335143,1.670823135,1.782036299,2.143307139,1.896594055,2.437631519,2.064692272,2.233769075,2.038220222,2.211060545
4402,C15 H24 O7,"Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate Esi+5.590987",316.1517,5.590987,0.570397864,0.459947269,0.661258473,0.664441539,0.435085801,0.325952566,0.665293228,-0.394056185,-0.305098134,-0.500181579,-0.406805003,-0.395265604,-0.228027565,-0.501100952
4403,C28 H50 N4 O3 S,Oleic Acid-biotin,522.3537,15.212955,0.002076481,0.208303315,0.425902104,0.098589372,0.202908128,0.01189293,0.099399668,0.084581738,-0.036707873,0.229278116,0.048374297,0.100698732,0.07013146,0.093898365
4404,<none>,<none> Esi+12.103021,873.0877,12.103021,0.470859471,0.362224993,0.617857587,0.450904815,0.476321647,0.568919941,0.428610919,0.298196087,0.279239934,0.320810444,0.304658351,0.258773259,0.360714865,0.257887927
4405,C35 H56 N2 O6,3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone Esi+9.478021,622.3875,9.478021,0.561748987,0.714180317,0.290671805,0.666047732,0.475685093,0.782126151,0.436274249,0.397469578,0.54896529,0.216737852,0.436569207,0.350424349,0.53227581,0.310555034
4406,C40 H50,Anhydroeschscholtzxanthin,530.387,9.5479965,0.416104983,0.356073705,0.52868926,0.448168385,0.385552615,0.443154193,0.393042502,-0.559312174,-0.596673933,-0.514740251,-0.560645102,-0.587708783,-0.637450152,-0.508933741
4407,C37 H64 O14,Kurilensoside J Esi+12.935034,754.4115,12.935034,2.072068666,1.920543518,2.262777154,2.070040646,2.148729052,2.001282061,2.147731284,3.005129687,2.737082568,3.324905198,2.918465391,3.085168234,2.788323068,3.144912902
4408,C44 H55 Cl,C44 H55 Cl,618.4005,11.275975,0.205951593,0.254761405,0.162196047,0.179761189,0.156047546,0.310069203,0.147592513,0.326522799,0.411234468,0.225463264,0.404256038,0.192416945,0.569336056,0.169972146
4409,C16 H4 N2 O20 P S,C16 H4 N2 O20 P S,606.8797,12.422039,1.612976647,1.783489352,1.520537381,1.684375745,1.572567605,1.68068209,1.659156708,0.697239108,0.780942258,0.597382718,0.738654546,0.624953674,0.739801695,0.66979744
4410,C25 H34 O6,Budesonide,452.2178,10.514995,0.932422865,0.913970409,0.940427592,0.91242913,0.910863554,0.846833841,1.01358353,-1.183386654,-1.016615286,-1.382341971,-1.062772389,-1.271213038,-0.943873296,-1.337809741
4411,<none>,<none> Esi+10.467019,509.8288,10.467019,0.748840264,0.490939321,1.013254788,0.592321931,0.810532877,0.505536258,0.857703462,0.922791972,0.796809635,1.073086691,0.894429976,0.924453653,0.806374946,0.997850318
4412,C38 H65 O8 P,"PA(20:4(5Z,8Z,11Z,14Z)/15:1(9Z))",679.4334,6.5090036,0.365650418,0.587746446,0.062258161,0.380595135,0.239310782,0.621153579,0.169163738,0.155154389,0.299812966,-0.017420755,0.210771761,0.056396815,0.360616521,0.022685383
4413,C25 H33 N26 O4 P S5,C25 H33 N26 O4 P S5,952.1522,13.655025,0.790822979,0.720509604,0.697011179,0.858381675,0.416266852,0.591306774,0.741539328,-0.324201554,-0.350812045,-0.292455704,-0.333134441,-0.331568707,-0.248142758,-0.373239461
4414,C25 H50 N2 P S,C25 H50 N2 P S,441.3136,10.535982,0.453856456,0.421910719,0.402725306,0.593182139,0.260212648,0.400767234,0.379549475,-0.192328641,-0.177027363,-0.210582797,-0.201151504,-0.206083923,-0.144151002,-0.223390539
4415,<none>,<none> Esi+4.7469983,377.8531,4.7469983,0.391759458,0.237625338,0.61939916,0.30028561,0.402168786,0.36828167,0.350078977,-0.205109313,-0.160664972,-0.258130631,-0.157812764,-0.248043143,-0.171507805,-0.226773443
4416,C38 H73 N O8 P,"PC(18:2(9Z,12Z)/12:0)",684.4568,13.339037,0.871567653,0.724319105,1.168372576,1.030168492,0.776268758,0.738434223,0.905101848,0.656565141,0.563613632,0.767454659,0.753711037,0.546414718,0.679739544,0.641623749
4417,C14 H Cl N O13 P S5,C14 H Cl N O13 P S5,616.7499,11.972982,0.493716499,0.463427599,0.595872885,0.499904368,0.555909912,0.57810938,0.497341552,0.323125894,0.35175353,0.288973627,0.336070246,0.280808316,0.377622106,0.287990179
4418,C31 H50 N3 O9,C31 H50 N3 O9,608.3541,12.982976,1.847194709,1.690701437,2.013581164,1.815043944,1.891872532,1.748271509,1.93229575,2.249131785,2.082753859,2.447617733,2.199329627,2.297389897,2.134774291,2.322862275
4419,C22 H41 N15,C22 H41 N15,515.3661,7.795018,0.744601295,0.673295432,0.877642398,0.895151434,0.545608455,0.761266477,0.697164249,-0.446780558,-0.368953503,-0.53962687,-0.483293994,-0.419391165,-0.37924971,-0.490320184
4420,C20 O20 P,C20 O20 P,590.873,9.167991,0.076226843,0.060968186,0.2121896,0.210970619,0.089193772,0.265907136,0.045235933,-0.172131809,-0.103463342,-0.254052086,-0.301585113,-0.014067031,-0.310751388,-0.08275866
4421,C21 H40 N O4,cis-5-Tetradecenoylcarnitine Esi+13.673027,369.2873,13.673027,1.974938644,2.05541051,1.867002701,2.015427376,1.972397079,2.164436836,1.92695434,-0.790814317,-0.867412111,-0.699434492,-0.804031558,-0.754076855,-0.853078807,-0.750670106
4422,C32 H63 N2 O6 P,"PE-Cer(d14:2(4E,6E)/16:0) Esi+10.825999",601.4398,10.825999,0.143725435,0.119084458,0.091675191,0.195003942,0.044951986,0.044895824,0.164545523,-0.036125909,-0.01356558,-0.063039986,-0.00643947,-0.105662045,0.085144227,-0.114313234
4423,C22 H41 N O2,"Anandamide (20:2, n-6) Esi+14.199967 :1",351.3136,14.199967,1.144660802,1.163601318,0.921197811,0.947615316,1.243040415,1.151293184,1.081860232,-0.737884318,-0.823194711,-0.636110515,-0.687580882,-0.812166893,-0.796296318,-0.700223949
4424,C21 H2 O20 P,C21 H2 O20 P Esi+10.833007,604.8885,10.833007,1.308001698,1.231383967,1.341979718,1.364186362,1.174862115,1.203270828,1.346629383,1.066355006,1.118552567,1.004084232,1.11438329,0.962466111,1.093512369,1.048845654
4425,C25 H43 N6 O P,C25 H43 N6 O P,474.324,14.278021,0.406784298,0.564741858,0.196075788,0.489047742,0.239306168,0.229642221,0.423081414,-0.152708582,-0.2886226,0.009434457,-0.213608141,-0.078441133,-0.116880184,-0.17580847
4426,C40 H60 O6,Mactraxanthin Esi+15.260987,636.4343,15.260987,0.344974203,0.233284147,0.612282488,0.548596652,0.222365872,0.415168614,0.355771968,0.375063758,0.247123259,0.527694529,0.435913359,0.28018896,0.306478093,0.419283463
4427,C29 H46 O4,"2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone",475.3646,12.729003,1.028465231,1.064073428,0.776784209,0.98631137,0.832755697,0.980934799,0.929683487,-0.689291194,-0.775731543,-0.586169374,-0.744059465,-0.590231347,-0.769117662,-0.637824128
4428,C23 H17 Br2 Cl O3 S,CAY10592 Esi+10.547023,565.8935,10.547023,0.987006031,0.984596026,0.932043456,1.248242532,0.632813556,0.922186951,0.90926767,-0.620555105,-0.668674318,-0.563149728,-0.655943461,-0.595285365,-0.519922262,-0.685436806
4429,C32 H51 N O10,"b-D-Glucopyranosiduronic acid, (3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl",609.3487,5.3499885,0.297317276,0.35788391,0.217646869,0.310425694,0.253495123,0.54261326,0.139047831,0.204321918,0.258232016,0.140008116,0.238126031,0.134414107,0.374162476,0.094819453
4430,C9 H16 N6 O4,Decarbamoylneosaxitoxin Esi+7.4610248,272.1261,7.4610248,0.410615834,0.325511008,0.398030621,0.356687531,0.314198991,0.258210435,0.424178941,0.257854115,0.244543364,0.273733608,0.298046541,0.201258967,0.201928472,0.293911438
4431,C29 H47 N O7,Mycinamicin VII,520.3195,8.808991,0.851283842,0.934095766,0.618287402,0.849179187,0.598156365,0.984017212,0.658568128,0.469504909,0.594802792,0.320026733,0.541579307,0.343186206,0.645394834,0.356102194
4432,C21 H40 N2 O2 S,Kalkitoxin thioamide alcohol,384.2776,13.84003,1.165987213,0.937698701,1.345336566,0.985271439,1.239667934,0.854691949,1.290465105,0.827266973,0.730988107,0.942125972,0.778678418,0.874053649,0.689199612,0.916284088
4433,C7 H8 O2,"4,6-Heptadiyne-1,3-diol",124.0523,7.087008,0.100921098,0.041512948,0.146625186,0.06678051,0.278810303,0.196903503,0.107133505,0.095981935,0.055785703,0.143935334,0.056114011,0.149495757,0.177649771,0.043327672
4434,C47 H73 N O17,Amphotericin B,940.5151,13.0129595,1.140358026,0.783525753,1.640968442,1.147161045,1.186136425,1.01457828,1.262108721,0.556702602,0.416158907,0.724368765,0.58084905,0.525218474,0.505678162,0.589599938
4435,<none>,<none> Esi+13.556958 :1,762.0327,13.556958,0.165685284,0.297622167,0.181911813,0.276314174,0.082097498,0.141255185,0.03504131,-0.006999741,-0.06531374,0.062567838,-0.005124105,-0.023395953,0.017834118,-0.023011044
4436,C23 H6 N2 O23,C23 H6 N2 O23 Esi+10.396978,677.9354,10.396978,0.468337585,0.611935115,0.279224101,0.393317442,0.492072231,0.590830891,0.407954311,0.250829367,0.359631501,0.121030331,0.268289489,0.200091042,0.369961327,0.174020603
4437,C37 H72 N O8 P,PE(16:1(9Z)/16:0),711.4842,11.252999,0.573486282,0.501192311,0.706402659,0.722229992,0.473150916,0.475883638,0.568114767,-0.383935754,-0.24445193,-0.550337509,-0.351255822,-0.450355316,-0.215292253,-0.492666433
4438,C39 H75 N O8 P,"PC(18:2(9Z,12Z)/13:0)",698.4833,12.479984,0.20408018,0.214528672,0.103185704,0.242358144,0.010631787,0.117557645,0.104639659,-0.086006724,-0.071310274,-0.10353933,-0.066979634,-0.137718395,-0.022531411,-0.126931596
4439,C21 H35 N O,Funtumine Esi+12.989012,334.2981,12.989012,1.266688786,1.577836117,0.791091381,1.268075124,1.154554919,1.557573371,1.095910447,-0.429670424,-0.569031092,-0.263415593,-0.423888672,-0.417379385,-0.55046999,-0.351786493
4440,C8 H12 N2 O,C8 H12 N2 O,152.0948,0.8739974,0.631822939,0.831525214,0.248883746,0.747142922,0.46902572,0.850016927,0.374093747,-0.304447832,-0.486911476,-0.086771905,-0.34592432,-0.252274771,-0.482066716,-0.189930393
4441,C41 H67 N O15,Leucomycin A4 Esi+14.268011,830.4771,14.268011,0.126100806,0.055115301,0.533034435,0.185053049,0.129170701,0.213349575,0.155309527,0.190492548,0.032290424,0.379224906,0.228595566,0.11435042,0.190028825,0.190791526
4442,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.4239964,272.1616,6.4239964,1.430881473,1.617057029,1.2265189,1.47620905,1.408152469,1.578973941,1.399258534,0.964376248,1.030427937,0.885577743,0.979652271,0.919992413,1.122552669,0.862394082
4443,C39 H47 N5 O5,Jubanine C,664.3453,13.970965,0.893969308,0.527348515,1.219474248,0.759866047,0.865787601,0.767036279,0.919708958,0.680219658,0.468014403,0.933376803,0.628980884,0.750776016,0.594549618,0.735454288
4444,C45 H73 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",852.4873,13.991967,0.58395375,0.7513995,0.307422663,0.589340367,0.534376308,0.536324304,0.55789561,-0.561466784,-0.772661766,-0.309514875,-0.581111464,-0.552919394,-0.553562849,-0.566562742
4445,C25 H50 N16 P,C25 H50 N16 P,604.3977,13.167983,2.066542046,1.882446303,2.144835401,2.056894186,1.994762867,1.85729912,2.115584169,3.151148383,2.961294304,3.377640967,3.149791893,3.136949049,3.008289437,3.243254808
4446,C41 H64 N4 O8,Antanapeptin C Esi+13.927001,740.4724,13.927001,0.241300469,0.434996791,0.122401065,0.229043049,0.185979209,0.208187076,0.195596606,-0.102485987,-0.302352112,0.135950794,-0.061502231,-0.176604317,-0.107217453,-0.099435437
4447,C13 H20 O2,"(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one",225.1728,8.258026,1.09089655,1.081118331,0.636040974,0.988633892,0.948974566,0.885001483,1.073227574,-0.406575566,-0.519891098,-0.271392124,-0.410172445,-0.414822674,-0.382136845,-0.42233211
4448,C18 H38 N12 O4,Arg Arg Arg Esi+12.8879595,486.3096,12.8879595,1.348607771,1.309035024,1.477365848,1.422157546,1.326479623,1.397573601,1.328664739,-1.102841482,-1.088974106,-1.119385018,-1.15021581,-1.047219242,-1.061478733,-1.12950957
4449,C24 H41 N O,5-Decanoyl-2-nonylpyridine,376.345,13.270016,0.70794405,0.836313618,0.406826468,0.65478931,0.698613632,1.060595649,0.419408642,-0.268028116,-0.368874768,-0.147719831,-0.254841921,-0.287163361,-0.455599979,-0.147093626
4450,C37 H70 N O10 P,PS(15:0/16:1(9Z)),736.5006,8.183985,0.030312242,0.137736258,0.304292771,0.066201055,0.017607502,0.246826379,0.147327304,-0.017505376,0.069426387,-0.121213443,-0.00600536,-0.026905569,0.103449453,-0.09548941
4451,C29 H55 N11 P,C29 H55 N11 P Esi+15.19403,588.4362,15.19403,0.737945041,0.748224009,0.546060648,0.569556822,0.771705863,0.501901492,0.732637883,-0.4494011,-0.478967464,-0.414128946,-0.359087247,-0.576482915,-0.363887745,-0.504534711
4452,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+9.637966,870.5512,9.637966,0.513308103,0.702911193,0.281632075,0.512243319,0.352801328,0.770097335,0.347002228,0.283730385,0.39332124,0.152990416,0.358493638,0.157433741,0.475022707,0.160397177
4453,C39 H69 Cl N7 O S,C39 H69 Cl N7 O S,718.4957,12.508038,0.144769206,0.215961546,0.019004048,0.207246252,0.024369957,0.044520767,0.131063148,-0.013605383,-0.043531318,0.022095732,-0.011680334,-0.034330973,0.035545152,-0.045294544
4454,C13 H18 O5,"Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate Esi+7.31701",254.1167,7.31701,0.206122017,0.305962996,0.040477099,0.260157653,0.167095257,0.004341745,0.302101953,-0.214411357,-0.274415247,-0.142827768,-0.167066045,-0.291735125,-0.000246369,-0.352491415
4455,C32 H42 N2 O2,Docosahexaenoyl Serotonin,503.3524,16.595964,2.416117099,2.426021008,2.197557093,2.431808521,2.292365622,2.406911916,2.325759233,0.825483755,0.879423686,0.761134364,0.842931259,0.798714733,0.837214686,0.817920392
4456,C52 H93 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/21:0)",973.6628,13.604003,0.881322742,0.826184763,0.746506557,0.945615369,0.533667912,0.720300034,0.811487927,-0.366019671,-0.398826754,-0.326881396,-0.390274741,-0.358406727,-0.309349083,-0.402557287
4457,C49 H93 O14 P,6-Ac-Glc-GP(18:0/20:0),953.6487,9.614012,0.363461596,0.280121678,0.407576325,0.482803536,0.175918671,0.210355798,0.361254297,-0.167786595,-0.114381648,-0.23149776,-0.164355339,-0.195355178,-0.056381993,-0.239613247
4458,C18 H30 O3,C18 H30 O3 Esi+13.032975,294.2143,13.032975,1.82866925,1.880108861,1.757197449,1.935497438,1.788111849,1.810895585,1.857653674,2.400104312,2.434426661,2.359158353,2.511295337,2.249470507,2.482206425,2.347170055
4459,C18 H36 N6 O5,Istamycin B3 Esi+10.357007,416.2745,10.357007,0.382611532,0.27525641,0.381178702,0.292179206,0.4592706,0.161822499,0.431394717,-0.394792436,-0.250789945,-0.566584881,-0.321487618,-0.517734081,-0.211001266,-0.513289374
4460,C37 H62 O11,Cyclopassifloside II Esi+12.56201,699.4621,12.56201,1.55729147,1.493226,1.503541444,1.515618937,1.448028779,1.455502425,1.552932043,1.468061513,1.466949555,1.46938806,1.496808967,1.403330457,1.46178396,1.472108884
4461,C23 H38,"3Z,6Z,9Z,12Z,15Z-Tricosapentaene Esi+12.291993",331.3227,12.291993,0.083098639,0.062948446,0.200653239,0.191439066,0.003973548,0.249886951,0.043117338,0.171721,0.103531329,0.253070081,0.252483364,0.054837389,0.28794425,0.096787589
4462,C28 H49 N O7 P,"1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-sn-glycero-3-phosphocholine Esi+14.829035",564.3065,14.829035,1.704245372,1.616633709,1.837405529,1.726148397,1.697305283,1.823287072,1.652192085,1.310211396,1.283652067,1.341896209,1.340472183,1.272049564,1.363259961,1.276009031
4463,C20 H32 N6 O7,C20 H32 N6 O7 Esi+9.875,468.2333,9.875,1.379355725,1.288546642,1.43529583,1.265590535,1.420719032,1.356340431,1.361185121,1.806085485,1.706622428,1.924743168,1.748320613,1.86180509,1.806030487,1.806120945
4464,C37 H66 O8,Purpureacin 2,660.4595,11.673003,0.398343954,0.355113292,0.493297999,0.297895185,0.590820098,0.290332154,0.454724777,0.570182833,0.608759407,0.524161658,0.478202694,0.816952623,0.334525429,0.722119844
4465,C17 H3 O21 P,C17 H3 O21 P Esi+13.47198,573.8888,13.47198,1.645487104,1.727242714,1.763050536,1.6839487,1.775238803,1.757858744,1.751513144,0.826138432,0.874288579,0.768696152,0.838178274,0.795127207,0.859697064,0.804501946
4466,C21 H40 N2 O4,N-palmitoyl glutamine,383.2859,8.576016,0.927014639,0.985488638,0.857606563,1.1155611,0.668313775,0.931629723,0.926213661,-0.548456401,-0.577436958,-0.513883104,-0.665743987,-0.397547349,-0.49160009,-0.585113759
4467,C34 H69 Cl N4 S2,C34 H69 Cl N4 S2,632.4495,14.447999,0.117865253,0.263690479,0.167995035,0.174473721,0.021364775,0.058069738,0.100773315,0.000164115,-0.177264265,0.21183306,-0.004010852,-0.006674387,0.02464879,-0.015622057
4468,C25 H27 N5 O5,Ser Trp Trp Esi+13.461977,494.2281,13.461977,0.694350117,0.419514648,0.818471479,0.550868719,0.668632706,0.469077035,0.73930223,0.391229355,0.277697356,0.526671038,0.317269826,0.495298324,0.261741117,0.474715192
4469,C18 H28 O5,Cibaric acid Esi+10.244003,324.191,10.244003,0.23958336,0.108304484,0.360431489,0.04777249,0.568223523,0.053801231,0.342315653,-0.082962874,0.003801589,-0.186471356,0.173608794,-0.453339888,0.122141696,-0.215201347
4470,C20 H37 N8 O,C20 H37 N8 O,405.308,10.536989,2.554868489,2.507746731,2.772816636,2.629835975,2.727238165,2.496168756,2.72511821,3.012046887,2.774613679,3.295300537,2.784005355,3.307807518,2.71882465,3.201098065
4471,C18 H4 N2 O13 P S2,C18 H4 N2 O13 P S2 Esi+11.977032,550.8893,11.977032,0.317873255,0.187940743,0.558702959,0.289284039,0.306131077,0.439622011,0.302310942,0.163706189,0.132853453,0.20051296,0.179849255,0.121923181,0.235597498,0.117355212
4472,C14 H22 O4,C14 H22 O4,254.1515,7.3249836,0.700656439,0.747195419,0.542154016,0.617945976,0.618476455,0.794028265,0.583383093,0.303123274,0.355725854,0.240369319,0.341895262,0.241413922,0.416901239,0.229766428
4473,C39 H65 O8 P,"PA(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))[U]",691.4349,7.7640133,0.944244763,0.813334622,1.101140867,0.985653109,0.886749399,0.769315801,1.019296577,-0.58378303,-0.442237975,-0.752643797,-0.537840673,-0.665292538,-0.410738892,-0.695350961
4474,C19 H41 N O2,C19 H41 N O2 Esi+10.9099865,315.3132,10.9099865,0.604090552,0.695887921,0.422856134,0.828959463,0.204310867,0.819293813,0.381815157,-0.125498619,-0.155805414,-0.089343144,-0.174711414,-0.047866956,-0.186191727,-0.086367536
4475,C12 H14 O5,"1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione",238.0812,3.9879913,0.989155167,1.093521381,0.745198945,1.018731152,0.840046186,1.313359616,0.726168443,0.748316353,0.873595609,0.598860397,0.807643296,0.650054973,1.098431997,0.522583897
4476,C19 O16 P S2,C19 O16 P S2,578.8367,6.8580046,1.489295463,1.419990001,1.496344563,1.322882604,1.651498545,1.360539484,1.493971833,1.047933548,0.902996285,1.220841159,0.874786606,1.275603098,0.864756867,1.166034302
4477,C33 H55 N2 O2 P S,C33 H55 N2 O2 P S,574.3873,13.444022,0.163336048,0.108011361,0.119577605,0.006754564,0.332498671,0.12574092,0.276544879,0.026639275,0.047606308,0.001625973,0.140917498,-0.161609043,0.184741557,-0.075295091
4478,C25 H36 N O6,"Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl Esi+10.072017",463.2777,10.072017,0.77755372,0.764945362,0.699974448,0.812687065,0.668707646,1.047476638,0.567757392,0.732734991,0.743864275,0.719457951,0.758982891,0.664680458,0.948318834,0.593740145
4479,C19 H20 O5,Acutilobin,328.1322,6.4229856,1.337426215,1.398104353,1.044042678,1.347985165,1.077396703,1.472894023,1.136968107,2.562576966,2.743615904,2.346600689,2.735347948,2.294751937,3.042458165,2.253179877
4480,C13 H24 N7,C13 H24 N7 Esi+8.423981,278.2091,8.423981,0.055385638,0.09779462,0.13961555,0.142240268,0.127159226,0.237380913,0.16398366,-0.053338311,-0.107976812,0.011844461,-0.134153563,0.059118668,-0.225114063,0.057411845
4481,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+9.166014",320.1237,9.166014,0.084757691,0.206847726,0.094750992,0.20234968,0.136211472,0.16129612,0.009962899,-0.126207168,-0.218228528,-0.016427299,-0.260971294,0.072917509,-0.294596845,-0.017640138
4482,C32 H64 N6 O4,C32 H64 N6 O4,592.47,16.05498,0.835673836,0.961585116,0.541827969,0.86026062,0.706157473,0.887307411,0.702437317,-0.759516332,-1.000618789,-0.471885331,-0.757698905,-0.772209201,-0.888761379,-0.676187289
4483,C16 H O19 P,C16 H O19 P Esi+13.663027,527.8868,13.663027,0.324765917,0.431660756,0.029450544,0.371040007,0.198299831,0.179994606,0.264721196,-0.101912525,-0.152035732,-0.042116417,-0.068409137,-0.161073095,-0.017099225,-0.156594784
4484,C12 H20 O3,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate Esi+7.909025",212.1411,7.909025,0.317098808,0.195478152,0.46982886,0.058661755,0.746039814,0.10730185,0.607969463,0.202863852,0.104281725,0.320470601,-0.056047955,0.565135319,-0.13596252,0.421317698
4485,C24 H28 O5,"(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone",396.1938,13.001972,0.172830203,0.397881379,0.297647805,0.043429661,0.290770749,0.289104567,0.009927708,-0.03604581,-0.120285771,0.064450987,0.028039328,-0.115947209,-0.096166575,0.002716263
4486,C24 N O16 P,C24 N O16 P Esi+12.94603,588.8942,12.94603,1.610374323,1.614865215,1.633363058,1.54537437,1.684780712,1.627946236,1.650837607,0.864166231,0.898234069,0.823523898,0.872900929,0.837162163,0.898175137,0.842239437
4487,<none>,<none> Esi+10.905024,701.4662,10.905024,0.167491114,0.046650614,0.285677984,0.25036298,0.044112776,0.066708926,0.252790781,-0.11706515,-0.035828359,-0.213979216,-0.119324098,-0.139406752,0.011236462,-0.199785926
4488,C20 H32 O8,Cincassiol B Esi+11.582014,400.2094,11.582014,1.973612363,1.654713721,2.380200061,1.860056036,2.192388297,1.852224775,2.090874423,2.446521539,2.108468633,2.849812724,2.287424193,2.664423617,2.274230961,2.557603622
4489,C19 H40 O3,"1,2,4-Nonadecanetriol",316.2973,15.543962,0.794686763,0.945033339,0.281400432,0.756767068,0.636055909,0.827120128,0.591804701,-0.464092932,-0.618727196,-0.279616968,-0.490729858,-0.442335119,-0.544329656,-0.41236136
4490,C46 H80 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",837.5559,13.677001,1.56664045,1.602602498,1.407082319,1.539549365,1.499853632,1.492704685,1.583288301,1.732531406,1.89075576,1.543772527,1.783331566,1.634893735,1.808723622,1.683407477
4491,C40 H73 O10 P,"PG(16:0/18:3(6Z,9Z,12Z)) Esi+15.37598",743.4884,15.37598,0.557160572,0.748837806,0.284184098,0.600096853,0.437137804,0.460754417,0.578978663,-0.285744224,-0.456999435,-0.081439763,-0.297279579,-0.281113781,-0.231743487,-0.320560489
4492,C51 H87 O13 P,"PI(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",938.5874,16.829044,1.229742687,1.359466344,1.056205872,1.327671464,1.333589444,1.417876542,1.185079608,-0.604232367,-0.746687492,-0.434285902,-0.580697618,-0.647173326,-0.625769285,-0.590346722
4493,C34 H68 Cl O2 P,C34 H68 Cl O2 P,574.459,15.291015,1.595089132,1.658683431,1.386050494,1.618370621,1.41302378,1.485472722,1.563796325,-1.455501193,-1.659065971,-1.212651985,-1.504059267,-1.381060991,-1.502674373,-1.425086906
4494,C28 H32 O7,Anthothecol,480.2206,10.654029,0.907043837,0.815992981,0.993090355,0.967912569,0.858490142,0.65262835,1.007929584,-0.764824376,-0.771009258,-0.75744592,-0.713502617,-0.849655408,-0.570143242,-0.890342476
4495,C9 H15 N O,C9 H15 N O Esi+6.697014,153.109,6.697014,0.789417388,0.848621193,0.682599418,0.85006276,0.678162306,0.794517662,0.745781553,-0.230414217,-0.24091875,-0.217882494,-0.216105186,-0.24925623,-0.20134492,-0.249156264
4496,C12 H12 N4,MeIQ Esi+4.9860015,212.1047,4.9860015,1.2629678,1.406462965,1.235692789,1.422856876,1.339379284,1.436151618,1.317694583,-0.706626785,-0.814144667,-0.578359838,-0.728967576,-0.665797365,-0.795644218,-0.649233966
4497,C25 H40 O6,Simvastatin acid,436.2772,14.309025,0.762596108,0.708493974,0.62098403,0.749193458,0.597202836,0.559320035,0.755984679,-0.940996125,-0.913285817,-0.974054036,-1.010217138,-0.864574312,-0.804992689,-1.02868255
4498,C39 H68 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) Esi+10.760008",726.4911,10.760008,0.882004672,0.880433856,0.811912783,0.998105612,0.644007824,0.625178576,0.917193312,-0.409581184,-0.417877699,-0.399683586,-0.406045997,-0.430555207,-0.249178255,-0.512998861
4499,C30 H36 O4,Sophoranone Esi+11.020014,460.263,11.020014,1.303534253,1.209525059,1.238942651,1.141219619,1.37358838,0.801286689,1.52479748,1.388567816,1.408891321,1.364322231,1.221250107,1.610564187,1.037004486,1.615233647
4500,C26 H46 O4,C26 H46 O4,422.3403,14.749019,1.786310501,2.068349342,1.468838555,1.778857872,1.827409986,1.833750195,1.783412738,-1.472885585,-1.675159659,-1.231576165,-1.396723008,-1.579206253,-1.416520165,-1.509226449
4501,C31 H52 N2 O5 S,Valnemulin Esi+8.827012,581.3871,8.827012,0.845447433,0.849530654,0.922676347,1.050639853,0.575509504,0.847469766,0.827383498,-0.521928557,-0.477161435,-0.575334948,-0.625836961,-0.397475334,-0.421766769,-0.586506551
4502,C21 H39 N O4,N-Oleoyl-L-Serine,391.2667,7.7419753,0.977448869,0.933845084,1.072717134,1.114142668,0.786897386,0.94043087,0.97242794,-0.518162088,-0.442027274,-0.608989585,-0.558623868,-0.481128187,-0.431187895,-0.574237554
4503,C10 H12 O3,Propyl 2-furanacrylate,180.0764,3.8649933,0.809726702,0.744010001,0.844999001,0.768727026,0.764137929,0.908835781,0.720780219,0.608759965,0.509995743,0.72658395,0.619853627,0.628796859,0.667589419,0.570830449
4504,<none>,<none> Esi+14.367977,974.4526,14.367977,0.519603394,0.810396335,0.015992272,0.585780098,0.229035633,0.889695876,0.213276689,-0.323937965,-0.599354037,0.004628578,-0.459476125,-0.12023775,-0.633042013,-0.124647197
4505,C30 H63 N O7 P,Hexanolamino PAF C-16 Esi+13.827956,562.3994,13.827956,0.166947504,0.140120062,0.061796819,0.090608925,0.152934092,0.010676533,0.270546579,-0.072877097,-0.053808201,-0.095625955,0.005322562,-0.183295216,0.096720951,-0.182223207
4506,C27 H48 O9,"27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol Esi+12.337972",516.3305,12.337972,0.681240942,0.491430066,0.866796257,0.567126038,0.718180649,0.669884571,0.702757544,0.740862142,0.604951576,0.903001061,0.758102036,0.713958253,0.812971126,0.694370823
4507,C25 H27 Cl N2,Meclizine,390.1868,5.52001,0.508084877,0.253638466,0.844107609,0.404553971,0.733261337,0.277114868,0.679663707,-0.32281726,-0.133316892,-0.548887875,-0.178361277,-0.542803814,-0.090742852,-0.472444181
4508,C8 H14 O3,Propyl levulinate Esi+4.012009,158.0941,4.012009,0.909022683,0.904373031,1.000948129,0.958793288,1.066943118,0.99840921,0.886790302,-0.578610404,-0.565220866,-0.594583889,-0.534542727,-0.651808166,-0.513555035,-0.620553998
4509,C35 H58 N4 O5 S,Prostaglandin A1-biotin Esi+7.178983 :1,668.3951,7.178983,0.659212116,0.925269696,0.229529247,0.651795235,0.481171437,0.913332738,0.433215485,0.261072493,0.42588057,0.064459349,0.304066699,0.178679444,0.444956515,0.14251569
4510,C27 H52 Cl N2 O P,C27 H52 Cl N2 O P,486.3507,14.434025,0.017244026,0.07351312,0.370405088,0.150858943,0.044179817,0.02147667,0.148384926,0.062145436,0.017455569,0.115459663,0.130114148,-0.062237286,0.072361426,0.05555881
4511,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+9.472005",490.309,9.472005,0.295630186,0.337159209,0.469213425,0.294974083,0.288125151,0.572024747,0.212678395,-0.445379081,-0.324801114,-0.58922648,-0.497146869,-0.38440089,-0.672735244,-0.298794186
4512,C13 H26,6-Tridecene Esi+10.20603,199.2297,10.20603,1.294045844,1.057328653,1.435981905,1.239792119,1.280180956,0.982512845,1.429654285,0.612964157,0.526401696,0.716231655,0.594673546,0.652184232,0.528226016,0.667597959
4513,C6 H13 N3 O3,Argininic acid,175.0972,4.221005,0.647796286,0.458496279,0.761462564,0.37823564,0.814092937,0.414656282,0.657695857,-1.02750029,-0.82205482,-1.272593131,-0.760092871,-1.4089135,-0.92211349,-1.095447042
4514,C22 H30 O3 S,Deacetylspironolactone Esi+6.4530025,374.1922,6.4530025,0.071713747,0.157593201,0.395863031,0.043699697,0.153263729,0.087046738,0.163124507,-0.158773184,0.030489965,-0.384560801,-0.132846455,-0.195673303,-0.01618012,-0.250708187
4515,C47 H81 O12 P,"PI(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",885.5708,11.110997,0.98019846,0.924603928,0.950447028,0.98816024,0.801248186,1.092639178,0.827591186,0.752589392,0.793410984,0.703889947,0.831867292,0.604156463,0.948054899,0.626565577
4516,<none>,<none> Esi+7.739012,393.7451,7.739012,0.247462777,0.442537109,0.126247386,0.196589588,0.212260858,0.399539818,0.106677053,0.072345427,0.216115378,-0.099169601,0.066408239,0.056665049,0.181013215,0.002283301
4517,C37 H51 N16 O9,C37 H51 N16 O9,863.4014,5.7860084,1.043354153,1.065843326,0.794544613,0.830640366,1.191047826,0.679366842,1.13446706,1.301885127,1.470197711,1.101091168,1.131349669,1.59542001,1.081699009,1.44384723
4518,C45 H80 N O10 P,"PS(17:0/22:4(7Z,10Z,13Z,16Z)) Esi+12.594975",824.5462,12.594975,0.970853765,0.940978536,1.082068424,0.959618689,0.920010523,1.095930854,0.946093403,0.580386967,0.600042815,0.556937884,0.616852911,0.50072824,0.706875696,0.498835022
4519,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.617976",831.5679,14.617976,1.510819713,1.538088308,1.242766976,1.536962249,1.281936964,1.325631848,1.511002639,-1.399759287,-1.616846615,-1.140777914,-1.38390526,-1.415251458,-1.305492701,-1.460536429
4520,C24 H44 O6,Glyceryl lactooleate,428.3138,14.482968,0.814248246,0.876702167,0.567370021,0.771155254,0.788962513,0.529075602,0.886754635,-0.537056562,-0.646916003,-0.405996177,-0.475161965,-0.638017115,-0.402171103,-0.624022188
4521,C16 H30 O5,"10-hydroxy-hexadecan-1,16-dioic acid Esi+10.177001",302.2088,10.177001,1.084404411,1.049263453,1.178943819,1.056511896,1.072559842,1.034304553,1.040148177,1.096065238,0.955443868,1.263824065,1.116137216,1.067213864,1.096180541,1.095990898
4522,C28 H46 O6,Polyporusterone A Esi+15.485039,478.3267,15.485039,0.837074464,0.798599612,0.76598237,0.776553258,0.74196243,0.562247399,0.828919565,-0.548184445,-0.56869087,-0.523720641,-0.494385201,-0.63137721,-0.388300141,-0.651267747
4523,C23 H52 Cl N5 P S,C23 H52 Cl N5 P S,496.3382,13.55598,0.354857922,0.461239068,0.081737464,0.385424427,0.214020621,0.308127959,0.267245476,-0.148070421,-0.212025842,-0.071772726,-0.13792241,-0.176484697,-0.121619365,-0.165124392
4524,C25 H49 O7 P,PA(22:1(11Z)/0:0),492.3201,15.229003,1.028091192,0.991270974,1.177666321,1.222448243,0.947504587,1.184087172,1.019753669,0.652929614,0.641933943,0.666047256,0.689878143,0.581616805,0.684488234,0.632582608
4525,C34 H46 O18,Liriodendrin,742.273,5.8149996,1.238503267,1.16614643,1.049757216,1.090623094,1.271580284,1.012603485,1.214242662,-1.387623514,-1.425573873,-1.342349402,-1.221249125,-1.650310174,-1.272527359,-1.461830246
4526,C43 H68 Cl N O11,Pimecrolimus,808.4369,13.087966,0.835569504,0.533326361,1.441130809,0.912509399,0.883173499,0.743856102,0.993646318,0.455564658,0.315696675,0.622424707,0.480285038,0.422445826,0.393525176,0.495563798
4527,C29 H36 O8,Bisphenol A glycidylmethacrylate Esi+10.933,512.2394,10.933,1.770007992,1.648520807,1.807513516,1.729348425,1.721886537,1.719739887,1.75223354,2.367691639,2.249435038,2.50876969,2.405178784,2.290112807,2.369691303,2.366402382
4528,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+10.35302,504.2323,10.35302,1.502754731,1.454250811,1.541893716,1.598024806,1.366480474,1.562723057,1.475962234,1.675781044,1.656923937,1.698277243,1.736590062,1.55300613,1.7412402,1.633577115
4529,C47 H85 N O8 P,"PC(22:4(7Z,10Z,13Z,16Z)/17:1(9Z))",839.6305,15.53596,0.495006147,0.537278546,0.408283354,0.49163705,0.494180969,0.620674333,0.434281084,0.358284082,0.359719325,0.356571862,0.362268033,0.355844307,0.395352822,0.334384499
4530,C8 H12 O,"trans, trans-3,5-Octadien-2-one",124.0886,8.551019,0.25578456,0.426292201,0.050770743,0.451202879,0.016685387,0.459366286,0.074496398,-0.106997476,-0.156056786,-0.048470579,-0.174851898,-0.014300455,-0.168960958,-0.067047336
4531,C36 H20 N12 O2 P,C36 H20 N12 O2 P Esi+9.979985,683.1564,9.979985,0.33070716,0.130869772,0.514170091,0.498259174,0.053853819,0.443380132,0.198126956,0.583693398,0.281659145,0.944014963,0.859745402,0.144685345,0.837525729,0.420038342
4532,C40 H60 O6,Mactraxanthin Esi+15.260009,636.436,15.260009,0.479133723,0.352893979,0.736519259,0.691259425,0.348828046,0.585721363,0.436743686,0.432951068,0.297156114,0.594952064,0.48859356,0.3440897,0.39324997,0.458547828
4533,C21 H37 N O5,Tumonoic Acid F,383.2685,8.977024,0.587809606,0.736434168,0.451111467,0.550349597,0.726178983,0.804673052,0.558984369,0.449314767,0.573685313,0.300942888,0.397872881,0.496193454,0.543925959,0.388315446
4534,C43 H60 O12,Goniodomin A,768.406,13.548021,0.767082886,0.5483904,1.004136669,0.918514819,0.52176921,0.851796646,0.65047036,0.612279627,0.447755663,0.80855383,0.732963615,0.423267506,0.658302983,0.582606674
4535,C36 H68 N16 O3 P,C36 H68 N16 O3 P,801.5154,13.930979,0.430500621,0.217876059,0.735723408,0.560682131,0.296681161,0.451791434,0.42617401,0.25998297,0.162603947,0.376154437,0.331333,0.153689714,0.267053857,0.255424109
4536,C38 H60 N3 O11,C38 H60 N3 O11,734.4218,14.240981,1.147328187,1.075883578,1.326517452,1.330016307,1.065526562,1.284514618,1.089528807,0.755271859,0.635704821,0.897913237,0.789439913,0.695176455,0.704952198,0.787714798
4537,C19 H38 N6 O3,C19 H38 N6 O3,398.3004,14.397965,0.716985883,0.736924385,0.573774644,0.588867912,0.686506253,0.617010446,0.66301657,-0.624302776,-0.642589487,-0.60248705,-0.523369504,-0.77418524,-0.617425503,-0.628736807
4538,C48 H91 N O11 S,C24:1 Sulfatide,911.6204,13.990982,1.380256504,1.382147661,1.352774289,1.299477108,1.349811479,1.523244237,1.302653466,0.847858409,0.912567528,0.770661565,0.866193581,0.793211822,1.00618579,0.745778913
4539,C50 H70 O2,2-demethylmenaquinone-8 Esi+13.561021,701.5283,13.561021,0.111864246,0.184270192,0.132959934,0.19719301,0.066952673,0.017714466,0.017593081,0.010579466,-0.022296265,0.049799637,0.034672321,-0.040507422,0.094282865,-0.043387199
4540,C23 H30 O3,Levonorgestrel acetate,354.2191,13.602033,1.564255449,1.565116375,1.283973493,1.48738684,1.471135645,1.496470663,1.468860141,-1.325263261,-1.40316851,-1.232323666,-1.327610671,-1.339998287,-1.40673341,-1.272736454
4541,C18 H39 N,1-Octadecanamine Esi+12.466003,269.3079,12.466003,0.50137442,0.657825138,0.136241961,0.506997145,0.402925743,0.549569502,0.415372847,-0.136380776,-0.198275423,-0.062541548,-0.098834068,-0.177172736,-0.147799317,-0.129018822
4542,C9 H16 N6 O4,C9 H16 N6 O4,272.1252,5.3869987,0.009654419,0.130965713,0.200921508,0.085725425,0.108787203,0.02415285,0.076800539,-0.020758388,0.049468484,-0.104537815,0.015759432,-0.066742218,-0.000795756,-0.033629033
4543,C11 H20 N O11 P,N-Acetylmuramic acid 6-phosphate,395.0636,1.2630004,0.675124384,0.863025055,0.188892408,0.626112766,0.434594014,0.444704789,0.614066558,-0.425281129,-0.589072661,-0.229880704,-0.423420749,-0.407984856,-0.340445485,-0.479977794
4544,C25 H51 N8 O3,C25 H51 N8 O3 Esi+13.84905,511.4076,13.84905,1.030013471,1.036564266,1.015353657,1.093876719,1.05675127,0.899355507,1.164922629,0.731031823,0.705874892,0.761043601,0.733404088,0.707220747,0.604908842,0.812347955
4545,C17 H44 N20 O,C17 H44 N20 O,544.399,10.183011,0.613259386,0.510530426,0.592787117,0.586218959,0.519872155,0.384334898,0.642987878,-0.52351977,-0.420704989,-0.646175999,-0.422289277,-0.705121286,-0.278189439,-0.681693273
4546,C18 H19 N6,CAY10498,336.1895,9.625,0.457386161,0.256230738,0.627883755,0.257559766,0.501902503,0.455152691,0.439197686,0.362050825,0.268717495,0.473395851,0.308346577,0.420554013,0.410563696,0.33077279
4547,C20 H40 O7 P2,Tetrahydrogeranylgeranyl diphosphate,471.2493,6.4739995,1.60965831,1.740821863,1.51057841,1.61035509,1.70559841,1.675430673,1.583400364,1.058287166,0.941308072,1.197841173,0.916320776,1.245055221,0.847986614,1.19387568
4548,C36 H72 N2 O3 P S2,C36 H72 N2 O3 P S2,675.4715,12.643006,0.148395186,0.229040471,0.102483163,0.207368464,0.007667779,0.073075907,0.050394466,-0.012953654,-0.042210918,0.021949749,0.012737968,-0.062068587,0.043079224,-0.049080115
4549,C33 H44 O3,"7',8'-Dihydro-8'-hydroxycitraniaxanthin Esi+12.138983",488.3314,12.138983,0.797285519,0.846210232,0.687339824,0.658752413,1.089546331,0.726234017,0.843684828,0.569198655,0.664502398,0.455502963,0.512898801,0.753539741,0.505459457,0.610293665
4550,C27 N O19,C27 N O19,641.9073,9.595973,0.532799457,0.7177187,0.205717454,0.3861318,0.52738229,0.647467402,0.387563215,0.247296409,0.391634443,0.075103667,0.22812079,0.244673016,0.370346527,0.167961464
4551,C52 H98 O14,"DAT(16:0/21:0(2Me[S],3OH[S],4Me[S],6Me[S]))",968.6675,11.027005,0.56025512,0.531355052,0.506602657,0.424339677,0.561302745,0.672468751,0.431195637,0.257820829,0.285206004,0.225150796,0.250796657,0.237407137,0.373577121,0.183188483
4552,C24 N O16 P,C24 N O16 P Esi+12.94501,588.8939,12.94501,1.66456943,1.688838985,1.774421271,1.674611161,1.758649906,1.727497131,1.749788881,0.816677739,0.844974371,0.782920354,0.826463715,0.787286636,0.846938975,0.797167206
4553,C48 H74 Cl N6 O P,C48 H74 Cl N6 O P,813.5677,13.929991,1.035371037,1.172185595,0.71155119,0.969825666,0.934704893,1.078906071,0.947580515,-0.743700054,-0.930297434,-0.521092653,-0.69889618,-0.755861142,-0.859627326,-0.66895747
4554,C27 H42 N O2,Benzethonium Esi+10.425026,411.3188,10.425026,0.229754668,0.214256092,0.162703896,0.268097647,0.18062023,0.094828042,0.236483931,-0.160629988,-0.124808951,-0.203363856,-0.197294207,-0.130854035,-0.025179818,-0.247959703
4555,C30 H48 O5,21beta-Hydroxyhederagenin Esi+14.590025,488.3477,14.590025,0.265007802,0.24938152,0.202668095,0.271999746,0.20103729,0.149630343,0.259120036,-0.17998009,-0.200455902,-0.155552806,-0.190408775,-0.181214446,-0.123457646,-0.216422193
4556,C31 H66 Cl2 N9,C31 H66 Cl2 N9 Esi+15.085988,634.4753,15.085988,1.048828691,1.017500018,1.024641999,0.921441901,1.073577446,0.953437226,1.017178048,-0.624328179,-0.691178299,-0.544577158,-0.597484566,-0.668604642,-0.630483674,-0.620359504
4557,C24 H50 N2,C24 H50 N2,366.3971,13.417983,1.049668385,1.29738675,0.618069771,0.957850331,1.026865184,1.341533006,0.869709872,-0.265706486,-0.35639074,-0.157521763,-0.242962015,-0.280624884,-0.349021289,-0.211990363
4558,C14 H26 O3,14-hydroxy-5Z-tetradecenoic acid,242.188,16.814959,1.030041769,1.055210153,0.909458975,1.001578226,0.90038803,0.934770419,1.005373848,-0.739467105,-0.866548669,-0.587861029,-0.769105852,-0.685675752,-0.717356247,-0.75372279
4559,C28 H52 O12,"alpha,alpha'-Trehalose 6-palmitate Esi+6.972012",580.3429,6.972012,0.429271485,0.699876697,0.044018877,0.418143025,0.217354916,0.65760616,0.177895373,0.143673845,0.30577946,-0.04971531,0.185533078,0.064418978,0.308161527,0.037622575
4560,C25 H28 Cl2 N4 O10 P S3,C25 H28 Cl2 N4 O10 P S3,741.008,11.677001,0.306618023,0.175721281,0.407749191,0.362586558,0.225273653,0.03973091,0.397220661,-0.090235829,-0.031164219,-0.160707224,-0.077530956,-0.128167085,0.056134252,-0.184606013
4561,C16 H24 O8,Dihydroconiferin,344.151,6.251991,0.933783507,0.804083269,1.125087357,1.004738004,0.943159338,0.97154656,0.943717716,-0.531135799,-0.453007663,-0.624341294,-0.505634971,-0.555288717,-0.469008195,-0.571191754
4562,C47 H87 N O14,C47 H87 N O14,889.6121,14.891046,0.731070233,0.796919582,0.550442547,0.754514665,0.552282979,0.628812489,0.659719328,-0.67625314,-0.884105057,-0.428289449,-0.620059631,-0.75844326,-0.591458562,-0.730923328
4563,C14 H21 N3 O4,Butralin,294.1443,7.31701,0.477837912,0.397335148,0.492697001,0.264828788,0.648526055,0.374781596,0.523726679,0.412491788,0.422418369,0.400649551,0.26636133,0.601191033,0.34483833,0.456110465
4564,C42 H61 N O6 P S,C42 H61 N O6 P S,738.4006,13.689961,0.384763711,0.498666183,0.134419262,0.292445235,0.393734771,0.135098835,0.459836464,-0.282231944,-0.441148391,-0.092647412,-0.174542663,-0.43794518,-0.130717182,-0.379919094
4565,C35 H58 N4 O3 S,Arachidonic Acid-biotin Esi+10.104985,636.4047,10.104985,0.704754999,0.901544873,0.483211179,0.644126594,0.58770746,1.026126213,0.522190276,0.447873831,0.602427974,0.26349345,0.481711571,0.363504991,0.660776541,0.310607611
4566,C45 H81 Cl N2 O4 P S,C45 H81 Cl N2 O4 P S,811.5335,11.916993,0.938003809,0.900961184,1.028702377,0.999595023,0.783233971,1.130331855,0.840598501,0.548605274,0.567767049,0.525745611,0.601062721,0.447859767,0.693512172,0.455178458
4567,C14 H6 N5 O18 P S,C14 H6 N5 O18 P S Esi+11.863021,594.9156,11.863021,0.096419837,0.206380094,0.207416379,0.127586777,0.056027869,0.041880412,0.042123739,-0.027483325,-0.079349589,0.034392219,-0.012686767,-0.068024955,0.038417315,-0.069971895
4568,C8 H18 O5,C8 H18 O5 Esi+3.4810042,194.1151,3.4810042,0.292532731,0.39560902,0.121935984,0.597546541,0.091013936,0.574862093,0.094479552,-0.358914697,-0.36271453,-0.354381564,-0.698476867,0.082368379,-0.616723779,-0.192695685
4569,C49 H86 N2 O17,Megalomicin C2 Esi+8.714992,974.5953,8.714992,0.67620145,0.749694579,0.367198066,0.507237261,0.58868792,0.791081875,0.487394094,0.322988974,0.457924828,0.162012868,0.324929573,0.290873589,0.513612454,0.200086994
4570,C37 H57 N4 O2 S,C37 H57 N4 O2 S,621.4274,13.227032,1.446175056,1.543870939,1.192671721,1.585424793,1.258826481,1.486709256,1.362647832,-1.033650603,-1.19309253,-0.843439182,-1.063029036,-1.006747271,-0.948339089,-1.088654079
4571,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.474998",441.3288,9.474998,0.228149687,0.231796658,0.283556184,0.376907067,0.098205052,0.133353581,0.333528128,-0.324406892,-0.282780353,-0.374066623,-0.358736871,-0.247278776,-0.181201012,-0.416736999
4572,C30 H24 O16,Quercetin 3-(2''-caffeylglucuronide),640.1096,13.667982,0.237235367,0.262171963,0.053456951,0.279867313,0.049978,0.140509248,0.22698546,-0.102595954,-0.142850904,-0.054572505,-0.159568602,-0.049450505,-0.111719898,-0.096713412
4573,<none>,<none> Esi+7.3089914,507.6527,7.3089914,0.403229013,0.319123296,0.221028765,0.074789855,0.549659827,0.368701852,0.299472869,0.207907544,0.220810757,0.192514236,0.127837401,0.314565109,0.243849421,0.184734491
4574,C36 H71 N2 O6 P,"PE-Cer(d16:2(4E,6E)/18:0) Esi+13.728023",329.2525,13.728023,0.04809524,0.068933171,0.303177029,0.031979279,0.109954511,0.128067617,0.11245358,0.124446911,0.038482395,0.227001071,0.127501052,0.103735258,0.151303729,0.107131332
4575,C36 H60 O7,Ginsenoside Rh3 Esi+12.3059845,626.4155,12.3059845,1.70446252,1.72106146,1.731960189,1.696289732,1.749688079,1.673705456,1.768249304,0.998113926,1.058484361,0.926093055,1.03039163,0.938942171,1.014353726,0.987643528
4576,C33 H48 N4 O6,L-Urobilinogen Esi+12.867983,596.3583,12.867983,1.297021061,1.561960377,1.043150579,1.174318928,1.523755646,1.454023579,1.351169286,1.653414461,1.869296464,1.395871018,1.538065286,1.847562568,1.740630889,1.597182816
4577,C9 H14 N6 O4,C9 H14 N6 O4 Esi+5.3540034,270.1218,5.3540034,0.825487101,0.570612586,1.19818305,0.729976591,0.824628576,0.556879361,0.989246691,0.394528592,0.289297508,0.520067429,0.383014457,0.397375007,0.325867152,0.438797152
4578,C38 H73 N29 O,C38 H73 N29 O,951.6556,13.677982,0.419391742,0.516095302,0.179706257,0.525697449,0.229743319,0.269780449,0.43371229,-0.201443142,-0.327826152,-0.050670428,-0.275400264,-0.120755783,-0.073220315,-0.284113122
4579,C22 H45 N21 O2 P,C22 H45 N21 O2 P,666.3796,8.202019,0.409220032,0.361028729,0.441919355,0.262362273,0.356705364,0.301743215,0.336173921,-0.438629108,-0.32782926,-0.570811383,-0.332090294,-0.597926487,-0.32995669,-0.50869422
4580,C41 H72 N O10 P,"PS(13:0/22:4(7Z,10Z,13Z,16Z)) Esi+10.029024",768.4822,10.029024,0.115537078,0.121282158,0.424018574,0.133543432,0.195784266,0.023760923,0.211307696,-0.031189782,0.141498688,-0.237204098,0.02328057,-0.142179207,0.130093712,-0.135175193
4581,C31 H61 Cl N11 O P,C31 H61 Cl N11 O P,669.4536,13.525952,0.646235223,0.700699525,0.702454967,0.503043738,0.819029014,0.67587535,0.73598168,0.412380669,0.472725239,0.340390656,0.394535253,0.419697768,0.454218932,0.385406
4582,C30 H63 N O9,C30 H63 N O9,581.4498,15.24505,2.053844014,2.272058366,1.805131385,2.226657126,2.126346762,2.367732821,2.025501544,-1.888105312,-2.064618316,-1.677528395,-1.800499891,-2.012490041,-1.804955413,-1.941715116
4583,C15 H25 N5 O20 P4,N1-(5-Phospho-D-ribosyl)-ATP Esi+12.512959,718.9964,12.512959,0.015332039,0.134284695,0.208008475,0.033210536,0.007254799,0.096477828,0.022684516,0.060085355,0.003420748,0.127685236,0.076392931,0.019730889,0.125746991,0.017750878
4584,C27 H55 N8 O6,C27 H55 N8 O6 Esi+10.146979,587.4237,10.146979,0.011718343,0.043457927,0.063644527,0.055941258,0.126810282,0.165349937,0.005272085,0.036248103,0.03324369,0.039832314,0.047669823,0.003667302,0.146255622,-0.034677798
4585,C43 H73 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",748.5038,10.741969,0.73900826,0.687413661,0.719742981,0.834068,0.651451563,0.57664734,0.798267405,-0.424290795,-0.364960619,-0.495070653,-0.383575304,-0.504923168,-0.261312337,-0.529369011
4586,C23 H24 N7 O,C23 H24 N7 O,414.2609,11.021978,0.095422265,0.076233668,0.637399636,0.135205318,0.164463006,0.142095952,0.473608248,0.05507364,0.011575997,0.106965565,0.060301423,0.041562948,-0.020193878,0.103601382
4587,C28 H50 O4,"ergosta-3beta,5alpha,6beta,25-tetrol",450.3681,16.38402,0.790385558,0.851617599,0.575202352,0.785414377,0.662521036,0.789473067,0.685018164,-0.439790851,-0.606028296,-0.241472496,-0.464476058,-0.410731858,-0.49106663,-0.406731468
4588,C32 H50 O6,Acinospesigenin A Esi+14.45295,530.3636,14.45295,0.292277175,0.22843848,0.313390341,0.159295834,0.315598699,0.220673856,0.318151486,0.629566804,0.601700104,0.662811289,0.608183169,0.673971236,0.624885637,0.632584925
4589,C16 H29 N O4,C16 H29 N O4 Esi+7.4530025,299.2076,7.4530025,0.124010964,0.092350804,0.330351274,0.091391021,0.403306469,0.110081169,0.273704811,0.063589274,-0.00391955,0.144126116,-0.019182332,0.186093886,-0.047293571,0.135079529
4590,C28 H48 N O7 P,C28 H48 N O7 P Esi+11.19498,541.3195,11.19498,1.340045394,1.542578167,0.997241122,1.408967033,1.253862217,1.433975042,1.247358126,-1.823508901,-2.145923639,-1.438873776,-1.842030754,-1.776170419,-1.993647809,-1.713814079
4591,C47 H83 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) Esi+8.655022 :1",418.7754,8.655022,0.49807405,0.407183285,0.676325547,0.660538455,0.300026423,0.351996379,0.508271513,-0.241734031,-0.162835649,-0.335858416,-0.25986333,-0.236388946,-0.131035654,-0.313105352
4592,<none>,<none> Esi+13.488023 :1,784.0462,13.488023,0.0982506,0.231711369,0.266024668,0.199872007,0.138408454,0.059894118,0.030668835,0.005698786,-0.040568483,0.060894826,0.005361421,-0.008931088,0.043844327,-0.018895049
4593,C24 H28 O7,3-Isomangostin hydrate Esi+9.729003,428.1842,9.729003,0.363968151,0.325897112,0.450215021,0.435708889,0.288282047,0.235278894,0.504010755,0.227009326,0.237223132,0.214824435,0.263391852,0.15933774,0.180330541,0.257104858
4594,C21 H7 N7 O18 P,C21 H7 N7 O18 P,675.9591,10.395997,1.052561407,0.919864313,1.18718552,1.245395887,0.755062989,0.909463517,1.069722709,-0.564313965,-0.499877066,-0.641186055,-0.614047922,-0.520278613,-0.432360175,-0.649389435
4595,C32 H65 N3 S4,C32 H65 N3 S4,619.406,11.807006,2.008525147,2.033084913,1.877020208,1.958675291,2.036155163,1.832474137,2.108046712,3.317929373,3.416313562,3.200558762,3.250469471,3.370677453,2.986873883,3.531373045
4596,C23 H42 N3 O3,C23 H42 N3 O3,408.3213,14.825985,1.22333984,1.252328541,1.248719225,1.201758063,1.285937015,1.243690036,1.195071014,-0.982206748,-0.995451531,-0.966405955,-0.865381394,-1.140635885,-0.959796853,-0.996655233
4597,C27 H48 N10 P,C27 H48 N10 P,543.3792,14.958986,1.592338453,1.772789309,1.390968438,1.659026538,1.568685246,1.675472804,1.551543291,-1.489146652,-1.803740325,-1.11384192,-1.462232191,-1.554179964,-1.531896504,-1.461584248
4598,C12 H24 N6 O4 S,Arg Cys Ala,348.1611,9.595976,1.642296199,1.379773121,1.885836936,1.476336654,1.865332311,1.342808386,1.80447289,2.001664068,1.78760521,2.25703253,1.863831343,2.284434198,1.766236605,2.153452827
4599,C35 H66 N O8 P,PE(14:1(9Z)/16:1(9Z)),659.4462,10.906988,0.126472744,0.117248789,0.122785457,0.237428725,0.019243079,0.003972608,0.162961615,-0.134334705,-0.110765503,-0.162452349,-0.204443848,-0.057822604,-0.016864614,-0.210072
4600,C34 H34 N4 O5,C-13(2)-Carboxypyropheophorbide a,577.2432,14.565973,1.466638504,1.612610008,1.176377543,1.558781863,1.307397705,1.579548668,1.361486085,-1.412798124,-1.563781997,-1.232677013,-1.506995659,-1.273643037,-1.624336399,-1.276411605
4601,C34 H54 O8,"(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside Esi+11.375982",590.3864,11.375982,1.785061965,1.766220972,1.632846848,1.719879121,1.761170267,1.598640393,1.811010083,1.447397414,1.521049313,1.359531991,1.412694171,1.466224296,1.362057612,1.502419129
4602,C15 H22 O5,Bisbynin Esi+9.041993,282.146,9.041993,2.130924108,2.034439767,2.172270822,2.048419241,2.232897225,1.965166257,2.227044947,3.563183561,3.275512816,3.906369713,3.303554187,3.888022724,3.286989091,3.741256312
4603,C28 H54 N16 O3,C28 H54 N16 O3,662.4546,14.396977,0.005291272,0.000531247,0.103830164,0.088977683,0.014136484,0.197832746,0.051664,0.166016871,0.126434142,0.213238372,0.201133454,0.09512721,0.23968566,0.118519888
4604,C4 H8 O,"2,2-Dimethyloxirane",72.0572,10.90097,1.151471977,1.027511116,1.431439596,1.153376428,1.207146496,1.015495545,1.248796075,0.449587526,0.383947604,0.527894801,0.455441795,0.451034735,0.367421455,0.502563019
4605,C33 H71 Cl3 N4 P,C33 H71 Cl3 N4 P,657.4645,11.001975,0.636836081,0.591415043,0.53713488,0.636941808,0.480800653,0.354068668,0.634735491,-0.344621107,-0.30598642,-0.390711611,-0.324794296,-0.3912505,-0.179176363,-0.451289428
4606,C40 H70 N O9 P,"PS(P-16:0/18:4(6Z,9Z,12Z,15Z)) Esi+9.691002",738.4713,9.691002,0.502907757,0.663569652,0.261665841,0.500302173,0.405678666,0.672937353,0.394570762,0.277736935,0.411500602,0.118159227,0.343872685,0.161903262,0.437437802,0.174771903
4607,C27 H42 N4 O4,Hovenine A Esi+12.837976,486.3187,12.837976,0.565642959,0.711532599,0.396587822,0.683434639,0.424991181,0.758504672,0.449225603,-0.504794123,-0.618548467,-0.369087187,-0.548175483,-0.404215627,-0.645375855,-0.414155901
4608,C43 H72 O5,"DG(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]",685.566,14.693048,2.578300944,2.72610661,2.461269655,2.7229868,2.645909755,2.781092755,2.566788497,-2.524388683,-2.693752201,-2.322340977,-2.551614836,-2.477316588,-2.550066654,-2.507833148
4609,C21 H28 O8,3-O-Methylniveusin A,408.176,9.100982,0.772825977,0.788556334,0.702399699,0.823473532,0.616038775,1.131529352,0.444729666,0.696432763,0.715050886,0.67422167,0.75663312,0.577773631,0.960973546,0.525873575
4610,C21 H10 Cl N O3 S4,C21 H10 Cl N O3 S4,484.2893,7.1080055,0.469151801,0.216555276,1.009578154,0.053916101,0.92728313,0.27312827,0.730685142,0.286580687,-0.104070637,0.752620863,0.019646037,0.675360028,-0.095934725,0.533202466
4611,C38 H63 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)",678.4344,15.242977,0.020281277,0.078494219,0.164933638,0.140325846,0.188036139,0.022691595,0.067916458,0.054800855,-0.014476911,0.137448015,0.011533198,0.100422251,0.003458822,0.087902956
4612,C5 H15 N4 O3 P,N4-Phosphoagmatine Esi+4.5070066,210.0867,4.5070066,0.651333388,0.515582338,0.698747195,0.397668858,0.810974948,0.400377738,0.735927622,0.783941117,0.654292709,0.938609392,0.699551613,0.92117505,0.660260857,0.863682337
4613,C32 H4 N3 O14 P,C32 H4 N3 O14 P,684.9433,10.836008,0.63923747,0.733381028,0.502301746,0.650622063,0.510085948,0.883527317,0.495219682,0.314725363,0.402424196,0.210102194,0.370475595,0.21336516,0.483840417,0.205690658
4614,C15 H24 N6 O5,His Asn Val Esi+8.672004,368.1812,8.672004,0.909492115,1.133675612,0.742969299,0.942477471,0.940007815,1.140975655,0.75537154,0.679907372,0.801083982,0.535345804,0.690214658,0.635154595,0.805576264,0.598884008
4615,C30 H55 N12 O P,C30 H55 N12 O P,630.4381,15.2150345,0.09003167,0.061225233,0.433580944,0.280444889,0.028765345,0.067835468,0.229008847,0.135798156,0.017221231,0.277258346,0.24514511,-0.035570551,0.067944098,0.179546167
4616,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+4.736007",214.1188,4.736007,0.17518987,0.332867882,0.058661263,0.334158001,0.038925211,0.293851485,0.13844038,0.39708338,0.643638517,0.102947427,0.593473069,0.089744529,0.658463783,0.228561805
4617,<none>,<none> Esi+12.163019,533.834,12.163019,2.368122992,2.394306317,2.262207083,2.375944753,2.345112384,2.344940391,2.352579824,1.577819731,1.676272929,1.460366795,1.602839361,1.525404387,1.614543955,1.554142271
4618,C31 O14 P,C31 O14 P,626.9018,10.006009,0.759692148,0.669882535,0.755193766,0.62367323,0.816475522,0.573799904,0.777064762,0.310314144,0.324427694,0.293476926,0.277531563,0.359918274,0.28241796,0.328299841
4619,C27 H46 N2 O2,Solanocapsine,429.3456,12.680985,0.836869343,0.875079153,0.617690974,0.63995562,0.954675039,0.618266616,0.916599066,-0.738260781,-0.901942022,-0.542991933,-0.622808435,-0.898316063,-0.714090852,-0.753844025
4620,C9 H12 O2,"2,6Z-Nonadien-4-olide Esi+5.093008",152.0834,5.093008,0.715142166,0.58268717,0.837653989,0.593048582,0.749501217,0.6955726,0.746527701,0.501262756,0.465115679,0.544385584,0.522054299,0.468636016,0.563783127,0.460953569
4621,C26 H33 N O6,Erythroskyrin Esi+11.029031,472.257,11.029031,0.603907617,0.850137197,0.08924058,0.623439493,0.425253625,0.798261512,0.312598702,-0.073500322,-0.123795987,-0.013498476,-0.082066376,-0.058388612,-0.131057442,-0.036391126
4622,C30 H46 O5,Lucyin A Esi+14.482965,486.3413,14.482965,0.78284602,0.949695484,0.403215861,0.792800278,0.670749219,0.822548445,0.634820664,-0.416478559,-0.554039657,-0.252370583,-0.407139152,-0.445258357,-0.451996227,-0.39357901
4623,C14 H2 O24 P,C14 H2 O24 P,584.8668,12.452961,1.610625819,1.873793395,1.290641298,1.530024335,1.649216719,1.850326797,1.491318557,0.983975995,1.147090838,0.78938285,0.996113849,0.949829887,1.109539064,0.903020859
4624,C25 H42 O8,C25 H42 O8 Esi+13.785962,470.286,13.785962,1.13456345,0.967480618,1.295347159,1.160259854,1.083033417,1.002398312,1.199379237,2.484344532,2.159338606,2.8720709,2.435340419,2.52795879,2.221243498,2.653975462
4625,C21 H43 N8 O3,C21 H43 N8 O3 Esi+10.232989,455.3454,10.232989,0.478200663,0.447112514,0.439399534,0.536548212,0.362186901,0.31795896,0.473324868,-0.212064615,-0.186412009,-0.242667725,-0.183887488,-0.277831865,-0.11243228,-0.276301253
4626,C25 H35 D5 N2 O6 S,Leukotriene D4-d5 Esi+12.729003,518.3245,12.729003,0.944384066,1.032829572,0.604550953,0.804752305,0.793996669,0.859120555,0.811391333,0.583374178,0.702061852,0.441781866,0.583163383,0.568816871,0.64380538,0.544411955
4627,C21 H24 N2 O4,Uncarine F,368.1787,12.107982,1.450660884,1.35753323,1.554265771,1.442648089,1.462940117,1.418329355,1.429740687,1.345248569,1.096102097,1.64247594,1.315083807,1.409858834,1.284316101,1.384533977
4628,C12 H21 N O6,C12 H21 N O6,275.1374,0.87600267,0.037615777,0.179456622,0.039842433,0.665641624,0.465365172,0.556762409,0.267117025,-0.003098656,-0.058512105,0.063008617,-0.147924721,0.197330726,-0.173146756,0.10653762
4629,C33 H65 N O6 P S,C33 H65 N O6 P S Esi+12.424009,634.4258,12.424009,0.930759839,1.077410237,0.80014175,0.888667554,0.907122042,1.014740385,0.918504568,0.536139367,0.638228327,0.414349028,0.565642474,0.468395036,0.651044239,0.462055962
4630,C19 H17 N2,Sempervirine Esi+5.0069985,272.1279,5.0069985,0.258156622,0.327862336,0.070824946,0.274572673,0.094035574,0.772973128,0.100493795,-0.109115767,-0.187057259,-0.016132933,-0.129686845,-0.075334902,-0.419817251,0.091204927
4631,C27 H46 N6 O7,C27 H46 N6 O7,566.3433,13.833986,1.350066042,1.147706315,1.546679053,1.271749306,1.372991074,1.357027735,1.38029729,1.720860003,1.475157139,2.01397921,1.709011929,1.715068057,1.733926776,1.712435373
4632,C11 H20 N7 O,C11 H20 N7 O,266.1725,4.8969855,0.197503639,0.095648743,0.212703464,0.246032996,0.258650223,0.26428654,0.155844529,-0.253210241,-0.037771142,-0.510225307,-0.104513313,-0.485619878,-0.14802955,-0.321024108
4633,C26 H42 N2 O6 S,Leukotriene D4 methyl ester Esi+11.347986,510.2805,11.347986,1.203953897,1.026828703,1.474609506,1.16416535,1.233458534,1.193435325,1.233920838,1.641171228,1.447193958,1.872582709,1.655042253,1.592647459,1.618062886,1.656070028
4634,C13 H14 O8,D-Prephenyllactate,320.0522,2.8820024,1.104073576,1.021843687,1.102808172,1.038860213,1.213247176,1.02397488,1.145233907,0.495278562,0.5635221,0.413865218,0.460476414,0.564411722,0.512829513,0.483962817
4635,C13 H22 O4,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one Esi+10.177001",242.151,10.177001,0.315599776,0.22418826,0.380879614,0.26112606,0.29041703,0.300476784,0.30757441,0.352444568,0.283962889,0.434142009,0.381049596,0.319119172,0.384232348,0.331949815
4636,C41 H70 O12,Chikusetsusaponin Ia Esi+15.884021,776.4688,15.884021,0.047904162,0.104035307,0.229670446,0.080414234,0.205120873,0.072463905,0.03981295,-0.045062987,-0.154141609,0.085065896,-0.10044624,0.094289516,-0.09912265,-0.01020873
4637,C60 H108 O6,"TG(15:1(9Z)/20:1(11Z)/22:2(13Z,16Z))[iso6]",946.7869,8.18701,0.202251036,0.174171985,0.501702304,0.312631018,0.230990297,0.092602242,0.305020175,0.001988742,-0.007907598,0.013794902,-0.051645087,0.072852787,0.028356773,-0.015011699
4638,C43 H72 N3 O12,C43 H72 N3 O12,822.511,14.456037,0.283541645,0.426862057,0.020620076,0.258840971,0.223136513,0.196355313,0.247627473,-0.202696075,-0.413365073,0.048628343,-0.160579445,-0.285482674,-0.191460221,-0.209940244
4639,C14 H30 O3,"8,8-Diethoxy-2,6-dimethyl-2-octanol Esi+12.293966",246.2177,12.293966,0.759066359,0.896962041,0.490880724,0.763654675,0.64304916,0.906611639,0.617703494,-0.44500061,-0.57320757,-0.292051956,-0.488404562,-0.399349609,-0.572141291,-0.363028329
4640,C24 H34 O4 S,17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate Esi+6.628016,418.2168,6.628016,0.408261201,0.232282049,0.594827618,0.393543528,0.435874264,0.370331764,0.390473422,-0.36402628,-0.259864526,-0.488289425,-0.33319781,-0.421424735,-0.370556353,-0.359816101
4641,C8 H6 O,"xi-2,3-Octadiene-5,7-diyn-1-ol",118.0415,1.242002,0.971968013,0.910617175,0.98265346,0.872614405,1.110615136,0.83107149,1.021261445,0.381694219,0.393806564,0.367244403,0.322475222,0.476048794,0.348521793,0.403081704
4642,C20 H31 F O3,"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one Esi+6.2430096 :2",338.2302,6.2430096,0.50250894,0.313998622,0.761417789,0.463172934,0.481009269,0.328185776,0.53699419,-0.233256489,-0.126025125,-0.361181626,-0.183711653,-0.321400667,-0.118664761,-0.307137998
4643,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+11.362038",382.161,11.362038,0.612919545,0.548703925,0.629291149,0.748714758,0.347616906,0.788020668,0.490035889,-0.423099337,-0.41820282,-0.428940797,-0.524680455,-0.246899446,-0.553338086,-0.339129617
4644,C28 H55 N O7 P,"PC(20:2(11Z,14Z)/0:0) Esi+11.400978",570.3486,11.400978,0.965322765,1.126305882,0.757403899,1.014700092,0.820325464,0.880326032,1.014814296,0.883101704,1.054467358,0.678665486,0.948967822,0.76579646,0.851130047,0.903715009
4645,C37 H50 O9,Pimelea factor P2,638.3472,7.229987,0.077469156,0.130416383,0.352312167,0.002915643,0.205597561,0.157131804,0.223526649,-0.115498627,0.079393162,-0.348001112,-0.001133549,-0.294378907,0.106124255,-0.258387065
4646,C15 H18 O5,"ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate",278.1129,6.1970134,1.218538724,1.232680255,1.264606192,0.974819587,1.534975769,1.095169153,1.305413071,-0.646488682,-0.658944991,-0.631628524,-0.490429522,-0.860177707,-0.460623335,-0.766322919
4647,<none>,<none> Esi+11.774988,822.0535,11.774988,0.247220726,0.085318283,0.458951317,0.183530366,0.259290092,0.292373702,0.23771245,0.221050765,0.133796743,0.325143281,0.214380532,0.205703257,0.259200603,0.196454158
4648,C7 H10 N6 O2,C7 H10 N6 O2,208.0716,4.46199,1.203927476,0.994740416,1.316079854,0.99344045,1.330156977,0.964207624,1.258723197,1.48080569,1.245383388,1.761660367,1.277992622,1.73683052,1.288209124,1.604979792
4649,C21 H28 O8,3-O-Methylniveusin A Esi+10.98802,408.1762,10.98802,1.902691228,1.689967446,2.00543613,1.862276665,1.888730137,1.704843354,1.944228208,2.308274532,2.060047682,2.60440481,2.206969098,2.451543082,2.191614683,2.383489435
4650,C20 H53 N24 O P,C20 H53 N24 O P Esi+13.87303,675.4597,13.87303,0.918083189,0.626370575,1.257686712,0.924829308,0.802954985,0.846628936,0.900021082,0.572882793,0.420152284,0.755087609,0.591832165,0.544246368,0.556563963,0.583404143
4651,C30 H46 N6 O3,C30 H46 N6 O3,538.361,15.087956,1.300016277,1.478611752,1.012846067,1.36178978,1.214867893,1.278529921,1.265789635,-0.71827607,-0.900232661,-0.501205049,-0.696398706,-0.770240844,-0.694984454,-0.733293033
4652,C28 H26 N19 O15 P S,C28 H26 N19 O15 P S,931.1292,12.745036,0.001256909,0.019686064,0.075298804,0.028267567,0.109631393,0.181554706,0.074551681,0.075252276,0.063532799,0.089233406,0.087201212,0.033368997,0.160770973,0.020115221
4653,C17 H32 N6 O4,Pro Ile Arg Esi+13.757022,384.251,13.757022,0.326173613,0.041873532,0.767892669,0.210370696,0.463432358,0.211358148,0.414715111,0.200348609,-0.018435082,0.461353713,0.13046709,0.305954702,0.102345418,0.263534877
4654,C20 H23 N O27 P,C20 H23 N O27 P Esi+13.636977,740.0196,13.636977,0.505236613,0.606672281,0.155054634,0.636769062,0.181187116,0.44118075,0.391259458,-0.172506413,-0.239061174,-0.093107751,-0.187684002,-0.165286989,-0.142497843,-0.191854044
4655,C23 H32 N4 O4,Nummularine F Esi+9.333007,428.241,9.333007,1.421852041,1.476520722,1.396341332,1.577619907,1.342090822,1.48440995,1.413362949,-0.813763371,-0.830929289,-0.793284732,-0.85587155,-0.75911471,-0.778404003,-0.836560858
4656,C24 H40 O6 S,Lithocholic acid sulfate,473.2828,5.9250093,1.029327293,0.805777219,1.285698671,1.041657946,1.088349229,0.738037314,1.22455693,-0.681508261,-0.472852297,-0.930431166,-0.592048941,-0.822206606,-0.407088621,-0.858436713
4657,C41 H61 N O2 P,C41 H61 N O2 P,630.4452,14.544985,0.45082539,0.501121921,0.178973625,0.311180096,0.430135992,0.345789299,0.366829041,-0.480593781,-0.625073994,-0.308231422,-0.398186674,-0.617313207,-0.478123479,-0.482186476
4658,C29 H63 N8 O4 S2,C29 H63 N8 O4 S2,651.435,12.200992,0.052183602,0.024141764,0.153025863,0.034489989,0.081919156,0.293945557,0.011875374,0.084794478,0.096568228,0.0707486,0.133922008,-0.004220983,0.272031168,-0.035923914
4659,C27 H42 N10,C27 H42 N10 Esi+13.783991,506.3711,13.783991,0.615190753,0.231767413,1.036249634,0.688813726,0.426079909,0.613499816,0.591494055,0.336637103,0.187727632,0.514283489,0.375839642,0.278908567,0.343673483,0.332100489
4660,C25 H49 N2 O3 P,C25 H49 N2 O3 P,456.3483,10.23501,0.205828865,0.27922999,0.052669284,0.237041459,0.05790048,0.258319188,0.151920683,0.17483587,0.258225382,0.075353645,0.20927962,0.095406361,0.246995669,0.128311789
4661,C28 H63 N30 O3,C28 H63 N30 O3,867.567,12.990982,0.748552954,0.702119272,0.876397588,0.797570225,0.743817466,0.862526678,0.721488276,0.528112573,0.542808933,0.510580073,0.577647168,0.433796161,0.631170082,0.4616676
4662,C9 H12 O2,"2,6Z-Nonadien-4-olide Esi+5.092",152.0865,5.092,0.623316852,0.432008749,0.783533863,0.427083021,0.744062381,0.494658148,0.71366662,0.592530938,0.491713802,0.712804014,0.534557597,0.66719033,0.555999281,0.616084244
4663,C24 H32 O9,Renillafoulin A Esi+6.366984,464.1998,6.366984,1.042370359,0.906813082,1.057406433,1.081853588,0.905701004,0.834696037,1.06035666,-0.910147487,-0.891532356,-0.932355011,-0.879249701,-0.967507486,-0.837272757,-0.95713251
4664,C14 H20 N7,C14 H20 N7,286.1787,11.989991,0.139964451,0.115934416,0.290674215,0.283050795,0.041304486,0.215329818,0.128850986,0.240681968,0.210737576,0.276405102,0.370328129,0.002867196,0.306258384,0.198402437
4665,C35 H54 O13,Evobioside Esi+12.038994,682.3573,12.038994,2.05727708,1.98483465,2.098029779,2.100541794,1.985482648,2.074265949,2.027382396,2.000365498,1.94640526,2.064739116,2.073683018,1.878513616,1.999673654,2.000811556
4666,C28 H46 O5,Polyporusterone F Esi+14.593014 :1,462.3326,14.593014,0.412558217,0.351248352,0.374963525,0.4208973,0.337607123,0.229515126,0.43052641,-0.070065698,-0.021612521,-0.127869489,-0.005546173,-0.165129714,0.083627905,-0.169157627
4667,<none>,<none> Esi+11.120028 :1,450.7974,11.120028,1.539818261,1.576252287,1.530870435,1.546072366,1.493344047,1.595056613,1.549337096,0.820268736,0.88475052,0.743343098,0.85078091,0.749238282,0.893119025,0.77329947
4668,C26 H36 O5,"2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one Esi+5.397993",445.2876,5.397993,0.034963848,0.100650225,0.282137905,0.029008106,0.187704796,0.176779944,0.229652595,-0.053477851,0.036526409,-0.160851354,-0.010205497,-0.128988711,0.108074621,-0.157636682
4669,C22 H4 O20 P,C22 H4 O20 P,618.9042,10.965011,0.576350106,0.706434372,0.409216195,0.517323553,0.540224458,0.680242689,0.51307956,0.33380696,0.432713787,0.215812851,0.362291707,0.268160856,0.448322992,0.259974256
4670,C44 H76 N2 O13,Spiramycin Esi+11.18302,840.541,11.18302,0.96246481,0.823699697,1.033946274,0.866396804,0.893405437,0.938607443,0.91095853,0.678851893,0.667893885,0.691924604,0.703669175,0.610221982,0.778143418,0.614834989
4671,<none>,<none> Esi+12.607975 :2,562.7208,12.607975,0.173114411,0.113534814,0.339245528,0.145411179,0.249503368,0.187558463,0.250685917,0.150244228,0.132358523,0.171581561,0.171554019,0.104690107,0.165627869,0.140325828
4672,C32 H56 O5,C32 H56 O5 Esi+16.336964,520.4192,16.336964,1.529954158,1.559687351,1.322709997,1.640619407,1.275593052,1.678382966,1.294957207,-1.621121752,-1.755017778,-1.461386142,-1.682151219,-1.534919409,-1.816333697,-1.495261418
4673,C43 H75 O8 P,"PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+8.588996",749.5129,8.588996,0.653896254,0.574486925,0.780439955,0.832950145,0.36792911,0.600067077,0.614519117,-0.351318396,-0.273815153,-0.443778404,-0.390214502,-0.315224664,-0.256457016,-0.412479022
4674,<none>,<none> Esi+10.159994,472.8098,10.159994,0.506846123,0.61981677,0.35436554,0.424949358,0.605275289,0.52502071,0.506653735,0.28058443,0.387976918,0.152467076,0.295175846,0.255535234,0.365893079,0.225582802
4675,C31 H63 N O8 P,PC(9:0/14:0)[U] Esi+13.409974,585.4373,13.409974,0.493614288,0.68285857,0.316623741,0.41915476,0.487182068,0.307722578,0.673327798,0.742307005,0.938940286,0.507726949,0.832999238,0.557989808,0.759003326,0.731542271
4676,C46 H81 O9 P,"PG(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+10.027002",807.551,10.027002,0.171689753,0.103637995,0.256551901,0.344683376,0.026850096,0.183728181,0.132487151,-0.089426084,-0.012399391,-0.181317577,-0.122001308,-0.052404229,-0.078064823,-0.096751107
4677,C19 H40 N8 O13 P,C19 H40 N8 O13 P,619.2457,6.485993,0.008296561,0.00978649,0.045253806,0.045943966,0.104654054,0.145830059,0.118113657,0.052506943,0.016628331,0.095309498,-0.008548136,0.144787602,-0.0382633,0.111029863
4678,C35 H60 N7 O,C35 H60 N7 O Esi+16.238026,594.4851,16.238026,1.249201562,1.371080413,1.013837962,1.316259134,1.167034248,1.275050854,1.164473782,-1.010793657,-1.255569628,-0.718780218,-0.936624146,-1.127016604,-0.98518853,-1.027302226
4679,<none>,<none> Esi+13.64301,498.6877,13.64301,0.432940679,0.264985357,0.76472327,0.396804941,0.549368978,0.520981548,0.451055125,0.185151718,0.136485007,0.243210251,0.183000606,0.177648866,0.21577874,0.165405349
4680,C27 H58 N10 O S,C27 H58 N10 O S,570.4504,14.320016,0.387691097,0.295021187,0.413290974,0.383676506,0.329238573,0.383153313,0.337206987,0.294978025,0.257821085,0.339305602,0.33448984,0.230893369,0.334484472,0.269506763
4681,C29 H45 N O3,Ecalcidene Esi+10.432006,455.3451,10.432006,1.437862335,1.480696614,1.049855843,1.191185442,1.381435387,1.340029312,1.243755232,2.452735312,2.802737054,2.035189375,2.283115483,2.667996227,2.720622605,2.280018505
4682,C37 H67 N O13,Erythromycin Esi+13.31902,733.4561,13.31902,0.879717684,0.838661645,1.004389602,1.067677427,0.739803686,0.911520624,0.963382542,0.928890691,0.768997337,1.119640657,1.00794959,0.796290452,0.864534531,0.970383478
4683,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+8.719978 :3",427.3099,8.719978,0.491663842,0.368086986,0.477626322,0.453769221,0.396510314,0.419520983,0.447897345,-0.323784419,-0.226871133,-0.439400268,-0.304380538,-0.376808918,-0.280341037,-0.351793967
4684,C17 H17 N3 O,Desmethylondansetron,279.1336,0.8509988,1.325303078,1.310637489,1.31297029,1.445267999,1.188910097,1.291597361,1.340545665,-0.808803476,-0.876198502,-0.728402392,-0.858393878,-0.740517842,-0.864463322,-0.772917522
4685,C20 H26 N4 O,Lisuride Esi+13.769029,338.2111,13.769029,0.1367358,0.100622196,0.410379807,0.266614832,0.040946046,0.509928018,0.101990818,-0.249561018,-0.04365168,-0.495207246,-0.362150797,-0.086905184,-0.590755088,-0.02958063
4686,C36 H70 N O8 P,PE(17:0/14:1(9Z)),674.4757,13.879954,0.391263604,0.282848708,0.457073403,0.383707973,0.303029451,0.281795694,0.408347504,0.354539278,0.306594203,0.411736911,0.410672717,0.258541425,0.331472918,0.36941101
4687,<none>,<none> Esi+11.525967,491.6569,11.525967,1.034318406,1.118903626,0.891783536,1.114813142,0.822640763,1.076751161,0.97304838,0.810756566,0.908540392,0.694102178,0.894701361,0.665108492,0.897268391,0.754979205
4688,C33 H53 N O6,gamma-Chaconine Esi+10.063985,558.3848,10.063985,0.616622163,0.431384033,0.923554536,0.826000333,0.292666893,0.420873124,0.647643583,-0.415773762,-0.27498917,-0.58372731,-0.436534359,-0.384203149,-0.192282821,-0.559866605
4689,C46 H85 O12 P,"PI(P-20:0/17:2(9Z,12Z))",859.5718,13.622008,1.332676334,1.268354847,1.302276019,1.251779958,1.306954699,1.304851709,1.283489412,0.761108672,0.782275692,0.735856789,0.741948689,0.768905988,0.807205457,0.731388376
4690,C15 H3 Cl3 O10 S5,C15 H3 Cl3 O10 S5,606.7562,13.480973,0.438498798,0.346243208,0.67166753,0.420281709,0.549644863,0.5330472,0.458767025,0.246780725,0.219327246,0.279532243,0.24039589,0.239959349,0.272633304,0.230112614
4691,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol",436.3529,15.754954,1.007234195,1.056864342,0.927376706,1.015399526,0.923033143,1.017429375,0.89889676,-0.682163391,-0.823791785,-0.513203201,-0.690383357,-0.6294994,-0.769084249,-0.626122311
4692,C22 H38 O10,xi-Linalool 3-[rhamnosyl-(1-6)-glucoside] Esi+6.7650123,462.2432,6.7650123,0.315166499,0.022920403,0.723418422,0.2616911,0.260427486,0.100938323,0.388035531,-0.229253198,0.012284935,-0.517403953,-0.165745375,-0.334858916,-0.048400434,-0.345855638
4693,C11 H22 N2 O8,Mannopine Esi+6.2769866 :1,310.1393,6.2769866,1.819481693,1.733354397,1.826917223,1.64524409,1.944411512,1.778421038,1.811410434,1.380133432,1.380235676,1.380011456,1.258218526,1.532290497,1.475079608,1.318918134
4694,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+5.447012,170.0941,5.447012,0.593590248,0.658949471,0.228950637,0.594862444,0.501903086,0.629533079,0.49972031,-0.361379676,-0.492903326,-0.204474269,-0.321203878,-0.424336029,-0.382241979,-0.34792898
4695,C36 H64 Cl3,C36 H64 Cl3,601.4022,8.349,0.348155307,0.163804704,0.511711369,0.240348047,0.420136066,0.358215552,0.32146603,0.213610846,0.162019385,0.275158554,0.16968366,0.253514794,0.263198221,0.181640038
4696,C29 H48 O6,Homodolicholide Esi+13.584976,514.327,13.584976,0.372511006,0.651509011,0.036272027,0.434236702,0.254156058,0.427632892,0.280412875,-0.257690286,-0.529297272,0.066332083,-0.326188771,-0.151526779,-0.397283055,-0.167689685
4697,C14 H22 O4,(-)-trans-C75 Esi+7.5019846,254.1514,7.5019846,0.718331932,0.631647555,0.73825773,0.78212817,0.48904011,0.755758023,0.689588755,0.459068134,0.440460692,0.481266486,0.545981553,0.314606721,0.534583842,0.410380375
4698,C18 H23 N5 O5 S,Trp Asn Cys,438.1689,11.729985,1.431955446,1.164140402,1.874289951,1.481732493,1.48558074,1.636400704,1.383938835,1.333275004,1.095468747,1.616973698,1.317765453,1.343011314,1.422854171,1.275520016
4699,C32 H7 N3 O17,C32 H7 N3 O17,704.9774,14.158989,1.548328004,1.496428836,1.647853476,1.415487296,1.708624721,1.362927886,1.707892779,1.047125589,1.025088093,1.073415935,1.040791268,1.05305182,1.008936863,1.071747267
4700,C30 H54 O5,C30 H54 O5 Esi+15.217027,494.3967,15.217027,1.313739492,1.416451511,1.021584611,1.298841123,1.187424439,1.367186379,1.19278876,-0.85936292,-1.031156281,-0.654416456,-0.86526066,-0.875223558,-0.915262479,-0.823322416
4701,C22 H46 O5,C22 H46 O5 Esi+14.853023,390.3339,14.853023,1.195458106,1.073957199,1.339113269,1.196943873,1.289882509,0.967445176,1.386172987,0.684327262,0.610489266,0.772414696,0.628055869,0.74563774,0.532711022,0.782079838
4702,C7 H16 N O3,Carnitine Esi+1.0590019,161.1049,1.0590019,0.965276713,1.013829193,0.737021318,0.970949353,0.823347047,0.898462167,0.86877501,0.688097135,0.849966022,0.494990394,0.695706651,0.692326407,0.701887926,0.679205705
4703,<none>,<none> Esi+12.38698,924.1214,12.38698,0.209941768,0.109479848,0.364513783,0.198323427,0.282451327,0.313784241,0.165827364,0.188562246,0.147115878,0.238007035,0.213098012,0.126544606,0.264208321,0.139790434
4704,<none>,<none> Esi+12.565982,471.6485,12.565982,1.909872242,1.930164876,1.934820226,1.952308816,1.939067434,1.920697101,1.973640278,0.972026228,1.011680333,0.924719576,0.989517396,0.933363864,0.988798945,0.961212239
4705,C12 H16 O5,"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate Esi+8.6629925",240.0996,8.6629925,0.652650379,0.841673987,0.3214766,0.728712475,0.436797246,0.791250553,0.511006566,0.838248393,1.190720401,0.417755471,1.155075653,0.369481852,1.257117725,0.568187903
4706,C49 H87 N O16,C49 H87 N O16,945.6018,14.354984,0.717396652,0.825170421,0.395841801,0.740422018,0.636942223,0.561813011,0.72673349,-0.492088118,-0.65018351,-0.303483089,-0.46238421,-0.560409177,-0.400680866,-0.551021741
4707,C14 H28 N6 O4 S,Ala Arg Met Esi+13.316967,398.173,13.316967,0.90427538,1.050763847,0.828416048,1.146042266,0.757189103,1.096663065,0.826838809,-0.341835411,-0.331182391,-0.354544278,-0.36881991,-0.286622419,-0.3559159,-0.332757202
4708,C6 H8 O2,4-Hexynoic acid Esi+9.520997,112.0522,9.520997,0.878203964,1.031699049,0.514000838,0.992225919,0.593361001,0.926452164,0.807447133,-0.605439514,-0.776887185,-0.400905451,-0.705372867,-0.464291214,-0.608718307,-0.603325556
4709,C23 H32 N4 O4,Nummularine F Esi+10.077981,428.2406,10.077981,0.541416705,0.396267528,0.639676634,0.487990549,0.464597769,0.697467457,0.38679257,0.548860336,0.477417805,0.634090022,0.601437803,0.454536302,0.759212473,0.413238564
4710,C37 H66 O7 S,"2-(9R-(5Z,9Z-tetracosadienoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+11.211005",653.4448,11.211005,0.036429672,0.129475598,0.138937724,0.114690423,0.058429622,0.128270002,0.086803705,0.026645553,-0.000620811,0.059173847,0.03935578,-0.022064796,0.139018873,-0.045805667
4711,C46 H95 O11 P S,PGS,908.6161,12.790022,0.438500684,0.361338178,0.520872667,0.484622287,0.295658208,0.298080616,0.493069793,-0.195904686,-0.182526066,-0.211865145,-0.253978027,-0.132080277,-0.206812593,-0.188871957
4712,C29 H46 F2 O2,"24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3",486.3287,8.345976,0.90155402,0.982881634,0.80468562,1.095865958,0.595505607,1.238975841,0.654004171,-0.646019908,-0.625910897,-0.670009606,-0.789084357,-0.450093062,-0.728157998,-0.593062456
4713,C14 H40 Cl N12 O,C14 H40 Cl N12 O Esi+8.720975,427.312,8.720975,0.463550813,0.304791191,0.57976624,0.435012604,0.431954316,0.280641455,0.513374029,-0.386243566,-0.255122779,-0.542668365,-0.450921044,-0.323715946,-0.336429947,-0.418360241
4714,C19 H24 N2 O,Hydrocinchonine Esi+4.5710006,296.1923,4.5710006,0.519281982,0.415899921,0.542881354,0.465441791,0.315315067,0.32798185,0.58124961,-0.270970467,-0.205808818,-0.34870717,-0.19538549,-0.310709467,-0.153662298,-0.346603365
4715,C12 H25 N O2,12-amino-dodecanoic acid,215.1879,7.681022,0.201968992,0.404110948,0.24673602,0.127615011,0.067293795,0.384739869,0.028278868,-0.033134147,-0.102844955,0.050029625,-0.017430467,-0.047993105,-0.108826247,0.01566734
4716,C19 H33 N O4,Tumonoic Acid A Esi+9.202006,339.2404,9.202006,0.070001655,0.004854821,0.062385188,0.109015459,0.227672431,0.069451395,0.199127248,0.024669369,0.022664919,0.027060642,-0.070792455,0.148151964,-0.033254588,0.062015078
4717,C22 H40 O5,"17,20-dimethyl Prostaglandin F1? Esi+13.84003",384.285,13.84003,0.692643419,0.566177374,0.823597244,0.61975588,0.678700624,0.486149661,0.798504128,0.538807177,0.477274559,0.612214509,0.521233643,0.529875182,0.474575803,0.580219509
4718,C34 H40 N4 O4,Ceanothine E Esi+5.5500064,568.3064,5.5500064,1.020954476,0.957439738,0.953516617,1.14506347,0.951822833,1.227562005,0.800771131,0.649206097,0.678575204,0.614169267,0.655951199,0.642537463,0.734717194,0.594073942
4719,C16 H26 O5,Tetranor-PGD1 Esi+10.332012,298.1778,10.332012,0.028210994,0.002742106,0.107419852,0.04511627,0.05497787,0.126461433,0.087877228,0.03987807,0.100224683,-0.03211438,0.103223855,-0.051281966,0.177278798,-0.048709241
4720,C41 H73 N O8 P,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)",715.5425,14.082016,0.276637438,0.586635236,0.208949426,0.415537273,0.001974465,0.254854961,0.17145423,-0.158516337,-0.427689019,0.162601951,-0.16900225,-0.084416802,-0.114522242,-0.186880951
4721,C16 H26 O2,"(E)-2-Hexenyl (E)-7,9-decadienoate Esi+14.763971",250.1903,14.763971,1.586875748,1.592226648,1.478920374,1.558063,1.598648425,1.351224199,1.676569316,-1.470419532,-1.590804245,-1.326802681,-1.285646685,-1.727271364,-1.160037819,-1.670534057
4722,C16 H2 O18 P S,C16 H2 O18 P S Esi+9.160003,544.8707,9.160003,0.605873812,0.617270691,0.584274042,0.846934051,0.23253394,0.90950794,0.383888339,-0.685969035,-0.631943806,-0.750420185,-0.867528338,-0.453779837,-0.877748776,-0.562321571
4723,C18 H38 O3,C18 H38 O3,302.2819,15.038032,0.045524695,0.026064406,0.21286101,0.074312054,0.097264894,0.0350169,0.055203989,-0.065597644,0.006868582,-0.152048581,-0.117943399,-0.003375213,-0.034374572,-0.085728309
4724,C38 H62 N3 S,C38 H62 N3 S,592.4694,15.123031,1.534572769,1.563359238,1.386040985,1.583225475,1.32090751,1.561071899,1.406851672,-1.401495263,-1.558167461,-1.21458808,-1.435753746,-1.368450081,-1.550035483,-1.305725911
4725,C13 H16 O7,D-Vacciniin,284.0881,5.850995,0.256459758,0.151216465,0.294271452,0.084061689,0.373968635,0.282298298,0.21042906,0.273686091,0.196327708,0.365973283,0.241165476,0.328066658,0.350641324,0.224070216
4726,C14 H24 O4,Monomenthyl succinate Esi+8.682,256.167,8.682,0.08442813,0.091142933,0.22081627,0.039525711,0.100351205,0.028646604,0.127500766,0.104463983,0.023370582,0.201206988,0.120680528,0.075924756,0.118498373,0.095415494
4727,C13 H16 N6 O4,Triciribine,320.1228,6.141999,0.586589201,0.430165597,0.714955193,0.327471064,0.790919809,0.520505826,0.561005742,-0.595855186,-0.431810143,-0.791558044,-0.419747486,-0.866113133,-0.598547406,-0.594119413
4728,C28 H63 N4 O6 S2,C28 H63 N4 O6 S2,613.4371,11.082012,0.686643829,0.633901565,0.648160705,0.731620392,0.699277213,0.570650902,0.672760962,-0.369818053,-0.372437807,-0.366692732,-0.31613477,-0.478968869,-0.302246945,-0.413383636
4729,C38 H62 O12,"(3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside",710.4204,13.834976,0.960363368,0.86172366,1.072640513,0.869169614,1.036180877,0.800365617,1.086959622,0.829280124,0.755360638,0.917464774,0.803014661,0.85853843,0.739221196,0.887344434
4730,C27 H44 O5,Porrigenin A Esi+10.183005,448.3182,10.183005,0.973730805,0.874556535,1.012561602,0.989634772,0.96538868,0.752037354,1.045486669,-0.719755016,-0.609034011,-0.851843232,-0.553072967,-0.976809534,-0.396498013,-0.928170715
4731,C37 H59 N9 O3 P,C37 H59 N9 O3 P,708.4463,12.975024,1.659676415,1.615198979,1.666599251,1.635109451,1.620318608,1.625190855,1.672364718,0.802694661,0.825934812,0.774969568,0.816400206,0.77231669,0.829314082,0.785532139
4732,C14 H24 O5,C14 H24 O5,272.1618,11.800026,0.676249838,1.041646794,0.03523289,0.722948526,0.476502266,0.787022348,0.491620325,-0.665789618,-1.061288416,-0.193966491,-0.771913015,-0.477544383,-0.798517167,-0.580215277
4733,C14 H16 O5,1'-Acetoxyeugenol acetate Esi+5.2239995,264.0973,5.2239995,1.034908041,0.961293868,0.974637985,0.973764107,1.1211822,1.063300249,1.022007456,-0.500019615,-0.596324632,-0.38512942,-0.493667716,-0.498373677,-0.560545,-0.46099667
4734,C44 H74 N O9 P,"PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.647967",791.5194,13.647967,1.331316049,1.079801607,1.691221904,1.334825544,1.334701873,1.234317007,1.397455431,1.390929565,1.134873199,1.696400317,1.40719384,1.36516501,1.290342934,1.455781471
4735,C45 H74 N6 O14,C45 H74 N6 O14,922.5271,14.197018,0.71167659,0.750453108,0.502924608,0.60800905,0.716041197,0.383793498,0.802156986,-0.431561999,-0.540161206,-0.302005049,-0.340422442,-0.575361903,-0.25222144,-0.547189464
4736,C23 H26 N2 O3,C23 H26 N2 O3,378.2029,7.3979936,1.216489193,1.316511701,0.93095624,1.259974011,0.932590871,1.463490081,0.982425981,1.465952044,1.740844875,1.138009718,1.684050092,1.128196226,1.963265125,1.145315978
4737,C27 H36 O8,Prednicarbate Esi+11.327972,488.2362,11.327972,0.692408513,0.676956565,0.599229207,0.617908531,0.62681445,0.528596617,0.668672043,-0.684054722,-0.776088207,-0.574260388,-0.625914868,-0.771713112,-0.627361341,-0.720607033
4738,C28 H41 N O3,N-arachidonoyl vanillylamine,439.3134,8.795015,0.4853028,0.424330552,0.45056241,0.434731215,0.460572605,0.658110422,0.337214955,0.228257909,0.239940197,0.214321143,0.201063081,0.244452296,0.322877992,0.167252855
4739,C16 H24 N2 O14 P2,"dTDP-4-oxo-2,6-dideoxy-L-mannose",552.0577,14.085992,0.326411509,0.515026236,0.101156599,0.448626599,0.033019762,0.362273697,0.207972314,-0.152598613,-0.253628199,-0.032072089,-0.217419891,-0.065366403,-0.18738928,-0.130167788
4740,C29 H41 F2 N5 O,Maraviroc,530.3524,8.412988,0.927267552,1.018607411,0.90777031,1.068938809,0.728708644,1.272910312,0.743914042,-0.86219439,-0.826513426,-0.904761154,-1.056055692,-0.603264831,-1.012395274,-0.765354346
4741,C35 H54 O8,Ganoderic acid Mg Esi+7.0770183 :1,624.3686,7.0770183,0.560337635,0.844482684,0.085494572,0.578527347,0.328220159,0.810967281,0.307363704,0.198644645,0.363668149,0.0017745,0.24834352,0.106761105,0.371410626,0.087256052
4742,C21 H2 N2 O21,C21 H2 N2 O21 Esi+13.297044,617.9151,13.297044,1.492449321,1.517113679,1.642201827,1.493728546,1.611220351,1.550487263,1.608095209,0.72161441,0.74470189,0.694071452,0.731001822,0.695440756,0.745813083,0.706012634
4743,C30 H60 Cl2 N O S,C30 H60 Cl2 N O S,552.3756,13.553971,1.839580433,1.994252915,1.828218705,1.769641317,2.070549014,2.074008411,1.828420242,1.039791249,1.098209297,0.970099542,1.016739932,1.052581581,1.117405363,0.989750569
4744,C30 H61 N8 S3,C30 H61 N8 S3,629.4164,14.763972,0.987971656,1.101553641,0.756127917,1.024489261,0.870360091,0.970355979,0.937986387,-0.65459971,-0.807578812,-0.472098325,-0.645921397,-0.669117693,-0.677235056,-0.640005869
4745,C25 H29 N3 O3,MRE-269,419.223,8.860987,0.660634719,0.913488621,0.383286567,0.703094875,0.487067411,1.045210475,0.400540125,1.080315754,1.344682404,0.764930979,1.216531621,0.845866981,1.564685957,0.768024439
4746,<none>,<none> Esi+7.858008,437.7713,7.858008,0.040134151,0.115151114,0.131396243,0.122362294,0.246606463,0.164407977,0.137931561,-0.059829574,0.078342904,-0.224666915,-0.190893302,0.095156738,-0.157112813,0.002892514
4747,C14 H26 O4,Menthol propylene glycol carbonate,280.1634,6.771982,0.561634834,0.525260515,0.556070848,0.51565403,0.505625686,0.504669346,0.538128594,0.383483257,0.347605465,0.426284834,0.419540999,0.335804909,0.398292846,0.37393497
4748,C36 H47 N5 O4,Indinavir,630.3866,12.851013,0.935772611,1.217206222,0.371146611,0.896639269,0.853965473,1.197704084,0.73880274,-0.63179701,-0.938537548,-0.265860931,-0.623241324,-0.614047323,-0.889832328,-0.465432135
4749,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+8.80602",342.2036,8.80602,0.48692464,0.515322228,0.345768857,0.504371595,0.476921615,0.464401206,0.470788376,0.181159896,0.27355925,0.070929087,0.172366412,0.187612693,0.16584042,0.191036927
4750,C36 H58 O8,Momordicoside I Esi+13.315978,618.4142,13.315978,0.279499302,0.319046744,0.24404725,0.011244379,0.582644624,0.477297993,0.172572284,0.169061981,0.237484237,0.087435431,0.056342389,0.306747099,0.331503037,0.064330248
4751,C18 H30 O2,Acetylenic acids; 17-Octadecen-9-ynoic acid,278.2241,12.62101,1.106802381,1.276876822,0.961855551,1.057516451,1.295098295,1.150700816,1.112009776,0.875124181,0.882368399,0.866481955,0.841372462,0.890744578,0.805112063,0.920263572
4752,C23 H40 O7,2-glyceryl-PGF2? Esi+11.764991,450.2588,11.764991,1.900012135,1.654595379,2.020914433,1.812060413,1.865852666,1.722684028,1.910289144,2.814391908,2.573768739,3.101451127,2.7697758,2.8689819,2.753862019,2.853417757
4753,C13 H18,"1,2,3,4,tetrahydro-1,5,7-trimethylnapthalene",191.1673,7.8540034,1.475035939,1.732002199,1.464053272,1.504498678,1.785712094,1.832243495,1.457111321,-1.008822506,-1.134343612,-0.859078028,-1.061777868,-0.949771208,-1.197841926,-0.886954722
4754,C16 H24 O7,PGDM Esi+5.8780107,328.1498,5.8780107,0.860302975,1.036526433,0.592367456,0.610069039,0.971341159,0.970894937,0.698253346,-0.34735448,-0.448387834,-0.22682346,-0.27138793,-0.418069825,-0.41905458,-0.301126783
4755,C16 H26 O7,"(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside",330.1634,6.2690067,0.216080165,0.023940066,0.592383596,0.129324104,0.56916957,0.241210813,0.547965958,-0.164398792,0.046731272,-0.416273253,0.080263119,-0.521324132,0.188040961,-0.391629685
4756,C32 H48 O5,ZK 159222,512.3453,14.531005,1.196679335,1.308405248,1.16361866,1.22329172,1.384216758,1.338985704,1.147344978,-1.107866128,-1.103890553,-1.112608921,-0.937220585,-1.367136462,-1.002357878,-1.175891185
4757,C36 H50 O6,Prednisolone 21-all-cis-farnesylate Esi+8.451018,578.3629,8.451018,0.355158609,0.614198766,0.002402645,0.364688733,0.266638733,0.59611506,0.217275396,0.148588244,0.302905339,-0.035509343,0.19733262,0.058143312,0.312247739,0.043070937
4758,C39 H72 N O9 P,"PS(P-16:0/17:2(9Z,12Z)) Esi+13.992977",729.4987,13.992977,0.412599552,0.429997809,0.274994649,0.451483861,0.306765407,0.241905999,0.398642679,-0.152399416,-0.154464555,-0.149935742,-0.134286934,-0.197011453,-0.073753121,-0.20310558
4759,C30 H53 O8 P,dolichyl D-xylosyl phosphates,594.3239,7.134005,0.174665658,0.197168412,0.63034435,0.087747508,0.266689986,0.226596565,0.335601707,-0.12281372,0.11343866,-0.404658665,-0.069540594,-0.213265556,0.117559998,-0.277791513
4760,C43 H81 O11 P S2,C43 H81 O11 P S2,868.4934,14.316966,1.226287747,1.100953257,1.348146119,1.204203041,1.278766266,1.205224718,1.253707717,0.766267679,0.721681099,0.819458687,0.744067373,0.791310268,0.756687051,0.772444663
4761,C11 H12 O4,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone Esi+4.2730064",208.0713,4.2730064,0.102707845,0.302935075,0.05004187,0.193525079,0.192855793,0.252162924,0.039710321,0.243245145,0.328821399,0.141154175,0.331871244,0.18358677,0.337635656,0.182388105
4762,C30 H50 N2 O,Nb-Arachidoyltryptamine,453.3807,13.231999,1.494422666,1.526535091,1.400220141,1.420292162,1.509474871,1.404962859,1.514558665,-1.138814906,-1.222923073,-1.038475337,-1.165743449,-1.123358749,-1.188671618,-1.106670447
4763,C30 H58 N O10 P,PS(12:0/12:0),622.3696,13.289003,1.120548167,0.897332005,1.558780351,1.149504227,1.191461079,1.132723468,1.220024717,1.263814687,1.045478068,1.524286442,1.253550973,1.26579682,1.17282976,1.322476021
4764,C24 H45 N O P S,C24 H45 N O P S,426.296,14.03704,0.521888304,0.319747247,0.81889241,0.520500628,0.471544463,0.270957645,0.699144186,0.290427919,0.217193824,0.377794911,0.321713901,0.230791505,0.21170131,0.341185865
4765,<none>,<none> Esi+11.884016,525.6786,11.884016,0.018913288,0.174824003,0.023059037,0.032434644,0.000470028,0.313231502,0.079256066,-0.067232692,0.131873637,-0.30476305,0.010506233,-0.199310611,0.216257735,-0.250009415
4766,<none>,<none> Esi+13.545969,879.1062,13.545969,0.235814512,0.299240433,0.037289217,0.255372767,0.003898926,0.101212996,0.19570775,-0.03469502,-0.081006662,0.020553958,-0.030380722,-0.058063391,0.014132361,-0.066175831
4767,C38 H74 N O9 P,PS(P-20:0/12:0) Esi+10.058011,719.501,10.058011,0.366890657,0.354484899,0.202380733,0.432415015,0.071879915,0.414851956,0.125833986,-0.247991407,-0.217467474,-0.284405924,-0.25018866,-0.266906649,-0.255183163,-0.243354617
4768,C17 O18 P S4,C17 O18 P S4,650.7722,12.280025,0.231717331,0.23981955,0.251600371,0.265022948,0.278457658,0.394804991,0.179751128,0.168409111,0.185482587,0.148040753,0.178232722,0.139245909,0.241494878,0.121288023
4769,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+5.225998",172.1106,5.225998,0.877992414,0.697899566,0.987293342,1.024149315,0.837477664,0.717080954,0.929294729,-0.473058515,-0.41881675,-0.53776799,-0.464662232,-0.476069436,-0.332066932,-0.563960984
4770,C15 O17 P S,C15 O17 P S Esi+10.110008,514.8599,10.110008,0.987865322,0.985311667,0.993739473,1.105432297,0.839290152,0.914917117,0.977120858,-0.530689171,-0.510335623,-0.554970595,-0.499630852,-0.581773834,-0.403152388,-0.612916833
4771,C41 H70 O13,Pseudoginsenoside RT3 Esi+13.962964,792.4638,13.962964,0.599916205,0.514403698,0.816804615,0.639801845,0.628398528,0.712024102,0.558774374,0.428409128,0.39141892,0.472537797,0.466969393,0.366701531,0.472025535,0.400288024
4772,C22 H40 N6 O4 S,Biotin-XX hydrazide,484.2877,6.8959966,0.686455053,0.395188754,1.043754987,0.650975341,0.779703397,0.329172404,0.852607161,-0.536256161,-0.229866732,-0.901773375,-0.440670353,-0.692009279,-0.200072378,-0.753006231
4773,C22 H53 N12 O5 P,C22 H53 N12 O5 P,596.4031,13.978023,0.382856994,0.507729044,0.095737444,0.427819051,0.199650817,0.470336072,0.256651064,-0.152087263,-0.325870094,0.055232605,-0.191855019,-0.090822451,-0.272984754,-0.074140196
4774,C22 H42 N2 O12,C22 H42 N2 O12,526.2752,10.303975,1.375824813,1.11930264,1.473269011,1.345097855,1.138809409,1.543352458,1.134275869,1.351039289,1.229179351,1.496416058,1.455985163,1.185586566,1.682924562,1.137060627
4775,C11 H20 N7 O,C11 H20 N7 O Esi+4.8969855,266.1695,4.8969855,0.327744654,0.072674115,0.670294141,0.33944182,0.335897994,0.262850759,0.364514691,-0.162250572,-0.05430632,-0.291026171,-0.126411408,-0.202307097,-0.099835562,-0.202491829
4776,C21 H33 F O5,9a-Fluorotetrahydrocortisol Esi+5.1979985,401.2617,5.1979985,0.09197927,0.005402078,0.322779095,0.09841945,0.262380489,0.053079933,0.268741916,-0.089854444,-0.000406771,-0.196563948,-0.040255197,-0.175370217,0.047221386,-0.178232282
4777,C42 H62 O11,Avermectin A1a monosaccharide Esi+15.235038,764.4111,15.235038,1.534863831,1.464652964,1.655716251,1.579378282,1.529280323,1.616139534,1.495725167,1.264930343,1.232047039,1.304159547,1.290013725,1.229155847,1.354302586,1.207308765
4778,<none>,<none> Esi+13.879955,485.8366,13.879955,2.065756267,2.14062111,2.073487363,2.122993619,2.127246831,2.234335287,2.056085266,1.229490413,1.301850001,1.143166693,1.259010848,1.173506776,1.323498518,1.168879924
4779,C22 H3 N4 O19 P,C22 H3 N4 O19 P,657.9136,12.718995,1.858843452,1.817285003,1.886815355,1.802552608,1.917378013,1.730640998,1.945220842,0.760004755,0.783113633,0.732436269,0.758788686,0.749154315,0.741171258,0.772147405
4780,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.8959966,228.1326,7.8959966,1.011640358,1.137828349,0.782088982,0.989557822,0.930072065,0.979057055,0.980237298,-0.839250471,-0.89801466,-0.769145824,-0.899987731,-0.767728944,-0.90101274,-0.79943006
4781,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.517987",705.4832,9.517987,0.341966593,0.182656888,0.549665076,0.364362473,0.302733592,0.046439961,0.433951347,-0.187543139,-0.069568519,-0.328284791,-0.135005012,-0.284677872,0.002572405,-0.310117635
4782,C21 H51 N8 O3 P,C21 H51 N8 O3 P,494.3963,14.9709635,1.493485443,1.502470169,1.211442685,1.311015152,1.486900559,1.494594071,1.45526228,-0.903638929,-1.064192066,-0.712101854,-0.771734738,-1.090393816,-0.85649915,-0.934031681
4783,C34 H72 N15 S3,C34 H72 N15 S3,784.498,13.623029,0.972108808,0.904312024,0.984374586,0.72263246,1.124670935,0.73478132,1.047193875,1.081529073,1.041235496,1.129598602,0.999814653,1.158536821,0.960765411,1.159389854
4784,C15 H11 N3 O21 P S,C15 H11 N3 O21 P S Esi+11.249018,631.9334,11.249018,0.150275141,0.03062382,0.243550735,0.006557638,0.220091896,0.231985993,0.083165913,0.182433893,0.156139191,0.213803012,0.180296729,0.15671003,0.287988622,0.114378871
4785,C23 H55 N6 O8 S,C23 H55 N6 O8 S,575.3797,11.955011,1.152530679,1.325937479,1.034988256,1.421876279,0.93884002,1.141639537,1.219707825,0.828945569,0.984405771,0.643484275,0.995734178,0.593846976,0.90117355,0.782377528
4786,C25 H26 O2,"Estra-1,3,5(10),16-tetraen-3-ol benzoate",358.1969,8.938987,0.119984799,0.310546637,0.137914182,0.040499094,0.023336791,0.054699209,0.081802496,0.096785863,0.246375822,-0.081672335,0.128887341,0.033125673,0.124335729,0.079023449
4787,C34 H50 O4,"1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol Esi+10.635988",521.3647,10.635988,0.934078392,0.986392307,0.81695999,0.995465641,0.80187447,0.924838786,0.896621684,-0.801454185,-0.836982602,-0.759069407,-0.739622433,-0.824066426,-0.754209671,-0.831914464
4788,C19 H7 O22 P,C19 H7 O22 P,617.9174,9.604003,0.985381124,0.919908797,1.048650753,1.151213483,0.725020299,0.853168664,0.983517393,-0.532483951,-0.479533193,-0.595653276,-0.569536814,-0.496768582,-0.39787788,-0.619269444
4789,<none>,<none> Esi+8.715979,471.8239,8.715979,1.021470007,1.015070749,1.060819878,1.165481343,0.800103735,1.042284567,0.975702296,-0.589139296,-0.524613743,-0.666117149,-0.655600789,-0.518733479,-0.514791544,-0.637074031
4790,C28 H41 N3 O2,Teleocidin B-1 Esi+12.93701,473.3017,12.93701,2.368340457,2.281157563,2.387228166,2.463716006,2.264358116,2.324778117,2.367839189,1.58380624,1.575761826,1.593403084,1.595766306,1.563533303,1.545269758,1.60865213
4791,C23 H47 N8 P,C23 H47 N8 P Esi+14.590032,464.3592,14.590032,1.196912711,1.299309617,0.887511094,1.30915506,0.955266033,1.194223322,1.085529324,-0.674058116,-0.866623872,-0.444330548,-0.681622796,-0.672323962,-0.679840738,-0.670329847
4792,C26 H45 O9 P,"PG(20:4(5Z,8Z,11Z,14Z)/0:0)",531.2721,11.571024,0.28877054,0.362519851,0.096037966,0.250244226,0.335494258,0.100862695,0.339513708,-0.171911454,-0.274414525,-0.04962709,-0.06261131,-0.349782982,-0.008868206,-0.277031444
4793,C26 H44 O8,Goshonoside F2 Esi+14.055976 :1,484.3042,14.055976,0.128235843,0.196083879,0.613584744,0.078200305,0.228911899,0.073684464,0.219317116,0.241734533,-0.149543105,0.708521889,0.164791839,0.344523426,0.081105666,0.345297881
4794,C6 H9 N5 O2,"2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine Esi+3.7999918",200.1024,3.7999918,0.389391323,0.469976243,0.270808114,0.482828314,0.268374718,0.416275952,0.357301109,-0.344969681,-0.475331866,-0.189449881,-0.396463347,-0.289823964,-0.395365092,-0.312477903
4795,<none>,<none> Esi+13.038023,449.8078,13.038023,1.818535831,1.966987881,1.779595558,1.811666152,1.965693818,1.920757423,1.890846667,0.891701497,0.980694649,0.785534228,0.889442253,0.8794754,0.920288287,0.87327054
4796,C17 H14 N3 O24 P,C17 H14 N3 O24 P Esi+12.642025,674.9704,12.642025,0.291164759,0.418201862,0.015473289,0.440307934,0.06164658,0.265959395,0.209188767,-0.059232782,-0.12529345,0.019576436,-0.058807479,-0.075341151,-0.026784654,-0.080153286
4797,C35 H63 O8 P,"PA(14:0/18:3(9Z,12Z,15Z)) Esi+12.741965",642.4231,12.741965,1.158547094,1.343019499,0.939194675,1.23858816,1.286297483,1.304126493,1.177882349,-0.794168654,-0.889938499,-0.679916908,-0.731540132,-0.872263147,-0.695798377,-0.857591595
4798,C12 H17 N O,Diethyltoluamide,191.1304,8.949978,0.355397217,0.652362604,0.161027651,0.675505388,0.050996366,0.675973139,0.225327183,-0.261978407,-0.356226114,-0.149542546,-0.387500952,-0.094532307,-0.337128403,-0.213526436
4799,C32 H55 Cl N2,C32 H55 Cl N2,502.402,16.157972,1.89360754,1.94343474,1.777653288,1.839469124,1.961917888,1.98793732,1.820780267,-2.01545908,-2.234747768,-1.753851523,-1.885723758,-2.211916175,-2.037976893,-2.000941017
4800,C41 H76 N2 O15,Roxithromycin Esi+14.625981,836.5248,14.625981,0.739892747,0.752356329,0.64691696,0.775198871,0.620799423,0.621716411,0.702848501,-0.522002274,-0.621416121,-0.403403299,-0.47411868,-0.612639793,-0.457509628,-0.563583059
4801,C19 H35 N O4,CAY10580 Esi+9.685033 :1,341.2558,9.685033,0.567811613,0.528536167,0.650614918,0.597901604,0.625598528,0.634527947,0.600271423,0.471332785,0.496034032,0.44186463,0.492276262,0.434600389,0.50184716,0.451659042
4802,<none>,<none> Esi+6.2989917 :1,697.7784,6.2989917,2.022228693,1.924582379,1.959636922,1.92084175,2.084247583,1.889671571,2.043208961,2.488809846,2.641005073,2.307243609,2.337485386,2.697712809,2.481325469,2.493635299
4803,C15 H36 N4 O4 P,C15 H36 N4 O4 P,367.2547,9.909014,0.720727653,0.701612235,0.661470325,0.833606369,0.510179651,0.587561064,0.662749465,-0.665261116,-0.687490041,-0.638742398,-0.779453827,-0.533150334,-0.564454651,-0.730254758
4804,C25 H51 N8 O P,C25 H51 N8 O P Esi+14.773981,510.3919,14.773981,1.259325481,1.367229311,1.00966622,1.219125611,1.19712269,1.225565326,1.215233362,-1.102754764,-1.352089426,-0.805302887,-1.051203037,-1.192056575,-1.091103409,-1.110266822
4805,C29 H40 O8,Lucidenic acid E2,538.2556,11.593995,2.502935615,2.399373598,2.74664561,2.637028903,2.548714343,2.530546786,2.574318282,3.527769581,3.241367255,3.869442531,3.464502598,3.599048299,3.43253105,3.589173371
4806,C16 H6 N5 O20 P S,C16 H6 N5 O20 P S,650.9058,12.252993,1.727031564,1.716600699,1.800064465,1.742444224,1.728948858,1.78403996,1.737748547,0.746209538,0.776383225,0.710212859,0.762690329,0.706084148,0.788781396,0.718761893
4807,C19 H46 N19 O5,C19 H46 N19 O5,620.3952,13.305979,1.11114052,1.236762739,0.928115622,1.029250378,1.144322625,1.050796964,1.118202687,0.546577015,0.671339246,0.397737862,0.520671056,0.578840817,0.545577181,0.547221645
4808,C27 H42 O4,(25R)-3beta-hydroxy-7-oxo-5-cholestenoic acid,430.3082,12.47404,0.264733326,0.344319127,0.067542402,0.287262869,0.102760485,0.538989656,0.024662275,-0.139994949,-0.258519327,0.001402555,-0.132755694,-0.141747859,-0.297379956,-0.038523036
4809,C26 H34 O7,Hydroxystrobilurin D,480.2173,10.954011,0.2276777,0.072730366,0.511367854,0.171308267,0.307274737,0.326855411,0.176962599,0.305567269,0.106158248,0.543458733,0.29405073,0.313272815,0.338225871,0.284511065
4810,C34 H58 O9,"(25R)-5alpha-spirostan-3beta,6alpha-diol 6-O-beta-D-glucopyranoside",610.4077,9.25401,0.380406977,0.388412985,0.334645438,0.640951047,0.041012608,0.561437515,0.265417379,-0.388467734,-0.414197758,-0.357772266,-0.54407309,-0.179809295,-0.428878116,-0.362413672
4811,C29 H59 N8 O7,C29 H59 N8 O7 Esi+10.124018 :1,631.45,10.124018,0.011947262,0.030121436,0.092559319,0.01321884,0.029338623,0.097051609,0.028136349,0.01768733,0.00630529,0.031265904,0.012161628,-0.000940796,0.101749764,-0.036510818
4812,C14 H22 O2,Kobusone,222.162,14.791993,1.572242712,1.748054205,1.509441087,1.656727727,1.543850537,1.717134749,1.538901153,-1.099012868,-1.193092061,-0.986778041,-1.032704727,-1.195030165,-1.113650991,-1.089575131
4813,C55 H79 N3 O4 P S,C55 H79 N3 O4 P S,908.5516,14.954025,0.834421703,0.835875446,0.777122293,0.834849202,0.790887292,1.00951895,0.706248784,0.76854767,0.811211018,0.717651045,0.877693782,0.650793364,1.009087805,0.613462584
4814,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.514997",705.484,9.514997,0.342046189,0.259655457,0.400900751,0.372732317,0.228764384,0.059248655,0.397362775,-0.206871135,-0.110677244,-0.321628759,-0.183802986,-0.263305905,-0.015019423,-0.330565001
4815,C46 H77 O9 P,1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol),826.5067,11.89299,1.135806447,1.031825206,1.19012449,0.99330511,1.161392206,1.063332948,1.151124431,0.72936638,0.727355138,0.731765755,0.726087625,0.699661215,0.784985409,0.693506742
4816,C25 H44 O9,C25 H44 O9 Esi+11.520997 :1,488.3004,11.520997,1.057591684,1.019885964,1.156455422,1.112932118,0.969046142,1.151002907,1.023078874,1.216193245,1.150567164,1.294484009,1.307033405,1.071272271,1.307048624,1.157615435
4817,C33 H44 O2,Reticulataxanthin Esi+14.468995,472.3408,14.468995,1.664713053,1.703807427,1.383161528,1.694243564,1.347830784,1.739426199,1.43634076,-2.079174819,-2.295914084,-1.820608678,-2.158333833,-1.969726411,-2.449027886,-1.840716921
4818,C29 H53 N O7 P,"PC(21:4(6Z,9Z,12Z,15Z)/0:0) Esi+6.968011",575.3872,6.968011,0.56800595,0.393653265,0.825860264,0.676466236,0.47071564,0.382847083,0.643077729,-0.289951218,-0.169721624,-0.433383016,-0.286829759,-0.314223292,-0.159874436,-0.373816512
4819,C14 H8 O2,Anthraquinone,208.0522,10.280024,1.132638296,1.144831024,0.974855538,1.098194911,1.08223756,1.088441114,1.08503626,-0.638648791,-0.657786961,-0.615817289,-0.558945938,-0.748173086,-0.544603129,-0.699283493
4820,C32 H42 N7 O19 P3 S,"1,4-Dihydroxy-2-naphthoyl-CoA",953.1419,12.679997,0.048832424,0.036924648,0.006155803,0.055653182,0.051241191,0.114155683,0.114453815,0.034463457,0.021244004,0.050234032,0.037081293,0.004049732,0.110560581,-0.014599163
4821,C27 H49 N O4,C27 H49 N O4,451.3388,12.871018,0.044958917,0.189036496,0.343709864,0.008021826,0.13825699,0.000713333,0.141110555,0.056125255,-0.108471792,0.252486644,0.001635132,0.147287139,-0.055613736,0.128167499
4822,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.621991,314.2075,9.621991,0.972027819,0.718170863,1.208876194,0.901760539,0.931570916,0.904091287,0.995662587,0.683969927,0.5397689,0.855999222,0.696618963,0.638668553,0.677748364,0.687981198
4823,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.313995",298.1416,6.313995,0.684601026,0.783871759,0.30426761,0.704605007,0.595900794,0.612600831,0.649097181,0.710919091,1.062423629,0.291580344,0.67795015,0.703701435,0.645968195,0.752795327
4824,<none>,<none> Esi+12.492984 :1,484.6723,12.492984,0.053815848,0.03365496,0.280995952,0.031575542,0.188986016,0.075101775,0.133166218,0.077275076,0.055973741,0.102687195,0.095065104,0.039337798,0.111953725,0.054916473
4825,C17 H32 O5,C17 H32 O5,316.2247,12.183992,2.703230792,2.602252541,2.805117799,2.784568404,2.737072885,2.663563253,2.75643689,5.545077535,5.29660853,5.8414967,5.316401321,5.83490341,5.279654279,5.716205687
4826,C34 H47 N2 O4 P,C34 H47 N2 O4 P,578.327,8.08999,0.375844179,0.372250658,0.374845819,0.358740942,0.314211847,0.35096728,0.340852735,-0.497901822,-0.427451859,-0.581947391,-0.475042764,-0.514894555,-0.410157543,-0.554473791
4827,C16 H28 N6 O4,Pro Arg Pro Esi+8.85302,368.2175,8.85302,0.168172381,0.359661424,0.038458318,0.304058342,0.159439219,0.487154916,0.102381053,0.307350562,0.466643408,0.11731699,0.40524485,0.153991495,0.503297639,0.181016262
4828,C9 H13 N O2,4-(1-Hydroxy-2-(methylamino)ethyl)phenol Esi+0.8809977,167.0941,0.8809977,0.324954903,0.177611659,0.517589544,0.068399773,0.61380584,0.216817081,0.724373122,0.193418082,0.173233718,0.217497674,0.166572519,0.228607883,0.015860134,0.307896233
4829,C8 H Cl3 N O4 P S5,C8 H Cl3 N O4 P S5,470.7326,5.7370152,1.021335063,1.091177474,0.963963335,0.9490191,1.114301415,1.190620876,0.877820072,0.869991758,0.924936167,0.804444042,0.839313958,0.933896332,1.069063994,0.741642553
4830,C34 H52 O6,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid Esi+11.089023",578.3544,11.089023,0.525080107,0.821125463,0.156620092,0.595264229,0.300329481,0.621162159,0.383485806,-0.182137325,-0.36374255,0.034514523,-0.206369091,-0.143142696,-0.264685637,-0.128915387
4831,C15 H28 O5,6-Hydroxypentadecanedioic acid Esi+9.2889805,288.1935,9.2889805,0.130651898,0.238440068,0.038001777,0.207781871,0.081485808,0.132957384,0.111423351,-0.118596743,-0.234058417,0.019147008,-0.175772749,-0.054976562,-0.17421421,-0.082738114
4832,C28 H44 O5,Polyporusterone G Esi+14.445016,460.3177,14.445016,1.073233343,1.024825816,0.896110302,0.916271977,1.108116554,0.731207317,1.09388826,-0.529631417,-0.551010833,-0.504126148,-0.412933527,-0.69888832,-0.349190886,-0.645968074
4833,C25 H2 O21 P S2,C25 H2 O21 P S2 Esi+5.263993,732.8251,5.263993,2.238668301,2.257566435,2.244120765,2.380977131,2.230910373,2.322170653,2.24409237,2.898683391,2.924169604,2.868278787,2.842137295,2.958892368,3.102826171,2.76706502
4834,C15 H8 O24 P,C15 H8 O24 P,602.9125,10.027006,0.893947695,0.867142232,0.79620079,1.066420199,0.621958573,0.830857652,0.850297762,-0.501282396,-0.505284857,-0.49650753,-0.538301011,-0.450129415,-0.441281613,-0.539967112
4835,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+11.5490055,452.1607,11.5490055,0.461677518,0.406341033,0.566728977,0.652065849,0.261573513,0.501459658,0.467354866,0.244933847,0.222334667,0.271894273,0.295090223,0.169125901,0.231820519,0.253388493
4836,<none>,<none> Esi+13.040024 :1,447.8317,13.040024,0.66131639,0.752429147,0.477564122,0.887687917,0.387688512,0.736672157,0.517448177,-0.219295019,-0.240062898,-0.194519304,-0.227103186,-0.218967888,-0.207877534,-0.226656293
4837,C18 H36 N6 O5,Istamycin B3 Esi+11.068018,416.2744,11.068018,1.099576972,1.018200472,1.105897883,1.168434672,0.964919274,1.05506544,1.144194547,1.20537052,1.136260692,1.287817332,1.284346743,1.070813171,1.214178396,1.199691758
4838,C34 H26 Cl N4 O18 P,C34 H26 Cl N4 O18 P,844.0667,11.736002,0.294784348,0.1733871,0.45276881,0.251319452,0.299866049,0.354107961,0.261565066,0.180467877,0.131739962,0.238599424,0.184071581,0.139771906,0.233341885,0.146378056
4839,C23 H46,9-Tricosene Esi+12.979984,339.386,12.979984,0.866236124,1.186785852,0.229557732,0.84233431,0.843834703,1.107890631,0.689570239,-0.27502874,-0.432821407,-0.086784856,-0.224704728,-0.334227012,-0.3450112,-0.229908469
4840,C34 H63 N5 O9,Pepstatin Esi+13.06201,684.4573,13.06201,1.40089926,1.388010829,1.438195645,1.302589641,1.497898002,1.344673411,1.465247808,0.68129183,0.724951655,0.629206425,0.674869886,0.677251848,0.702394118,0.667686408
4841,C20 H40 N2 O12 S5,C20 H40 N2 O12 S5,660.1131,12.945009,0.287902321,0.332604947,0.098651774,0.313012147,0.054085248,0.223347444,0.236493334,-0.049848447,-0.086072734,-0.006633507,-0.052968888,-0.063302854,-0.046360671,-0.052097144
4842,C30 H56 O7,C30 H56 O7,528.403,15.916993,0.178370694,0.197915343,0.070385497,0.248163114,0.072972308,0.00166671,0.179495753,-0.056552442,-0.111451029,0.00894061,-0.066154979,-0.039892041,0.060782942,-0.132202887
4843,C35 H64 N16 O3 P,C35 H64 N16 O3 P,786.5348,14.083007,1.488952308,1.571415804,1.219198724,1.433473514,1.420118849,1.352702684,1.475520633,-0.99866372,-1.184682646,-0.776746404,-0.911965919,-1.126404785,-0.928390569,-1.043971409
4844,C14 H24 O2,"14:2(6,9) Esi+16.829037",224.1772,16.829037,0.836061598,0.810997831,0.763849864,0.856141254,0.719427267,0.709872988,0.83870838,-0.490728095,-0.539313419,-0.432766656,-0.495129808,-0.476487124,-0.427831375,-0.531279928
4845,C18 H24 N4 O2,Granisetron metabolite 3 Esi+9.246977,328.1871,9.246977,1.025352373,1.050120492,0.798097321,1.150061439,0.776570596,0.893291805,1.002255632,-0.74900941,-0.875333958,-0.59830644,-0.78684629,-0.705562024,-0.734045074,-0.758657469
4846,C5 H12 N,Neurine Esi+0.88000137,85.0891,0.88000137,0.215791831,0.360079639,0.58202239,0.335151006,0.102449348,0.419312589,0.223029523,-0.006604218,-0.125462343,0.13519144,-0.008846573,-0.004650962,-0.105230809,0.056983979
4847,C40 H68 N20 O P,C40 H68 N20 O P,875.5703,14.156005,0.439619594,0.460959045,0.158699375,0.560581947,0.090901582,0.598823294,0.21367574,-0.212106036,-0.28430049,-0.12597932,-0.26650821,-0.157225613,-0.306683735,-0.151128309
4848,C23 H30 O2,alpha-Santalyl phenylacetate Esi+14.385009,338.2211,14.385009,2.081902529,2.18670521,1.758828525,2.099618332,1.990265603,2.100963515,2.016766632,-2.839099894,-3.118607568,-2.505652142,-2.777675542,-2.891413212,-2.890911282,-2.805695183
4849,C42 H74 N O8 P,"PE(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) Esi+13.783992",773.493,13.783992,0.388615638,0.533825928,0.005402386,0.278799695,0.401409686,0.166044092,0.477287682,-0.19947057,-0.388786217,0.026379675,-0.138719993,-0.298684201,-0.1033007,-0.261474828
4850,C31 H55 N15 O P,C31 H55 N15 O P,684.4443,14.127984,0.380495754,0.558965918,0.030685821,0.415770877,0.29148775,0.386507343,0.340450749,-0.172491326,-0.242206557,-0.089322277,-0.184774801,-0.179065197,-0.155930427,-0.183168747
4851,C46 H77 N O8 P,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",801.5233,14.204033,1.038622977,1.083848495,0.75278715,1.019618666,0.86332544,0.952196043,0.935953832,-0.819073912,-1.014589791,-0.585826898,-0.777526181,-0.864682726,-0.862451135,-0.791107018
4852,C49 H80 N3 O15,C49 H80 N3 O15 Esi+14.352034,950.5569,14.352034,0.478109358,0.541140236,0.297014076,0.465079568,0.463253066,0.322260116,0.494332312,-0.366162827,-0.490283205,-0.218089393,-0.289347274,-0.505677641,-0.252798537,-0.439252961
4853,C44 H82 N3 O12 P,C44 H82 N3 O12 P,875.5883,14.158991,0.944293254,1.097927751,0.645824546,1.102238692,0.72198744,1.056780668,0.879312337,-0.444066394,-0.604690364,-0.252444816,-0.523770008,-0.36197002,-0.56093876,-0.368714474
4854,C30 H49 N3 O,Lucidine B Esi+14.012957,467.3813,14.012957,0.881976302,0.988200475,0.681463297,0.83562387,0.854070101,0.796786517,0.89993179,-0.468020173,-0.523537712,-0.401788724,-0.393040743,-0.574847393,-0.433816822,-0.490072334
4855,C7 H14 N2 O3,Valyl-Glycine,174.1003,1.3560017,2.10196931,2.035171958,2.15965908,2.119095418,2.147500628,2.014090198,2.218366677,-3.703635387,-3.725765726,-3.67723428,-3.555405865,-3.884541871,-3.715163174,-3.696202998
4856,C31 H46 O3,"(17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3 / (17Z)-1?,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol Esi+12.132014 :1",483.3763,12.132014,0.289080343,0.244259166,0.34735358,0.326683477,0.181642872,0.427510645,0.229693123,0.200620644,0.206794139,0.193255774,0.245478866,0.115585412,0.311643127,0.129040359
4857,C16 H29 N O5,Butoctamide hydrogen succinate Esi+5.8979893,315.2038,5.8979893,0.48966878,0.701188394,0.126175865,0.737973918,0.17362467,0.808707829,0.350352639,-0.311530008,-0.546382653,-0.031354924,-0.425013075,-0.160844739,-0.444488753,-0.225806607
4858,C17 H2 N2 O13 P S2,C17 H2 N2 O13 P S2 Esi+10.084982,536.8728,10.084982,0.827307418,0.838752813,0.769019408,1.023040348,0.480983178,0.759764827,0.729834805,-0.427119142,-0.408545934,-0.449276652,-0.476348085,-0.361910785,-0.341942934,-0.482035381
4859,C35 H44 N2 O9,Dihydro Isorescinnamine Esi+15.194029,658.2799,15.194029,1.148087345,1.108326893,1.501045515,1.164473592,1.479434149,1.003097424,1.433743664,0.661489881,0.527394322,0.821463531,0.566794122,0.79952825,0.433272431,0.808630079
4860,C15 H21 F3 N2 O2,Fluvoxamine,318.1605,5.234006,0.521935699,0.639557818,0.309437723,0.62417246,0.3394291,0.69494171,0.407797796,0.379358592,0.571814916,0.149761575,0.498022541,0.238492824,0.582287057,0.248523135
4861,C17 H27 N O4,Metipranolol Esi+7.2480145,309.1938,7.2480145,0.150239105,0.365460576,0.083636574,0.352986004,0.161490453,0.300542188,0.096320618,-0.025116589,-0.088136366,0.0500649,-0.074905026,0.045817135,-0.033116081,-0.019959021
4862,C22 H43 N8 O4 P,C22 H43 N8 O4 P,514.3266,12.038018,0.856567298,0.830240907,0.879857205,0.984535564,0.590111406,0.829273121,0.809607129,0.631380502,0.67643819,0.57762747,0.764071764,0.40253505,0.703549196,0.584850686
4863,C14 H22 O4,(-)-trans-C75 Esi+9.759013,254.1493,9.759013,0.693986175,0.663896626,0.59662992,0.578575319,0.747124907,0.509642747,0.722960515,0.401284507,0.416680571,0.382917273,0.3826674,0.424574099,0.344787038,0.437710507
4864,C25 H40 O4,"Androstane-3,17-diol dipropionate Esi+11.447999",404.2932,11.447999,0.764341768,0.786509313,0.591548092,0.778012929,0.591070626,0.780468084,0.726023842,0.494331637,0.643922729,0.315872087,0.555644577,0.405184114,0.616085304,0.415832561
4865,C20 H23 D11 O4,"(?)8,9-DHET-d11",349.3188,14.205022,0.803058923,1.001786758,0.597604245,0.804850289,0.808211059,1.031823939,0.629402877,-0.659607005,-0.808813904,-0.481605791,-0.725249864,-0.584714878,-0.927302205,-0.487014047
4866,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+9.074979,440.2029,9.074979,1.245436145,1.142110994,1.338518603,1.136919783,1.339145331,1.346221025,1.197018844,1.85888215,1.751787082,1.986644689,1.719147887,2.011836894,1.973376845,1.785063203
4867,C13 H16 N6 O4,Triciribine Esi+6.2989874,320.1234,6.2989874,0.261765183,0.229584892,0.145862685,0.312229197,0.037393504,0.534415376,0.041789859,0.321115791,0.3682054,0.264938714,0.529545947,-0.016016501,0.768758045,0.032504338
4868,C50 H76 N16 O4 P,C50 H76 N16 O4 P Esi+13.862042,995.5961,13.862042,0.355651748,0.667263803,0.354529381,0.158422814,0.385645257,0.424113513,0.219813038,-0.083124311,-0.251884643,0.118203805,-0.011633634,-0.179440511,-0.144914547,-0.043285869
4869,C35 H67 O8 P,PA(14:0/18:1(9Z)),645.4447,14.766043,1.510438078,1.527821048,1.334704977,1.549046975,1.334382638,1.352860872,1.519700713,-1.19694731,-1.309777752,-1.062342571,-1.164492685,-1.25298669,-1.066881509,-1.280805523
4870,C19 H43 N25,C19 H43 N25 Esi+11.7229805,621.4129,11.7229805,0.184742233,0.074936466,0.430915793,0.148883343,0.264643923,0.269625885,0.202514707,0.123063846,0.093440125,0.158404425,0.140737765,0.07115822,0.195581452,0.076309074
4871,C13 H16 N7,C13 H16 N7,270.1458,7.771981,0.379411745,0.478177309,0.155528882,0.466947543,0.243168551,0.246685473,0.435722047,-0.181715467,-0.250681575,-0.099440109,-0.178541381,-0.188376669,-0.122264867,-0.220045458
4872,C11 H18 N5 O13 P3,5'-Guanylylmethylenebisphosphonate Esi+13.081036,538.0415,13.081036,0.063165895,0.066240399,0.395522625,0.040637062,0.28966759,0.018896747,0.223618573,0.088814896,0.045251845,0.140784852,0.088885068,0.07622125,0.087415969,0.089716836
4873,C27 H38 N2 O4,Verapamil Esi+7.634008,471.3032,7.634008,0.843819529,0.867636434,0.687118357,0.797771473,0.746970832,0.73456221,0.851888111,-0.697476419,-0.680754506,-0.717425368,-0.657780794,-0.762428774,-0.589067133,-0.76737188
4874,C36 H60 N4 O5 S,Carbaprostacyclin-biotin Esi+7.604987,682.4106,7.604987,0.575712,0.790648612,0.162338459,0.526336848,0.398845962,0.756133634,0.356045463,0.212725964,0.356194644,0.041570346,0.247854145,0.141914581,0.362825396,0.11595133
4875,C30 H59 N5 O2 S2,C30 H59 N5 O2 S2,585.4091,9.541014,0.369096402,0.262583949,0.440820208,0.203238912,0.429290311,0.503598016,0.275072245,0.186604408,0.175494094,0.199858817,0.160676803,0.196710244,0.287227069,0.121729271
4876,C20 H9 N2 O24,C20 H9 N2 O24,660.9536,10.870023,1.042295765,0.98124078,1.111548992,1.263325942,0.755367539,1.020373955,0.985816759,-0.584846965,-0.586586449,-0.582771791,-0.619646933,-0.562775882,-0.525672018,-0.622999234
4877,C22 H38 O6,C22 H38 O6 Esi+13.909971,398.2665,13.909971,0.082438602,0.002780013,0.267778983,0.078269186,0.154653712,0.183676671,0.087670748,-0.106357789,-0.19683756,0.00158299,-0.168990942,-0.014502072,-0.039946454,-0.149175624
4878,C10 H17 N O3,Neotussilagine,199.1208,1.220001,1.111997913,1.172084171,0.896949032,1.141284016,0.987789037,1.172192588,1.053944308,0.522688208,0.635240158,0.388415706,0.536011936,0.503753985,0.563517658,0.496363957
4879,C46 H69 N18 O5 P,C46 H69 N18 O5 P,984.5412,12.989012,1.118707442,0.769615475,1.604268789,1.121235881,1.183021924,1.005411523,1.241465815,0.567621968,0.42375581,0.73925177,0.594431644,0.531324163,0.520748277,0.597843163
4880,C38 H75 N O8 P S,C38 H75 N O8 P S Esi+12.841006,736.493,12.841006,1.104759948,1.119043323,1.138318945,1.107117303,1.026790509,1.237060947,1.078673915,0.639136938,0.678124317,0.592625679,0.680127255,0.55705142,0.758826041,0.561968964
4881,C25 H36 O9,8-Hexanoylneosolaniol Esi+8.904024,480.2343,8.904024,1.135861057,1.215502884,1.098533332,1.27594317,1.005699316,1.333671532,1.059988111,1.042565677,1.04078239,1.044693107,1.145264286,0.887883905,1.19236957,0.945981588
4882,C35 H54 N2 O6,3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone,597.3986,10.970969,0.371100419,0.186846204,0.435221704,0.478404685,0.160775994,0.090167963,0.439403288,-0.174610052,-0.094312411,-0.27040373,-0.188696431,-0.174397411,0.008175539,-0.292458658
4883,C28 H47 N O8,Pikromycin,525.3356,9.151993,0.059810612,0.117365541,0.024858581,0.033194501,0.198105471,0.073012005,0.104685435,-0.107271283,-0.002866005,-0.231824947,-0.228056909,0.039470518,-0.196021027,-0.050051053
4884,C24 H44 N3 O3,C24 H44 N3 O3,422.337,15.245048,0.967109563,0.84408149,1.019241624,0.909364065,1.011710717,0.863860258,0.930057345,-0.419289865,-0.417255284,-0.421717084,-0.3662096,-0.514585703,-0.388995065,-0.438822038
4885,C33 H45 N21 O13,C33 H45 N21 O13,943.35,3.7399936,1.055954013,1.052135736,1.122841773,1.146705696,0.899028104,1.158752099,1.019577983,-0.789239575,-0.796301627,-0.78081467,-0.863923241,-0.65155296,-0.942801689,-0.690232422
4886,C18 H35 N4 O3,C18 H35 N4 O3 Esi+10.053976,355.2709,10.053976,0.093174684,0.224700751,0.051860614,0.216592043,0.116785306,0.056309677,0.049022016,-0.016822021,-0.066623167,0.042589873,-0.056219997,0.049385217,-0.015747053,-0.017515092
4887,C17 H36 N O5 P,C17 Sphingosine-1-phosphate Esi+4.693985,365.2308,4.693985,0.375935409,0.485231999,0.323157081,0.577650074,0.272133814,0.570744553,0.296349556,0.4397629,0.634146593,0.207866565,0.604348085,0.198424587,0.725944774,0.255250902
4888,C11 H18 N2 O,C11 H18 N2 O Esi+4.6770015,194.1417,4.6770015,1.299997864,1.386407047,1.133663259,1.369573345,1.296386461,1.528858333,1.17389922,-0.333056415,-0.366929331,-0.292646619,-0.333520334,-0.333438176,-0.375580748,-0.30563941
4889,C18 H4 N2 O14 P S2,C18 H4 N2 O14 P S2,566.8836,9.166993,0.63917181,0.628699367,0.564919355,0.872397744,0.251953826,0.880281504,0.426507542,-0.698156925,-0.702878013,-0.692524748,-0.869825556,-0.473545687,-0.855549739,-0.596679979
4890,C29 H19 N8 O3 S3,C29 H19 N8 O3 S3,622.0914,12.374019,0.055942566,0.214490401,0.327164266,0.148857801,0.211823948,0.2947548,0.246230995,0.057526958,-0.043229415,0.177727543,0.013868418,0.093869401,-0.093919258,0.155169912
4891,C23 H49 N8 P,C23 H49 N8 P,466.3655,14.862043,1.430124775,1.609700265,1.109354755,1.508070891,1.249716513,1.513140015,1.295483138,-1.225038437,-1.536346832,-0.853652984,-1.281636087,-1.162988955,-1.398683731,-1.11308292
4892,C18 H32 O4,8-HpODE,312.2302,10.350004,0.042193017,0.110067106,0.006059221,0.122242179,0.141901426,0.004928204,0.114146744,-0.009401821,-0.037648628,0.024296125,-0.023792764,0.057785761,0.087869569,-0.07211627
4893,<none>,<none> Esi+13.136977,427.7946,13.136977,1.234152869,1.157856077,1.479469387,1.251403853,1.188562832,1.153992989,1.423307555,0.591576496,0.57670785,0.609314529,0.630679408,0.521150362,0.582280284,0.597570106
4894,C35 H56 N4 O5 S,8-iso Prostaglandin A2-biotin,661.425,8.227017,0.257468217,0.328637158,0.146531738,0.34620955,0.051396723,0.574741215,0.035922213,-0.404686395,-0.398869826,-0.411625459,-0.485678903,-0.283996364,-0.52075985,-0.329849561
4895,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+11.637961",382.1596,11.637961,0.290564474,0.370761979,0.092866687,0.23280651,0.302833849,0.124709331,0.354596474,0.057850256,0.091901533,0.017227681,0.039536188,0.097964154,0.012936718,0.08680767
4896,C7 H16 O4,Poloxalene,164.1046,3.3259926,0.543372659,0.644335204,0.39708305,0.643088731,0.289917046,0.705101551,0.383332014,0.20442803,0.274844152,0.120422833,0.28095008,0.08957179,0.356702077,0.106251343
4897,C9 H16 O4,Butyl ethyl malonate Esi+6.0360084,210.0865,6.0360084,0.26068084,0.347588122,0.179856965,0.324887867,0.233186996,0.216452843,0.233487341,-0.186151786,-0.214706567,-0.152086434,-0.181887388,-0.209749294,-0.131331044,-0.221496738
4898,C29 H49 N7 O2 P,C29 H49 N7 O2 P,558.3697,16.24297,0.298578643,0.452663317,0.051319456,0.374465538,0.105837398,0.104494873,0.323637283,-0.021972041,-0.179331473,0.165755,-0.066465091,0.034272859,0.009700226,-0.042392319
4899,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+6.1440086",273.158,6.1440086,0.283085689,0.160037629,0.358210702,0.225820688,0.268707486,0.013125767,0.30238912,-0.135284954,-0.058973357,-0.22632335,-0.102083005,-0.183174913,0.031048436,-0.242526218
4900,C30 H10 N11 O14 P,C30 H10 N11 O14 P,779.0142,13.128978,0.863213439,0.756778211,1.107993444,0.85170347,0.919739943,0.810991286,0.989716558,0.447696021,0.425719256,0.473913915,0.462316799,0.410285049,0.435781682,0.455377633
4901,C36 H79 N4 O13,C36 H79 N4 O13,775.562,13.836975,0.236519249,0.282732699,0.089674404,0.066715123,0.441630337,0.218000826,0.233333985,-0.131857936,-0.230903188,-0.013698688,-0.045599489,-0.262578157,-0.124160505,-0.136820753
4902,C44 H72 O11,Oligomycin D Esi+8.614992 :1,793.5388,8.614992,0.573369393,0.486172403,0.748599916,0.76832998,0.324007735,0.47751169,0.558304564,-0.300881777,-0.219352056,-0.398145303,-0.335240382,-0.272457365,-0.194149263,-0.36969616
4903,C45 H71 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) Esi+14.111025",770.4828,14.111025,0.799827959,0.927516348,0.46646848,0.738620934,0.738463971,0.674140871,0.773616369,-0.98596411,-1.333317701,-0.57157737,-0.88783554,-1.138930699,-0.942971192,-1.013683228
4904,C13 H4 O23 P,C13 H4 O23 P Esi+10.065997,558.8856,10.065997,0.98800301,0.968403014,0.929951727,1.240434389,0.529571928,1.091146519,0.787640519,-0.528516988,-0.550717601,-0.502032046,-0.611744014,-0.412127342,-0.507326304,-0.542179403
4905,C16 H22 N4 O3,Eseramine Esi+5.650014,340.1493,5.650014,0.094668561,0.286070768,0.084919922,0.275008968,0.043553947,0.310293647,0.058527807,-0.000165293,0.145064625,-0.173422037,0.090439949,-0.072138977,0.114278284,-0.073951283
4906,C8 H13 N O,5-Pentyloxazole Esi+4.1110086,139.0989,4.1110086,1.09705248,0.903646583,1.184854943,0.980824031,1.153471927,1.063801285,1.004708512,1.10713596,0.898791862,1.355686814,1.081406455,1.178122401,1.172803378,1.064797757
4907,C21 H46 O6 P,C21 H46 O6 P,425.3022,11.81201,0.158072015,0.042379259,0.24844864,0.124958364,0.181944408,0.108430849,0.255063487,-0.090776955,0.016840327,-0.219162484,-0.042076495,-0.204563925,0.112283226,-0.221697335
4908,C12 H Cl7 O2,"1,2,3,4,6,7,8-Heptachlorodibenzodioxin Esi+9.650983",421.7761,9.650983,0.289626671,0.551161907,0.046390039,0.1628944,0.374172684,0.356331711,0.296401353,0.119765694,0.270702951,-0.060299807,0.103387852,0.12024469,0.204993373,0.064816269
4909,C23 H39 N3 O8,Sarcodon scabrosus Depsipeptide Esi+4.7509904,484.2654,4.7509904,0.500185053,0.581139378,0.235118613,0.583925823,0.31380809,0.7286707,0.236520598,0.345013543,0.506885419,0.151903234,0.435900882,0.207863922,0.592384498,0.185524375
4910,C27 H51 O12 P,PI(18:1(9Z)/0:0) Esi+12.428978,598.312,12.428978,2.633797196,2.525886695,2.767504279,2.679156503,2.718252756,2.531054658,2.731264579,3.813462606,3.661034446,3.995306727,3.628798755,4.070624723,3.574490891,3.967536475
4911,C20 H17 F O3 S,Sulindac,367.0785,6.60499,0.296951464,0.375932728,0.128512765,0.525647161,0.047755376,0.082301327,0.316616442,0.146733746,0.20170098,0.081158801,0.271172491,-0.005576141,0.06120214,0.201879124
4912,C15 H23 N3 O6,Glu Pro Pro,340.1498,8.733008,1.15652865,0.825024077,1.632825513,1.052983237,1.470353324,0.842915482,1.417468595,0.633169313,0.445733271,0.856777222,0.531444541,0.781898636,0.475391114,0.734894731
4913,C23 H54 N19 O3 P,C23 H54 N19 O3 P,675.4401,8.718995,0.798248543,0.718778909,0.856326833,0.858344362,0.667749673,0.718014676,0.771987146,-0.496648633,-0.436129117,-0.568847354,-0.509806501,-0.493552152,-0.40359372,-0.556644564
4914,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+5.144003,186.0892,5.144003,0.24406919,0.51576838,0.210177779,0.462586326,0.028574811,0.400915433,0.091202848,-0.212278292,-0.498263363,0.12889688,-0.354406903,-0.040961935,-0.399376002,-0.091649505
4915,C46 H74 O14,Hebevinoside V,850.5073,14.737042,0.043857098,0.066964201,0.263687258,0.126238361,0.101300202,0.139951076,0.015623625,0.122557434,0.05125121,0.207624508,0.23214428,-0.036568936,0.199435415,0.072991367
4916,C29 H51 N O7 S,"(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine Esi+9.61599",556.331,9.61599,0.692099286,0.818365358,0.322493893,0.692396877,0.456526598,0.750502937,0.513950279,0.430071169,0.565434414,0.268585193,0.476359132,0.332702594,0.580617766,0.333008231
4917,C26 H56 N15 O6 S,C26 H56 N15 O6 S,706.4305,14.011977,1.237500439,1.382258458,1.110756366,1.345890899,1.252632756,1.295714957,1.28733443,-0.616878017,-0.766771482,-0.438057743,-0.592500938,-0.660522509,-0.64503121,-0.598726617
4918,<none>,<none> Esi+14.163029 :1,798.0611,14.163029,0.383928012,0.576593178,0.054408292,0.544751207,0.029828909,0.352939336,0.304809585,-0.120649473,-0.244365562,0.026941651,-0.160363279,-0.078631886,-0.108892309,-0.12822975
4919,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+10.965996",490.301,10.965996,0.975800404,0.895329955,1.274906175,1.039268747,1.022482996,0.913789283,1.13812496,0.786007565,0.722042212,0.862317109,0.802555531,0.733412053,0.740888383,0.815097565
4920,C13 H26 N O4,(?)-Hexanoylcarnitine Esi+5.619996,259.1785,5.619996,0.732420589,0.839458271,0.479890619,0.691920119,0.833293206,0.756018423,0.673642472,0.573967203,0.735517063,0.381241054,0.549951275,0.616758482,0.603981274,0.554616026
4921,C23 H45 N8 O3 P,C23 H45 N8 O3 P,512.3369,14.62698,1.547293696,1.609934835,1.416553951,1.466550267,1.600086012,1.633971699,1.487734198,-3.803903452,-4.194999684,-3.337332509,-3.676129068,-3.933730606,-4.027678023,-3.659627742
4922,C48 H82 O18,Gynosaponin S,963.5764,11.114012,0.632483087,0.308879222,1.142159686,0.557422356,0.781568106,0.493584686,0.785706773,0.340954335,0.200449748,0.508573842,0.350056364,0.32896385,0.293045001,0.371843248
4923,C18 H34 O4,6-HpOME(7E),314.2454,16.07001,1.267630776,1.262516205,1.092607947,1.252989985,1.063029024,1.263577561,1.107605098,-0.973392819,-1.088840587,-0.835665656,-1.02727949,-0.894371181,-1.10113983,-0.891029614
4924,C27 H53 N O3,C27 H53 N O3,439.4013,12.893007,0.968605204,0.787321176,1.307385603,0.951619877,1.223565341,0.625095232,1.27726007,0.62008261,0.426077401,0.851527421,0.520880971,0.781215854,0.34304802,0.798697017
4925,C26 H51 N7 O3 P,C26 H51 N7 O3 P Esi+15.336967,540.4375,15.336967,1.433817961,1.615218097,1.232219338,1.43850506,1.452771124,1.545147162,1.380372511,-1.617082772,-1.77390667,-1.429994613,-1.504952982,-1.777950697,-1.699398603,-1.564010724
4926,C31 H44 N7 O20 P3 S,5-Hydroxyferuloyl-CoA,959.1601,13.974047,0.424034084,0.424568961,0.271214111,0.445996376,0.175382377,0.290159368,0.385493927,-0.125213784,-0.15458888,-0.09016981,-0.131648904,-0.137552919,-0.080823742,-0.15383368
4927,C12 H14 O5,"1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione Esi+4.643995",238.0816,4.643995,0.708149332,0.621330538,0.936249446,0.646803093,0.73972606,0.541088112,0.846614442,0.872470696,0.675240079,1.107763363,0.856625701,0.876190322,0.66247326,1.00786378
4928,C24 H28 O7,Rhodomyrtoxin,450.1657,9.883031,0.662901483,0.803143619,0.473835307,0.663018432,0.7092201,1.059780517,0.407930002,-0.209953687,-0.276878275,-0.130113829,-0.222733934,-0.208640951,-0.355881072,-0.115868926
4929,C18 H32 O3,12(13)-EpOME Esi+12.488022,296.2347,12.488022,1.302992032,1.545024788,1.280011399,1.340210451,1.407789291,1.601784585,1.300686228,-0.554639344,-0.608681122,-0.490168452,-0.524250285,-0.569892022,-0.591883681,-0.530626548
4930,C19 H25 N5 O5 S,Cys Gln Trp,452.1814,12.166014,1.685448874,1.331896878,2.08756973,1.54500537,1.859686158,1.573040393,1.772233147,1.847810399,1.530306828,2.226586589,1.699158966,2.055538568,1.6809225,1.955409176
4931,C22 H34 O7,Colforsin,410.228,12.135988,1.2127049,1.360452686,0.879658254,1.051872521,1.25156303,1.267498383,1.105530653,-2.229217532,-2.549743751,-1.846835376,-2.263304819,-2.148500729,-2.6549702,-1.954719101
4932,C35 H58 N11 O2 P,C35 H58 N11 O2 P,695.4633,12.116968,1.245587999,0.995764702,1.420130889,1.070787861,1.296589224,0.936619935,1.370514582,2.144362303,1.937916049,2.390649062,2.079528781,2.201724988,1.853236228,2.332062009
4933,C18 H2 N2 O19 P,C18 H2 N2 O19 P Esi+10.052001,580.899,10.052001,0.944038266,0.934357873,0.897398882,1.122242024,0.628947862,0.911678119,0.862831213,-0.533702122,-0.522253968,-0.54735957,-0.597328134,-0.445745581,-0.454662713,-0.584661742
4934,C34 H54 O5,3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid Esi+16.076963,542.3943,16.076963,0.097072225,0.29218292,0.466692113,0.119892834,0.035849824,0.134245542,0.152904716,0.098898202,-0.135842966,0.378940297,0.111239618,0.061833566,0.25462881,-0.001507059
4935,C29 H45 N18 O P,C29 H45 N18 O P,692.3743,13.03802,0.358757429,0.110979752,0.565952414,0.328964765,0.216623869,0.376855081,0.257513419,0.251548621,0.117708299,0.411217778,0.314308179,0.150025063,0.301293441,0.219476304
4936,C10 H21 N3 O4,Threoninyl-Lysine Esi+7.366979,247.1502,7.366979,0.09588814,0.21577777,0.081575218,0.126278093,0.033009359,0.198352712,0.022276523,-0.326373988,-0.743834607,0.171649206,-0.516618149,-0.053718454,-0.573493649,-0.167046838
4937,C25 H42 O8,C25 H42 O8 Esi+13.964041,470.2908,13.964041,0.03092097,0.317381784,0.287345088,0.194884302,0.169885497,0.068461791,0.086173184,-0.054317683,-0.252996642,0.182702829,-0.162596178,0.124906411,-0.045278812,-0.060145377
4938,C44 H78 N O10 P,"PS(18:0/20:4(5Z,8Z,11Z,14Z)) Esi+11.903011",810.5305,11.903011,1.065650358,1.043531817,1.154917235,1.092689417,0.965453806,1.193258339,1.032359124,0.593222666,0.623438215,0.557176046,0.639042886,0.499786711,0.713895044,0.515420739
4939,C23 H37 N O4,12-HETE-Ala,391.2716,10.086997,0.907444504,0.925709584,0.884752407,0.92351055,0.954225531,0.99282317,0.906093336,0.614649329,0.685961277,0.529575427,0.634049721,0.582861422,0.68689939,0.568067053
4940,C19 H29 F O3,9a-Fluoro-B-hydroxyandrosterone Esi+5.6939807,324.2147,5.6939807,0.30118,0.049719696,0.706119074,0.194108177,0.454007802,0.082025103,0.481315561,-0.122092019,0.026489175,-0.299346778,-0.065033981,-0.210705623,0.047487998,-0.231426504
4941,C30 H52 O6,Fasciculol C Esi+14.613024,508.3748,14.613024,1.476835102,1.591771834,1.255325266,1.510777349,1.418673012,1.390921124,1.472309131,-0.885675022,-1.035426231,-0.707024458,-0.778043266,-1.046996284,-0.69021255,-1.011696879
4942,C36 H58 O12,Fusicoccin A Esi+13.361013,682.3909,13.361013,1.859701785,1.659307379,1.943814557,1.83170778,1.769579233,1.606237213,1.902311888,2.396253674,2.262222639,2.556150347,2.369561488,2.421178889,2.268975093,2.478314864
4943,C29 H49 O12 P,"PI(20:4(5Z,8Z,11Z,14Z)/0:0)",620.3031,15.952945,0.481998056,0.704465529,0.080763791,0.628256621,0.410441113,0.65507817,0.326186569,-0.189754296,-0.371431595,0.026983534,-0.191260434,-0.198834075,-0.235990813,-0.15994391
4944,C12 H24 N9 O,C12 H24 N9 O,310.2079,5.432006,0.159050837,0.007017957,0.369125835,0.188974322,0.175433969,0.266106234,0.099673606,-0.297788629,-0.098920423,-0.53503491,-0.254043575,-0.343558067,-0.392816979,-0.236520351
4945,C12 H22 N7,C12 H22 N7,264.1933,7.5670104,0.184313148,0.124385634,0.182568411,0.180788417,0.2052763,0.257055412,0.116098546,-0.197818819,-0.134943658,-0.272827783,-0.183847711,-0.23545143,-0.185266761,-0.205911594
4946,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.423996,272.1574,6.423996,1.386654348,1.560818832,1.209331783,1.411327853,1.383363611,1.539802481,1.362965835,0.88397136,0.940439936,0.81660534,0.893386387,0.848339317,1.034410703,0.786977573
4947,C34 H63 O8 P,"PA(18:2(9Z,12Z)/13:0) Esi+8.005987",652.4005,8.005987,0.173278223,0.050072641,0.352894524,0.250033094,0.040387067,0.246351198,0.100226517,-0.138729416,-0.033685626,-0.264044815,-0.175744774,-0.104927954,-0.133128117,-0.14234078
4948,C15 H22 N2 O16 P2,UDP-4-keto-rhamnose Esi+12.654035,548.0454,12.654035,0.149849942,0.02737043,0.426547213,0.042848823,0.376638815,0.151379713,0.250672984,0.106984151,0.066584438,0.1551803,0.096069713,0.106200127,0.115649884,0.101397034
4949,C46 H77 N O8 P,"PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",817.5619,14.08002,0.658580594,0.723737493,0.562300263,0.758512526,0.503940596,0.616099001,0.637443376,-0.53885385,-0.601295061,-0.46436258,-0.607322849,-0.46485262,-0.584812759,-0.509222448
4950,C27 H49 N O8 P,C27 H49 N O8 P,545.3246,12.789004,0.390153173,0.504667088,0.116686171,0.355009895,0.330221598,0.348440876,0.321817153,-0.271882457,-0.462066275,-0.044996498,-0.200847924,-0.37861645,-0.28258881,-0.264979676
4951,C20 H3 O11 P S3,C20 H3 O11 P S3 Esi+11.461003,545.8575,11.461003,1.509864724,1.495866265,1.60206577,1.466598735,1.523972436,1.497000228,1.592751098,0.801825738,0.831987607,0.765843158,0.810879309,0.762347279,0.836891739,0.779217396
4952,C31 H59 N O8,C31 H59 N O8 Esi+9.538983,573.4063,9.538983,0.602306335,0.6305592,0.544865014,0.647868579,0.519277486,0.542040879,0.575619232,-0.385787607,-0.372533654,-0.40159934,-0.345992474,-0.46795497,-0.294693804,-0.444519138
4953,C23 H44 N2 O4,N-stearoyl glutamine Esi+11.072999,411.3187,11.072999,0.039829466,0.110662029,0.178379577,0.057323731,0.096409718,0.035737073,0.047426874,-0.069380309,-0.202642361,0.089598981,-0.046438768,-0.126708173,-0.00487387,-0.110969987
4954,<none>,<none> Esi+12.580014,420.7871,12.580014,1.89869947,1.935464215,1.816000487,1.934601743,1.79962238,1.921534106,1.884302331,1.088487887,1.148926797,1.016385328,1.112541599,1.037557088,1.130372712,1.061483197
4955,C14 H29 N O,Halaminol A,227.2265,13.535962,1.515398597,1.389699271,1.642221238,1.525197789,1.418152526,1.585505243,1.493314481,-0.829008564,-0.828404139,-0.829729632,-0.861004788,-0.777599173,-0.869077351,-0.80317474
4956,C40 H60 O13,Pfaffoside A,748.4005,13.43602,1.623548259,1.523465721,1.813157773,1.692298627,1.674917377,1.744772666,1.611387363,1.320214749,1.166752184,1.503292897,1.304286583,1.331348492,1.234136297,1.375712699
4957,C25 H41 N O7,Lycoctonine,467.292,12.35101,1.443294497,1.474888204,1.273968319,1.436479446,1.276751086,1.48072128,1.322418287,1.22674109,1.373344457,1.051845844,1.312772738,1.091469084,1.354848067,1.144145802
4958,C6 H14 O3,"Polypropylene glycol (m w 1,200-3,000) Esi+3.718995",134.0941,3.718995,0.016620706,0.047326798,0.090427065,0.111016999,0.139211453,0.147260091,0.042577069,-0.09765107,-0.017660755,-0.193078113,0.01278146,-0.241309257,0.037635084,-0.184875038
4959,C15 H26 O5,C15 H26 O5 Esi+8.021981 :1,286.1777,8.021981,0.904217327,0.70166601,0.988941808,0.632184345,1.137739016,0.556190053,1.056401075,0.947285658,0.807316318,1.114266626,0.724370897,1.250639252,0.649103348,1.13953478
4960,C38 H63 N15 O,C38 H63 N15 O,743.5743,16.050032,0.116156489,0.118448173,0.104322517,0.212332777,0.044528695,0.109216717,0.254258804,0.070931638,0.031107,0.118441732,0.094571809,0.029324799,0.305498374,-0.080302179
4961,C13 H18 O6,"Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+5.5360084",270.1087,5.5360084,0.338466291,0.471004401,0.153838509,0.523926503,0.15928305,0.292060178,0.348993921,-0.084850572,-0.136219228,-0.023568668,-0.097739065,-0.062613265,-0.057644877,-0.102391086
4962,C16 H24 O4,"Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate",280.1654,9.818979,2.255738974,2.139083994,2.319027156,2.202439109,2.328641605,2.091120469,2.351468016,2.623173533,2.431074433,2.852344388,2.433585383,2.854496133,2.48401507,2.712894121
4963,C33 H44 O4,Eudesobovatol A Esi+10.199975,504.3266,10.199975,0.655794214,0.681480267,0.623393487,0.670098124,0.587481027,0.711317108,0.618374219,0.37336068,0.42134631,0.316114666,0.399368152,0.30163777,0.460030134,0.31748169
4964,C18 H37 N O,Stearamide Esi+15.922055,283.2873,15.922055,1.979623716,2.069689918,2.181763802,2.137244911,2.114898908,2.221405103,2.057762899,-0.916837341,-1.067904731,-0.736616596,-0.902846556,-0.946272339,-0.92626972,-0.910755939
4965,C24 H34 O4 S,17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate Esi+6.625,418.2181,6.625,0.48981762,0.056796209,0.934323589,0.38135404,0.647534,0.164628984,0.665777294,-0.36122123,-0.039780138,-0.744694814,-0.255735172,-0.531286084,-0.118195431,-0.517908917
4966,C12 H20 N4 O3 S,Desmethylranitidine,300.1301,4.8590064,0.457100284,0.234019295,0.747924345,0.49465704,0.564785821,0.383690459,0.526977434,-0.359262306,-0.122724948,-0.641447224,-0.214428373,-0.5714015,-0.178447698,-0.475840145
4967,C15 H11 I3 O4,"3,3',5'-Triiodothyropropionic acid",635.7726,13.355973,0.537660441,0.560893038,0.287541247,0.566690368,0.274965322,0.515747962,0.402844117,-0.152495656,-0.192444782,-0.104837049,-0.133049564,-0.197054328,-0.159883043,-0.147732735
4968,C11 H12 O2,"2-(Phenylethenyl)-1,3-dioxolane",176.0835,5.3129916,0.417887239,0.463252106,0.273900723,0.509441149,0.408512858,0.130007445,0.565864015,-0.285095979,-0.35873633,-0.197244332,-0.239131683,-0.351422039,-0.08672219,-0.41299487
4969,C31 H40 N3,C31 H40 N3,454.3223,12.374019,0.341620624,0.215997798,0.621876608,0.271926805,0.420233848,0.461153952,0.355336788,0.224484192,0.184333484,0.272383283,0.246838162,0.168780503,0.329374718,0.156857406
4970,C16 H32 N6 O5,Leu Arg Thr,388.2427,8.657983,0.178968562,0.16246646,0.241796883,0.219556724,0.158612688,0.269934122,0.164404298,0.112485654,0.192340635,0.017220063,0.138323448,0.061313395,0.20726485,0.051378015
4971,C26 H51 N7 O3 P,C26 H51 N7 O3 P Esi+15.216015,538.3614,15.216015,0.756666009,0.706758097,0.605970011,0.607669186,0.871881641,0.659063705,0.693569077,-0.337209551,-0.362149803,-0.307456268,-0.157503439,-0.577191904,-0.291451628,-0.36671137
4972,C35 H43 Cl N2 O8,Cryptophycin 1,654.2735,5.797985,1.766679335,1.654399918,1.717678908,1.550519629,1.968849866,1.584264259,1.807213376,1.447611187,1.466977494,1.424507522,1.269908056,1.719699775,1.401256291,1.477497896
4973,C35 H64 N O8 P,"PE(18:3(9Z,12Z,15Z)/12:0) Esi+13.725028",674.4722,13.725028,1.446493309,1.506454403,1.19987853,1.436830871,1.347828724,1.522988872,1.347915644,-0.9067452,-1.128932814,-0.641679274,-0.921312469,-0.868833725,-1.030259212,-0.827111166
4974,C25 H34 O8,6-dehydrotestosterone 17-glucosiduronic acid Esi+10.208986,462.2256,10.208986,0.338735314,0.28494682,0.414472641,0.267148455,0.34354185,0.540349782,0.201766268,0.248092094,0.226015627,0.274428931,0.263307283,0.204675145,0.365807147,0.172196862
4975,C24 H44 N13 O2 P,C24 H44 N13 O2 P,577.3794,13.689962,0.362671474,0.406297904,0.200727226,0.220397219,0.504275999,0.320402404,0.308015982,-0.276933474,-0.346835491,-0.193541595,-0.197368435,-0.400135283,-0.280767836,-0.27446132
4976,C12 H18 N2 O,Agrocybenine Esi+4.718995 :2,206.1418,4.718995,0.449290048,0.689307615,0.035695376,0.564374707,0.353779355,0.630796907,0.235285997,-0.076200659,-0.13997499,-0.000119001,-0.072609074,-0.076680933,-0.102254656,-0.059402687
4977,C43 H73 N2 O11 P,C43 H73 N2 O11 P,824.4905,14.047046,0.070944384,0.272760797,0.424421034,0.035294086,0.004405223,0.170120708,0.202270913,0.185428065,-0.186232759,0.628812907,0.196425172,0.210153646,-0.14018358,0.395361888
4978,C9 H12 O3,4-Ipomeanol Esi+7.3179936,168.0786,7.3179936,0.213690988,0.266407153,0.063455482,0.238536423,0.134912832,0.031111829,0.313244078,-0.164486189,-0.21697003,-0.101873887,-0.142883955,-0.202373396,-0.010808899,-0.263567599
4979,C40 H70 N O9 P,"PS(P-16:0/18:4(6Z,9Z,12Z,15Z)) Esi+10.673008",738.4732,10.673008,0.974070401,1.019994107,0.915444112,1.00830795,0.826375591,1.103727334,0.897594957,0.514498617,0.584356507,0.431159381,0.569813528,0.401136084,0.64253043,0.431951791
4980,C35 H54 O6,Hericenone F,587.4228,9.097008,0.482862746,0.454353073,0.494507134,0.581359744,0.248047242,0.528900048,0.385147387,-0.44390605,-0.422826832,-0.469053186,-0.497012995,-0.390390144,-0.446642826,-0.442141549
4981,C27 H41 N4 O3 P,C27 H41 N4 O3 P,500.2987,11.291993,1.2971177,1.187712026,1.517697773,1.173877997,1.392234887,1.245606896,1.399767657,1.622249231,1.470672128,1.803078056,1.56858296,1.67754164,1.550242743,1.668674467
4982,C37 H75 N2 O7 P,PE-Cer(d15:1(4E)/20:0(2OH)),707.5524,16.298033,0.23933056,0.114086529,0.449652365,0.207830057,0.232082638,0.019451851,0.374077679,-0.092006326,-0.074822664,-0.112506133,-0.100640472,-0.078288145,-0.029931307,-0.132028377
4983,C40 H54 O3,Adonixanthin/ 4-Ketozeaxanthin Esi+13.889963,581.4041,13.889963,1.056321098,1.042571405,1.062608224,0.955577529,1.049409201,1.065675735,1.07220195,0.615322744,0.652466906,0.571010411,0.63036905,0.575851468,0.665490333,0.582977851
4984,C14 N O20 P S,C14 N O20 P S,564.8484,12.918965,0.993990127,1.286192358,0.419998421,0.971907294,0.905931399,1.135833973,0.852663087,-0.446689136,-0.645402426,-0.209627666,-0.445942658,-0.428502108,-0.552264061,-0.378621092
4985,C15 H26 O4,Ethylene brassylate Esi+8.909019,270.1831,8.909019,0.604313416,0.502465487,0.701160802,0.497842908,0.598418633,0.832540115,0.444320834,-0.18646777,-0.144132378,-0.23697315,-0.192974456,-0.163100801,-0.240061966,-0.151913618
4986,C12 H23 N O3,C12 H23 N O3,229.1679,7.536009,0.23942538,0.370120769,0.070624295,0.260235472,0.170204499,0.173220571,0.224513736,-0.063729369,-0.164331266,0.05628693,-0.062149913,-0.081854338,-0.042952029,-0.077125285
4987,C14 H22 O5,C14 H22 O5 Esi+5.7709966,270.1444,5.7709966,0.258323157,0.372106582,0.008746598,0.113028295,0.536161956,0.484761204,0.051206756,-0.195828176,-0.359812365,-0.000197915,-0.050680732,-0.42143941,-0.462088918,-0.024160065
4988,C36 H72 S4,C36 H72 S4,632.4467,16.242971,0.327523222,0.414561869,0.099596719,0.331446266,0.279742928,0.229833791,0.270244542,-0.127442541,-0.252702839,0.021990798,-0.128626522,-0.127630796,-0.144654163,-0.116345574
4989,C33 H44 O,Citranaxanthin Esi+14.981984,456.3392,14.981984,0.305248193,0.306061701,0.200664992,0.174959652,0.379107085,0.368210688,0.198959029,-0.103552166,-0.10737122,-0.098996102,-0.027304436,-0.208841486,-0.130282316,-0.086318254
4990,C22 H44 O5,C22 H44 O5,388.319,15.270997,1.752704589,1.969063051,1.720970089,1.957966583,1.994543976,2.03743859,1.857575677,-1.94662748,-2.185478155,-1.661682814,-1.840805377,-2.064631416,-1.730216844,-2.08615539
4991,C22 H45 N8 O,C22 H45 N8 O Esi+14.177982 :1,437.3706,14.177982,0.632561816,0.778802991,0.255839142,0.530122056,0.603651405,0.542297777,0.544718667,-0.364687785,-0.518700225,-0.180953647,-0.372453182,-0.358982214,-0.411519055,-0.334493941
4992,C33 H53 N O6,gamma-Chaconine Esi+8.844977 :2,559.3873,8.844977,0.561287538,0.492639784,0.678016403,0.683563662,0.413058738,0.415550254,0.557632238,-0.392632486,-0.319635096,-0.479717093,-0.401483654,-0.411300757,-0.241683912,-0.489954594
4993,C42 H73 N2 O4 S,C42 H73 N2 O4 S,701.5284,13.56201,0.000626699,0.073957294,0.238112583,0.013919068,0.132142675,0.183793087,0.017436943,0.051277187,0.011654692,0.098546128,0.070990452,0.006417408,0.143260258,-0.008027688
4994,C18 H32 O6,"2,3-dinor Thromboxane B1 Esi+13.215007",344.2198,13.215007,0.387053079,0.498596142,0.154168339,0.443626282,0.226150161,0.425203964,0.351847688,-0.407480607,-0.478062923,-0.323277141,-0.440926718,-0.328704447,-0.413143765,-0.40382936
4995,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.2180066,312.1547,7.2180066,2.700021836,2.61224482,2.734063019,2.689673963,2.753266092,2.583861723,2.760180012,2.941728818,2.913583125,2.975306136,2.808695287,3.106443702,2.842849645,3.005479864
4996,C36 H64 O11,Vinaginsenoside R12 Esi+14.138975,689.4698,14.138975,0.261687745,0.158401558,0.475661611,0.324180743,0.147608933,0.398093204,0.191463098,0.211995802,0.125069896,0.315696884,0.293637412,0.105786075,0.297084908,0.157135721
4997,C40 H30 N O5 P S2,C40 H30 N O5 P S2,699.1231,9.968013,0.076143467,0.014914068,0.138157157,0.186815359,0.039876788,0.241728099,0.018694478,0.192672658,0.188893584,0.197181026,0.231000399,0.122774575,0.303097862,0.12147746
4998,C24 H42 O9,C24 H42 O9 Esi+10.969976,474.2819,10.969976,2.051256231,1.974103648,2.18819836,2.148645821,2.035668033,2.086696574,2.10573144,2.604464932,2.508117212,2.719406071,2.663875805,2.484870744,2.618171689,2.59562768
4999,C10 H16 N5 O13 P3,2-Hydroxy-dATP Esi+11.877995,524.0264,11.877995,0.041388669,0.026431989,0.262433064,0.03326238,0.092355103,0.082467122,0.106549655,0.036907243,-0.015217514,0.099091164,0.031233002,0.017351072,0.019123384,0.048373152
5000,C25 H4 N4 O17 P,C25 H4 N4 O17 P Esi+11.683024,662.9309,11.683024,1.464142886,1.422821372,1.580943354,1.438035687,1.489037623,1.489790241,1.528473831,0.828982216,0.852361337,0.801091336,0.846778685,0.775428289,0.889613288,0.78989113
5001,C16 H24 O8,Dihydroconiferin Esi+5.8489995,344.143,5.8489995,1.003432991,0.889000131,1.054758666,0.732117977,1.200883363,0.925104774,0.953347615,-0.689378554,-0.636081408,-0.752961115,-0.495080061,-0.939327889,-0.609619252,-0.740802315
5002,C15 H24 N6 O6,Gln His Thr Esi+7.4790034,384.1793,7.4790034,0.70775866,0.726741347,0.578858926,0.615849563,0.739779487,0.857955608,0.528344442,-0.327325961,-0.386125647,-0.257178966,-0.339627888,-0.315766226,-0.47323868,-0.233250654
5003,C15 H N2 O22 P,C15 H N2 O22 P,591.8739,12.943038,1.620325892,1.777062499,1.490034966,1.515504641,1.753271538,1.618714695,1.656926073,0.685470238,0.785065587,0.566654734,0.68037239,0.685813904,0.69852787,0.677051502
5004,C11 O17 P,C11 O17 P,434.8873,5.635989,0.908580498,1.084304241,0.629638154,0.979103887,0.758069328,0.86010261,0.956886983,0.256324254,0.349936939,0.144645963,0.26787588,0.237116941,0.255609811,0.256784881
5005,C47 H93 O14 P S2,C47 H93 O14 P S2,976.5746,14.574968,0.221419165,0.227454188,0.06903516,0.208209104,0.178429859,0.056455064,0.247153387,-0.076917858,-0.140200535,-0.001422734,-0.022630992,-0.162231808,-0.017018025,-0.115537487
5006,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+9.603021",598.3824,9.603021,0.467143385,0.695205781,0.140657461,0.42424344,0.396968409,0.614800576,0.343417863,0.216987554,0.35482419,0.052550866,0.235953224,0.166500389,0.346272988,0.133632472
5007,C48 H93 O13 P,PI(21:0/18:0),907.6267,13.76801,0.19938107,0.037043876,0.257821872,0.332813409,0.048046674,0.153200415,0.091718877,-0.206328747,0.041863417,-0.502417644,-0.259760899,-0.166966723,-0.136834487,-0.251134256
5008,C34 H67 Cl N S2,C34 H67 Cl N S2,584.4126,15.082019,1.398402698,1.445038568,1.355704609,1.348999625,1.429487599,1.296508017,1.41567666,-0.912695115,-1.026716382,-0.776669744,-0.825390998,-1.047270463,-0.742273496,-1.022572211
5009,C47 H72 O5,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)",716.5466,14.843995,1.140504689,1.021240645,1.083935217,0.979069406,1.216721932,0.771101625,1.267760648,-0.828861162,-0.826882657,-0.831221483,-0.677828108,-1.056323317,-0.61155398,-0.968967108
5010,C58 H52 N10 P,C58 H52 N10 P,919.4104,8.551018,0.41550263,0.345213107,0.450332848,0.365550152,0.383476966,0.369072171,0.444838446,0.351843035,0.3191246,0.390875555,0.347747979,0.345992545,0.348508804,0.353992737
5011,C24 H28 O7,3-Isomangostin hydrate Esi+9.881999,428.1841,9.881999,0.789124515,0.897227699,0.77731477,0.814194059,0.781203996,1.16619402,0.560696017,-0.265965183,-0.333537026,-0.18535316,-0.295054298,-0.236830164,-0.382068284,-0.191109237
5012,C43 H74 N O9 P,"PE(16:0/22:6(54Z,7Z,10Z,12E,16Z,19Z)(14OH))",779.5146,13.220966,0.136116559,0.005917244,0.207156539,0.093817967,0.147381806,0.018628941,0.136531517,0.017489586,0.141731084,-0.130728341,0.08312849,-0.096198142,0.18614678,-0.091249921
5013,C24 H51 N O7 P,PC(16:0/0:0)[rac] Esi+12.312991,473.3505,12.312991,1.372498643,1.364348538,1.063303445,1.312211001,1.149620998,1.259425861,1.241161087,-1.458702524,-1.599791355,-1.290386024,-1.462041361,-1.444287176,-1.521364478,-1.418302054
5014,C38 H62 O9,Goyaglycoside c Esi+13.114991,662.4427,13.114991,0.819119273,0.934309162,0.797609773,0.819966581,0.856550301,0.763009667,0.93661256,0.411402216,0.466723463,0.345404939,0.447931138,0.352248236,0.393106404,0.4231982
5015,C18 H32 O3,12(13)-EpOME Esi+15.844975,296.2345,15.844975,0.50674094,0.566885848,0.354692275,0.748302174,0.18849122,0.715101494,0.292692956,-0.629379709,-0.846152717,-0.370773313,-0.934256602,-0.24392328,-1.029396814,-0.371473943
5016,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.1689935,258.1443,5.1689935,0.001052806,0.121307882,0.139864596,0.012269691,0.016483383,0.074964673,0.073707279,0.002769933,0.070676357,-0.078241239,0.014903861,-0.027804474,0.083519691,-0.049292411
5017,C42 H72 O13,Ginsenoside Rg3 Esi+14.204032,806.4789,14.204032,0.131375038,0.041514512,0.35941464,0.123779006,0.119582317,0.171144123,0.10548659,0.180654854,0.045144657,0.342316142,0.213520147,0.134841846,0.207160725,0.163565543
5018,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+4.835003 :2,186.0891,4.835003,0.403600527,0.25369267,0.574565106,0.197429081,0.53768541,0.453088454,0.339851869,0.411433301,0.276854656,0.571983263,0.317043013,0.508776345,0.537857251,0.329923122
5019,C32 H56 O4,C32 H56 O4,504.4171,16.84906,1.195005847,1.161550121,1.148908304,1.244974844,1.053728998,1.111425557,1.155119138,-0.761526147,-0.84620779,-0.660502432,-0.769228639,-0.770970379,-0.698050877,-0.802450992
5020,C23 H39 N O4,C23 H39 N O4,392.2761,10.677983,1.862586281,2.022706482,1.679698155,2.061840295,1.704867256,1.949006775,1.843127855,2.697571536,2.803194249,2.571565493,2.688640727,2.693362697,2.6887473,2.703260846
5021,C12 H24 N O5,3-Hydroxyisovalerylcarnitine Esi+0.875,261.1562,0.875,0.25509289,0.158481271,0.367591713,0.464236438,0.116705574,0.513904878,0.026058091,-0.102302836,-0.067707882,-0.14357401,-0.118027371,-0.088180794,-0.172703982,-0.056912624
5022,C14 H26 N6 O6,Arg Glu Ala,374.1925,6.666993,0.326832928,0.378019429,0.200956607,0.286026412,0.300253454,0.04994053,0.438800151,0.232531272,0.379178377,0.057583847,0.22622784,0.240968261,0.023475854,0.367317002
5023,C45 H79 O7 P,"PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+15.629947",762.5585,15.629947,0.25408245,0.267090637,0.15843058,0.24424628,0.285976737,0.394402035,0.085003559,-0.097318206,-0.134768547,-0.052640606,-0.093256899,-0.115283761,-0.178335016,-0.045083684
5024,C31 H38 O7,Exiguaflavanone D,522.2635,6.1040034,0.156310248,0.181794082,0.588343469,0.014999703,0.423166662,0.206053032,0.424277364,-0.134852812,0.090436799,-0.403619366,-0.008664197,-0.330269098,0.125408014,-0.302652555
5025,C32 H66 N2 O3 S2,C32 H66 N2 O3 S2,590.4525,15.289013,0.579091896,0.64539368,0.35643134,0.453457238,0.609813505,0.509672102,0.534421828,-0.404133297,-0.576914955,-0.198007809,-0.290940023,-0.565995073,-0.459934002,-0.368156526
5026,C19 H O23,C19 H O23 Esi+11.010988,596.8909,11.010988,0.709862222,0.639373722,0.796955948,0.643552029,0.757780408,0.7885715,0.701838642,0.441585243,0.469481548,0.408305442,0.46488326,0.38664615,0.569412154,0.359170524
5027,C26 H55 N7 O3 P S2,C26 H55 N7 O3 P S2,608.3511,13.565991,1.23311555,1.111479737,1.228509272,1.375117647,0.904508469,1.245136364,1.131189582,1.132203509,1.069643396,1.206836626,1.202990111,1.013380014,1.159398042,1.114670191
5028,C24 H47 N O7,Glucosyl sphingosine,461.3411,14,0.030718737,0.198949941,0.376832687,0.037546925,0.130033793,0.066626836,0.085468944,0.023034131,-0.067171121,0.130647415,0.020013826,0.023962484,0.010969557,0.030812607
5029,C24 H51 N7 O4 P,C24 H51 N7 O4 P,532.3739,14.593014,0.672318913,0.754564906,0.337663768,0.587018992,0.604146456,0.541757794,0.615052739,-0.404363157,-0.59380226,-0.178365631,-0.351906057,-0.493243747,-0.34481893,-0.442753515
5030,C15 H24 O5,Dihydroartemisinin Esi+10.025983,284.1617,10.025983,0.729052264,0.892987095,0.368284586,0.741498558,0.582219367,0.642916934,0.703500592,-0.685538131,-0.937088146,-0.385443376,-0.656487568,-0.668727563,-0.704433705,-0.673355458
5031,C15 H24 N6 O5,His Asn Val Esi+7.401985,368.1811,7.401985,0.612535879,0.474043995,0.689199038,0.655001761,0.524891785,0.546639703,0.626927996,-0.24742777,-0.203271364,-0.300105589,-0.280716725,-0.229606814,-0.218403046,-0.266141079
5032,C42 H63 N O7,Spirolide B Esi+12.139975,692.4531,12.139975,1.927329493,1.841585534,1.820732186,1.912427521,1.74796697,1.824976703,1.877630981,1.609517332,1.650882782,1.560169076,1.652727074,1.520671476,1.678490553,1.565047755
5033,C27 H36 O,10'-apo-beta-carotenal,376.282,13.487041,0.293576056,0.564328732,0.276073655,0.148540231,0.220160288,0.401932767,0.11424635,-0.069248468,-0.211451683,0.100397472,-0.065952331,-0.075699344,-0.143921934,-0.021103733
5034,C42 H62 O11,Avermectin A1a monosaccharide Esi+13.1120405,764.4111,13.1120405,1.043232486,0.644275849,1.675324529,1.092771893,1.101310307,0.902579983,1.180521727,0.494393697,0.341005004,0.677383717,0.506155693,0.480588855,0.42718062,0.537728444
5035,C10 H25 Cl N6 O5 S5,C10 H25 Cl N6 O5 S5 Esi+12.844975,504.0194,12.844975,0.172113972,0.055662846,0.4639188,0.04151833,0.412679781,0.139612977,0.316081423,0.109313623,0.075071754,0.150163571,0.104628349,0.104583315,0.115489139,0.105332041
5036,C26 H6 N4 O17 P,C26 H6 N4 O17 P Esi+12.642025,676.9464,12.642025,1.622947853,1.619368676,1.723444096,1.648108335,1.656143892,1.684296193,1.684310119,0.850794898,0.866216032,0.832397756,0.866317489,0.810551415,0.892771536,0.823731013
5037,C20 H28 N25 O P,C20 H28 N25 O P,665.2643,5.797985,1.879378499,1.785625152,1.796913451,1.678383078,2.043246785,1.684926579,1.929551603,1.588686366,1.642624078,1.524339621,1.441542156,1.814311677,1.564774048,1.604103518
5038,C28 H58 Cl N9 O4,C28 H58 Cl N9 O4,619.4276,13.499019,0.941945065,0.758698245,1.25537358,0.976399906,0.959253051,0.931384573,1.010973064,0.914894684,0.707283631,1.162571028,0.898986851,0.9281247,0.840373219,0.962941419
5039,C33 H12 N5 O S2,C33 H12 N5 O S2,558.0485,11.459979,0.745010661,0.661902252,0.777072291,0.82489711,0.548972848,0.459694313,0.812672882,-0.334899064,-0.295957828,-0.381355275,-0.32379648,-0.369958111,-0.159023251,-0.44829268
5040,C24 H40 O8,C24 H40 O8 Esi+10.951001,456.2711,10.951001,1.605164244,1.583335677,1.628100366,1.609321004,1.634240457,1.655694507,1.642296629,1.675714773,1.673772872,1.678031426,1.679779783,1.633726551,1.706984971,1.655553724
5041,C17 H25 N3 O5,Gly Leu Tyr,350.171,11.517981,2.342217815,2.214677801,2.620028523,2.434289679,2.471743897,2.354625339,2.450198162,2.034606558,1.814881851,2.296734279,1.930582325,2.170866617,1.91090728,2.11436004
5042,C16 H28 N6 O4,Pro Arg Pro Esi+9.938985 :1,368.2168,9.938985,2.23143836,2.143129977,2.470624417,2.175246709,2.477959113,2.049490492,2.445067766,2.470126963,2.199704468,2.792736255,2.278534089,2.728611118,2.231712021,2.623841859
5043,C27 H57 N O6 P,PC(O-18:1(9Z)/O-1:0),539.4129,13.100023,0.147797263,0.419055183,0.224798442,0.320830757,0.285995242,0.663781081,0.211041455,-0.085099715,-0.305609928,0.1779651,-0.267909643,0.200534198,-0.412847932,0.126211635
5044,C29 H50 O9,C29 H50 O9,542.3475,12.699971,1.397456737,1.369431592,1.212831383,1.450684859,1.120426151,1.351434576,1.284856258,1.150231207,1.193487225,1.098627536,1.263403544,0.999790051,1.226192563,1.101256122
5045,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+14.197017",575.4019,14.197017,1.261678215,1.257626022,1.086838318,1.216696077,1.112590992,1.115599352,1.226081369,1.114931716,1.166305833,1.053643296,1.133685294,1.070273233,1.099521556,1.124867214
5046,C23 H28 N4 O2,PAC-1,392.2222,11.243011,1.802005633,1.752292373,1.724754185,1.790605816,1.71240785,1.699761398,1.804960632,2.355591086,2.459264942,2.231909996,2.468600056,2.159384159,2.45855411,2.289207031
5047,C9 H13 N,"(S)-(-)-N,alpha-Dimethylbenzylamine Esi+4.4459996",135.1046,4.4459996,1.538806897,1.645675022,1.30505058,1.536983223,1.640193737,1.466742809,1.570019816,-0.494159048,-0.566988435,-0.407274867,-0.46410432,-0.53066096,-0.472623298,-0.50804394
5048,C23 H42 N7,C23 H42 N7,416.3497,16.530025,1.717037345,1.947448953,1.660856222,1.934591776,1.943291055,1.983281163,1.824540727,-1.818489756,-1.989988399,-1.613894884,-1.723186964,-1.92198874,-1.59121493,-1.965022209
5049,C30 H50 N9 O3,C30 H50 N9 O3,582.4036,15.039012,0.090990219,0.161698962,0.04236021,0.120990056,0.011840718,0.29340817,0.183027499,0.11653598,0.040691096,0.207017595,0.067375325,0.17347086,0.227356087,0.045086174
5050,C33 H38 O7,Morellinol,546.2626,13.8830385,0.260585781,0.502273356,0.257727888,0.03771565,0.434223427,0.142223149,0.206248716,-0.075314707,-0.176964249,0.045951413,-0.008289664,-0.166255959,-0.085378726,-0.068826063
5051,C21 H35 N8 O4,C21 H35 N8 O4,463.2776,9.900985,0.737881354,0.442264723,1.110761799,0.586829658,0.858761473,0.582547994,0.840782755,0.82924481,0.56166073,1.148467924,0.746095019,0.947381831,0.668672073,0.93277197
5052,C36 H69 O13 P,PI(15:0/12:0) Esi+8.119013,740.4526,8.119013,0.006179979,0.172022614,0.230082244,0.004633049,0.012697965,0.146894849,0.086377618,-0.026552566,0.074123389,-0.146657214,-0.022906605,-0.043100393,0.064098338,-0.084998543
5053,C23 H12 N2 O21 P,C23 H12 N2 O21 P,682.967,10.83498,0.946126175,0.886571143,1.020432262,1.127340635,0.710894834,0.795352074,0.949960213,-0.519250711,-0.457155177,-0.593329593,-0.536610993,-0.514117513,-0.365150355,-0.618604888
5054,C24 H38 N6 O8,C24 H38 N6 O8,538.2743,12.483981,0.646108951,0.758104447,0.374078373,0.473661749,0.736755778,0.468360595,0.699789875,-0.820162889,-1.086718955,-0.50216618,-0.560017736,-1.166412526,-0.727712923,-0.879768789
5055,C20 H26 N6 O5,Phe His Gln,452.1802,10.930001,0.185427067,0.079492023,0.473760696,0.537074668,0.191538804,0.350962796,0.163887863,0.112310934,0.055494065,0.180092461,0.221363335,-0.04843655,0.140398351,0.094201941
5056,C15 H22 O4,Isoleptospermone Esi+5.9460106,266.1493,5.9460106,0.585385541,0.61306569,0.510299968,0.461506491,0.68560805,0.494419211,0.567004397,0.288047999,0.32866149,0.239596816,0.295636726,0.281610587,0.311625758,0.272846549
5057,C22 H28 O3 S,"17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate",394.1597,10.389998,1.811517847,1.629826905,1.972318968,1.782480231,1.864116319,1.733519645,1.854817283,1.834939808,1.595305126,2.12081978,1.741234385,1.932856086,1.767618334,1.878344442
5058,C15 H17 N3 O3 S,Ro 19-4603,319.1017,6.646982,0.375244457,0.224831578,0.699736481,0.280009702,0.640238673,0.021445361,0.569865571,-0.231004368,-0.111809528,-0.373201722,-0.09058598,-0.455581349,0.025503961,-0.396384739
5059,C24 H30 O7,Melleolide H Esi+8.472017,430.2036,8.472017,0.192759721,0.449057579,0.097129588,0.282475372,0.002901748,0.739067716,0.208767994,-0.06519203,-0.114934931,-0.005849621,-0.149762386,0.044663578,-0.280638951,0.073714538
5060,C33 H63 N O3,Cer(d18:2/15:0),538.5067,13.861025,1.949721304,2.004670269,1.862039556,1.822890913,2.139968723,1.986260999,1.93930546,-1.279610124,-1.374744821,-1.166116099,-1.188231534,-1.415346378,-1.299972092,-1.266482013
5061,C15 H26 O5,C15 H26 O5 Esi+8.620985,286.1774,8.620985,1.297776603,1.26633579,1.451477601,1.384602016,1.339089576,1.259474352,1.398558779,0.661020913,0.563699655,0.777123466,0.600844535,0.740553051,0.603295945,0.698238326
5062,C20 H41 N5 O9,Antibiotic JI-20B Esi+10.968995,512.314,10.968995,0.460948774,0.782802782,0.235824182,0.504055957,0.258915318,0.567800066,0.300377575,-0.165746801,-0.35672757,0.062089906,-0.183059102,-0.133786645,-0.251453704,-0.110488403
5063,C27 H32 O6,Kushenol D,452.2171,10.516013,0.977974722,0.880977894,0.986853584,0.891087336,0.930038744,0.748029816,1.078890938,-1.075939187,-0.946171493,-1.23074977,-0.990362541,-1.181481523,-0.824980614,-1.237741426
5064,C30 H44 O4,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid Esi+15.089043",468.3206,15.089043,0.920646614,1.068037605,0.491729006,0.924482895,0.783590791,0.863065838,0.852344505,-0.319967851,-0.434758212,-0.183024966,-0.315368931,-0.337307596,-0.332078648,-0.312159575
5065,C19 H40 O7,C19 H40 O7 Esi+9.624017,380.2759,9.624017,0.763561433,0.980265408,0.479266424,0.729739154,0.746548044,0.727888373,0.78442637,0.530296117,0.736046885,0.284839061,0.453239694,0.635307124,0.484838505,0.559604314
5066,<none>,<none> Esi+13.459976,395.4121,13.459976,0.262404031,0.115875024,0.383488649,0.204267492,0.267926672,0.15560975,0.276482736,0.323371619,0.152607335,0.527090413,0.28371892,0.35551591,0.187593607,0.410912705
5067,C21 H30 N4 O4 S,Met Val Trp,451.2261,12.697018,1.709870935,1.404351959,2.103983921,1.642366815,1.856124662,1.665230776,1.787840873,1.552445513,1.304536393,1.848196745,1.463551133,1.680253636,1.445646841,1.621302552
5068,C9 H15 N O3,Otonecine,185.1066,0.8289985,0.038196044,0.257401158,0.292222568,0.080036104,0.129165274,0.238969569,0.173610772,-0.051831276,-0.145798247,0.060269672,-0.079816987,-0.000881951,-0.113607172,-0.01200208
5069,C15 H42 N16 O5 P,C15 H42 N16 O5 P,557.3248,6.7889795,1.433809651,1.364031091,1.493000394,1.2652956,1.618456565,1.347805226,1.436341455,0.98599141,0.806441093,1.200191788,0.812573555,1.215318494,0.795794842,1.108618144
5070,C45 H77 O8 P,"PA(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",776.5301,14.148983,0.453843262,0.563387206,0.191314421,0.482054391,0.363271953,0.502739811,0.334030304,-0.28191528,-0.477595555,-0.048472144,-0.255454675,-0.334227503,-0.315794102,-0.260072355
5071,<none>,<none> Esi+13.906987,980.6714,13.906987,0.615378516,0.48110048,0.788529138,0.700768696,0.521536482,0.505452918,0.710286621,-0.520857724,-0.358104784,-0.715019127,-0.495840539,-0.585605548,-0.339063294,-0.638067291
5072,C19 H35 N O4,CAY10580 Esi+9.43799 :1,341.2563,9.43799,0.6404146,0.56938687,0.713272988,0.592998171,0.746640802,0.702304349,0.665740322,0.453670394,0.442082714,0.467494292,0.396651622,0.524840319,0.421598472,0.474348343
5073,C19 H37 N O5,C19 H37 N O5,359.2665,8.870988,0.184824794,0.025144961,0.343567403,0.239885103,0.059034252,0.164542113,0.086783438,-0.122816815,-0.031639446,-0.231589815,-0.131044886,-0.127639409,-0.102593791,-0.135855343
5074,C13 H24 N7 O,C13 H24 N7 O Esi+6.037996,294.204,6.037996,0.149046774,0.078752444,0.466136636,0.006407808,0.349781465,0.030377226,0.234716568,-0.125160767,0.004493611,-0.279836164,-0.052767337,-0.242468476,-0.027749287,-0.187965537
5075,C41 H89 Cl N4 P S4,C41 H89 Cl N4 P S4,831.5405,12.199973,0.722991258,0.585040278,0.979185359,0.67191372,0.764864121,0.794394525,0.688907706,0.684233656,0.618594096,0.762540499,0.686413554,0.651592642,0.772501404,0.627324187
5076,C16 H28 O5,Tetranor-PGF1alpha Esi+9.421002,322.1753,9.421002,1.524723483,1.39752381,1.753985617,1.525982017,1.574018858,1.482910788,1.604423036,1.353049116,1.170498427,1.570828885,1.328788621,1.373814297,1.275999188,1.402726043
5077,C29 H54 S2,C29 H54 S2,466.3787,14.016029,1.066396832,1.140014361,0.931015375,1.050962083,1.091083845,1.106343102,1.04606689,-0.904962022,-0.981104095,-0.814125866,-0.802143874,-1.006649818,-0.8521523,-0.939010396
5078,C40 H57 N6 O2 P,C40 H57 N6 O2 P,684.4367,14.212963,0.031775358,0.144758007,0.169820419,0.046505636,0.052930226,0.058062375,0.035504251,-0.028051495,-0.094144753,0.050796601,0.022635245,-0.101887034,0.0181256,-0.05782357
5079,C23 H32 N4 O4,Nummularine F Esi+12.581035 :1,428.2422,12.581035,1.621909324,1.347273633,1.818181918,1.539264668,1.634026502,1.530497285,1.612755559,1.60430789,1.354841975,1.90191635,1.533761515,1.708834869,1.428715163,1.71751899
5080,C25 H28 N13 O22 P,C25 H28 N13 O22 P,893.1206,14.18504,0.968692646,0.920404864,0.802701519,1.083377884,0.661029127,0.844088099,0.940144738,-0.539111712,-0.595454017,-0.471896332,-0.544259262,-0.556587781,-0.45866036,-0.590981663
5081,C15 H26 N7 O,C15 H26 N7 O,320.2188,9.947016,1.547464807,1.458697585,1.597059184,1.360609062,1.758487687,1.326896871,1.69422747,0.568160838,0.545719814,0.594932585,0.527059615,0.644735435,0.518519133,0.600166674
5082,C22 H47 N O7 P,LysoPC(14:0) Esi+10.469976,485.3369,10.469976,0.271254311,0.247818796,0.209647981,0.392379376,0.052844199,0.088542697,0.284451324,-0.109534784,-0.097059428,-0.124417666,-0.133459662,-0.103536029,0.002809194,-0.181967086
5083,C29 H59 N O8 P,PC(9:0/12:0)[U] Esi+15.0900345,562.3605,15.0900345,0.174497796,0.34265548,0.245224058,0.108168237,0.192141185,0.075092691,0.20833405,0.037410801,-0.110980239,0.214438708,0.071948993,-0.032385851,0.106414315,-0.007078307
5084,C14 H27 Cl2 O P,C14 H27 Cl2 O P,312.1198,6.6839952,1.913046259,1.778318836,1.72804298,1.760366748,1.777798311,1.679264884,1.849946861,1.953969346,1.882134145,2.03966748,1.919329665,1.986156274,1.961310382,1.949236309
5085,C14 H28 O5,C14 H28 O5 Esi+9.847002,276.1933,9.847002,1.682588151,1.658234312,1.728369637,1.684400676,1.873252968,1.600465353,1.815330434,0.517515486,0.484123124,0.557351989,0.450523876,0.601498747,0.428709388,0.574772049
5086,C32 H50 O10,13-Deoxytedanolide Esi+12.623019,594.337,12.623019,2.400958125,2.226437043,2.417729163,2.320085373,2.407600928,2.171096309,2.457375729,4.402967471,4.151088172,4.703455056,4.283333743,4.54320958,4.189772034,4.540422424
5087,C35 H58 N4 O5 S,Prostaglandin A1-biotin Esi+13.979984,668.3894,13.979984,0.005377899,0.183529661,0.233381305,0.021711428,0.000759576,0.091467824,0.091442598,0.055973353,-0.059440247,0.193659753,0.052169293,0.057826981,-0.009727159,0.098332894
5088,C14 H27 N O4,C14 H27 N O4,273.1951,6.2760005,0.660817952,0.672954859,0.4098168,0.37680268,0.851310635,0.126202414,0.917333021,0.442790151,0.505887374,0.36751627,0.27502821,0.671572722,0.127739346,0.645915012
5089,C15 H16 O4,Kanzonol Q Esi+5.743004,260.1054,5.743004,0.892909463,0.583702873,1.24843918,0.806116531,0.821621328,0.739911461,0.947350038,0.783279631,0.51737296,1.100501624,0.784648136,0.752357917,0.710640993,0.830112436
5090,C9 H17 N O3,(E)-2-Butenyl-4-methyl-threonine,187.1203,5.156005,0.067224458,0.218948912,0.436020746,0.120838229,0.282411623,0.080881137,0.088079335,0.077712158,-0.133679649,0.329898876,0.003813548,0.170125054,0.167648861,0.019726653
5091,C19 H21 N6 O21 P S,C19 H21 N6 O21 P S,732.0216,14.437989,0.831042548,0.932405229,0.569861148,1.028680665,0.491123987,0.848679431,0.754743783,-0.373385726,-0.451286917,-0.280450973,-0.415574409,-0.329303775,-0.361804398,-0.380852635
5092,<none>,<none> Esi+14.006035 :1,842.087,14.006035,0.404553836,0.483193336,0.087218172,0.445528887,0.144204928,0.278751213,0.340485583,-0.133725909,-0.194901062,-0.060745025,-0.128747896,-0.156407394,-0.083755709,-0.165943538
5093,C29 H58 N2 O6 S2,C29 H58 N2 O6 S2,594.3768,14.354984,0.803337857,0.609111922,1.089168341,0.659505727,0.980733658,0.947442412,0.739148813,0.732846474,0.634651424,0.849991446,0.64224013,0.830429444,0.751167924,0.72103396
5094,<none>,<none> Esi+14.121026,703.4923,14.121026,0.413054577,0.686105526,0.113332309,0.326486605,0.277713347,0.247846041,0.357957551,-0.202039547,-0.329292037,-0.050229559,-0.125237448,-0.282823154,-0.138220887,-0.243185788
5095,C29 H59 N8 O7,C29 H59 N8 O7 Esi+10.121995,631.4491,10.121995,0.066531678,0.003418892,0.177630514,0.383783216,0.187262607,0.238615634,0.06610033,-0.075831384,0.011678458,-0.180229091,-0.193584705,0.072340933,-0.132877334,-0.039051758
5096,C14 H19 N2 O2,Hypaphorine,246.1376,4.25,0.005779953,0.214947147,0.274019054,0.103530593,0.156994667,0.084590926,0.095708505,0.138812749,0.495065983,-0.28619111,0.134420984,0.197066682,0.22138844,0.085573158
5097,C27 H46 N3 O4,C27 H46 N3 O4,474.3322,14.602034,0.922652033,0.912284212,0.753249047,0.81966816,0.869300827,0.775211456,0.881775656,-0.499967168,-0.582982844,-0.400930922,-0.430678181,-0.606678485,-0.410420456,-0.557701232
5098,C19 H27 Cl N2 O13 S2,4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide glucuronide,589.0519,12.137962,1.52678367,1.413366832,1.445656228,1.380408417,1.40601403,1.319017399,1.533818532,1.971138845,1.941689635,2.006271235,1.954800786,1.972736765,1.900937952,2.016399947
5099,C36 H65 O8 P,"PA(20:3(8Z,11Z,14Z)/13:0) Esi+12.718014 :1",655.4373,12.718014,1.544942443,1.520440321,1.678859929,1.53183576,1.635009554,1.520981263,1.66295794,0.701964633,0.716987426,0.684042705,0.701059765,0.685910098,0.714191875,0.694081281
5100,<none>,<none> Esi+12.760009 :1,770.0304,12.760009,0.149556567,0.068843906,0.663992991,0.076476643,0.534124209,0.110864451,0.301360782,0.09963272,-0.011318213,0.231995238,0.015887075,0.192870354,0.070811548,0.118214792
5101,C16 H24 O7,PGDM Esi+4.9899926,328.1502,4.9899926,1.145805819,1.225268354,1.275033936,1.169864524,1.305550547,1.486436599,1.075919854,-0.605987597,-0.528066067,-0.698946616,-0.573514715,-0.648355764,-0.70655031,-0.541151111
5102,C6 H8 O2,4-Hexynoic acid Esi+7.365994,112.0523,7.365994,0.745148114,0.898004101,0.414882009,0.880122636,0.470304113,0.849631864,0.528204079,-0.946004345,-1.320486224,-0.499254033,-1.13860523,-0.662404657,-1.069136926,-0.866616233
5103,<none>,<none> Esi+13.489012,529.6907,13.489012,1.960359159,1.998634275,1.974452427,1.99040956,2.022835133,2.088667824,1.950995108,1.072198318,1.116393077,1.019474745,1.083264268,1.042103403,1.120499587,1.04105671
5104,C23 H34 N13 O,C23 H34 N13 O Esi+12.765005,508.3006,12.765005,2.075124676,1.931070842,2.253887749,2.012939034,2.175614785,1.900753328,2.205712119,2.75558734,2.52919987,3.02566362,2.558674949,2.995841736,2.593479368,2.860104321
5105,C23 H45 N O3 P S,C23 H45 N O3 P S,446.287,9.474014,0.321071243,0.631290321,0.034928366,0.210077764,0.39218308,0.256748773,0.406779895,0.240434898,0.4854417,-0.051853917,0.167247097,0.305437741,0.200704455,0.266050579
5106,C27 H42 N10,C27 H42 N10 Esi+13.784001,506.3482,13.784001,0.082735064,0.23438834,0.083881079,0.078322775,0.104124165,0.110350284,0.23026938,-0.022767045,-0.016747495,-0.029948261,-0.032212253,-0.01529488,0.138775287,-0.126919338
5107,C36 H63 N5 O6,C-12 NBD-dihydro-Ceramide Esi+14.324968,683.4697,14.324968,1.416095087,1.540366143,1.345919966,1.371482797,1.450510529,1.437857523,1.444169563,1.674056002,1.679284911,1.667818005,1.689806354,1.660776576,1.701505594,1.656358238
5108,C48 H79 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)) Esi+14.239013",894.5321,14.239013,0.161470889,0.078772421,0.370675781,0.025808446,0.232974958,0.19194395,0.097336572,0.188979041,0.062146813,0.340287664,0.165061786,0.230714827,0.23125413,0.161722734
5109,C13 H18,"1,2,3,4,tetrahydro-1,5,7-trimethylnapthalene Esi+7.316013",191.1672,7.316013,1.251300769,1.394299354,1.039617658,1.314250785,1.37542596,1.408049383,1.244918539,-0.325171015,-0.386097896,-0.252486314,-0.299527316,-0.36665415,-0.343404562,-0.313415175
5110,C25 N O10 P S5,C25 N O10 P S5,664.7884,13.246022,0.600605244,0.551941156,0.492777677,0.616440534,0.339471096,0.52575063,0.558702352,-0.190630669,-0.229114451,-0.144720192,-0.204734141,-0.185800131,-0.208856823,-0.178879596
5111,C18 H34 N2 O12,C18 H34 N2 O12,470.2139,8.421999,1.014821367,1.00519704,0.909918083,1.001579086,1.012220314,1.27135654,0.856061303,1.149207446,1.127277519,1.175369464,1.106986147,1.177272185,1.32332875,1.036945026
5112,C48 H74 N4 O3 P S,C48 H74 N4 O3 P S,815.5445,14.383038,1.299939806,1.396949111,1.074578301,1.25131136,1.311938681,1.174665905,1.37436593,-0.910300939,-1.051876576,-0.741403689,-0.796925493,-1.057008885,-0.808740861,-0.975780464
5113,C42 H74 O16,Notoginsenoside J,834.5106,14.428969,0.818608718,0.72949451,1.039244073,0.947541524,0.756579014,1.026314953,0.689625989,0.617571951,0.535193843,0.715847587,0.702092985,0.508371295,0.728221744,0.546231952
5114,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.3000116",320.1231,6.3000116,0.071277946,0.101678947,0.064382325,0.154893769,0.051687861,0.416711148,0.202358989,0.033648924,0.149457757,-0.104508982,0.171616614,-0.208022797,0.630149254,-0.350936815
5115,C14 H31 N O2,C14 H31 N O2,245.2351,8.107023,0.306353576,0.089668294,0.604788008,0.053518132,0.772416693,0.229079721,0.678767247,0.213597659,0.0922026,0.358419835,0.013787442,0.530202002,-0.136756256,0.439483736
5116,C14 H27 N O2,"(4E,6E,d14:2) sphingosine",240.1956,6.762976,0.051469763,0.182937384,0.180575457,0.144744503,0.136615332,0.137285011,0.03518446,0.005459389,-0.100301069,0.13162976,-0.063634871,0.093704721,-0.051547538,0.042213855
5117,C32 H58 N2 O5 S,C32 H58 N2 O5 S,582.3397,11.319991,0.01646407,0.093098595,0.182122653,0.006420356,0.130147752,0.12882694,0.067536303,0.077108786,0.136954404,0.005714014,0.186317706,-0.086732709,0.236676622,-0.025770477
5118,C39 H60 O5,"DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) Esi+14.15997",607.4396,14.15997,0.510415768,0.664189869,0.065166257,0.642956758,0.229901497,0.402942468,0.434782591,-0.184050075,-0.276494175,-0.073765885,-0.197318255,-0.178763702,-0.132993697,-0.216968003
5119,C33 H48 N4 O6,L-Urobilinogen Esi+12.845965,596.3561,12.845965,2.559237669,2.395944896,2.662702652,2.528860874,2.608424468,2.424999031,2.608778953,4.04265115,3.840486305,4.283830264,3.938044554,4.171173107,3.844693674,4.170281628
5120,C18 H26 O7,Propofol glucuronide,354.1657,8.31299,0.870330508,0.902757615,0.997188021,0.983785454,0.965180217,1.407201997,0.65993264,1.218455688,1.169370841,1.27701305,1.281375103,1.135009067,1.604404593,0.96962021
5121,C19 H20 S,C19 H20 S,278.1126,6.46301,1.030008787,1.090439534,1.08734854,1.041197477,0.978221611,1.112012869,0.970451846,0.766691943,0.757631618,0.777500752,0.800715023,0.695822808,0.820716175,0.73186053
5122,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+4.663005,170.095,4.663005,0.017006249,0.181543493,0.3726341,0.051197868,0.033413059,0.265748796,0.122152359,0.0677925,-0.065337745,0.226614547,0.12646689,-0.013195337,0.250494078,-0.050001938
5123,C43 H72 O11,Narasin Esi+8.766996,763.4926,8.766996,0.879718914,0.856603864,0.895405869,0.992115606,0.680215738,0.727011038,0.890205796,-0.489600895,-0.438865087,-0.550127823,-0.511139026,-0.47534903,-0.37440301,-0.563873215
5124,C23 H32 O8,Polhovolide Esi+10.128006,436.2075,10.128006,0.029633578,0.065587449,0.170952037,0.100349401,0.109248244,0.238247377,0.103189322,0.104385683,-0.038238441,0.274533762,0.105458967,0.075323341,0.313747422,-0.030597543
5125,C50 H93 O13 P,"PI(19:0/22:2(13Z,16Z))",931.6229,14.763976,1.433551242,1.441247526,1.239221732,1.486447444,1.267159902,1.398921463,1.361047059,-1.176155593,-1.267834884,-1.066783808,-1.147233005,-1.234460735,-1.162123945,-1.185202313
5126,C23 H29 N O9,Etodolac glucuronide,463.1853,7.0589924,0.639106572,0.489458753,0.71586117,0.59216686,0.591716186,0.573473084,0.60837674,0.620053382,0.61992417,0.620207529,0.735124507,0.481872076,0.728759747,0.549966383
5127,C25 H45 N15 O,C25 H45 N15 O,570.3473,8.865989,0.221968828,0.073875718,0.354395137,0.121649952,0.225301202,0.196414873,0.236157849,0.139464023,0.105190368,0.180351892,0.119494452,0.14158895,0.164200439,0.123515544
5128,C26 H28 O7,Heteroartonin A,452.184,8.975989,0.090267551,0.116102745,0.537676227,0.161784057,0.181984629,0.200454859,0.404475972,0.067167773,0.013368211,0.131349708,0.036446423,0.092686813,-0.066306384,0.15322348
5129,C13 H23 N O3,Dioscoretine,241.1663,7.267978,0.34042683,0.091229836,0.550112576,0.288576619,0.398873647,0.081167379,0.501084128,-0.237719162,-0.032773211,-0.482216087,-0.116171579,-0.418200206,0.068826036,-0.435360146
5130,C35 H66 O8,Donhexocin,613.4741,13.885009,0.363358023,0.572065239,0.044628892,0.436849694,0.168447989,0.3157497,0.308078877,-0.181123697,-0.364789771,0.037986706,-0.200067907,-0.16907057,-0.138792136,-0.208416414
5131,C22 H41 N O7,Sphingofungin D Esi+11.115984,431.293,11.115984,0.180512529,0.155150651,0.274830853,0.148615151,0.23133984,0.335227534,0.153424945,0.112271013,0.121409076,0.101369464,0.13638405,0.050730694,0.212514295,0.047640475
5132,C39 H77 N2 O7 P,"PE-Cer(d15:2(4E,6E)/22:0(2OH))",715.5425,14.846975,0.655945865,0.674065619,0.427542815,0.44357999,0.730578491,0.56457294,0.62259625,-0.439255684,-0.528432116,-0.332869765,-0.375399069,-0.535473905,-0.404596453,-0.461601767
5133,<none>,<none> Esi+10.631012,523.8433,10.631012,0.513434958,0.754450756,0.200429129,0.476598019,0.442407181,0.653985882,0.411355026,0.299932341,0.438899316,0.134147178,0.329373169,0.237026025,0.413705789,0.226578408
5134,C35 H54 N2 O6,3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone Esi+8.897977,615.4181,8.897977,0.279199159,0.113286364,0.403255357,0.183285216,0.310225589,0.358936297,0.192651187,0.153309876,0.138604904,0.170852649,0.129652153,0.166533605,0.238477688,0.098399049
5135,C26 H36 O8,Austalide H,498.2295,10.349983,1.857765052,1.720832352,1.9023459,1.825565171,1.810409143,1.817985989,1.825879914,2.564040256,2.478226366,2.666414722,2.528508234,2.577724587,2.566857343,2.562223977
5136,C21 H8 N2 O20 P,C21 H8 N2 O20 P,638.9411,10.909988,1.026703541,1.084371931,0.913389805,1.276516512,0.678113375,1.107585263,0.896538356,-0.700646393,-0.804760498,-0.576440092,-0.745168526,-0.665734138,-0.674902814,-0.717244227
5137,C24 H44 N13 O2 P,C24 H44 N13 O2 P Esi+13.68701,577.3921,13.68701,0.297933952,0.164837648,0.438996774,0.336363558,0.34861583,0.188553523,0.407278904,-0.247330828,-0.148300375,-0.365472422,-0.214083811,-0.332578889,-0.080578221,-0.354842378
5138,C20 H16 N10 O20 P,C20 H16 N10 O20 P Esi+13.987042,747.0273,13.987042,0.52550376,0.643295216,0.157887478,0.602208078,0.258195421,0.389234776,0.46701792,-0.192635028,-0.273705537,-0.095919333,-0.192353881,-0.20685134,-0.129231064,-0.233513899
5139,C40 H66 O14,Torvoside E,787.4711,10.986011,0.151690424,0.18270407,0.840531905,0.112190805,0.337059844,0.047727695,0.32141771,0.118778374,-0.042678677,0.311393804,0.114612072,0.126776229,0.052908438,0.161247149
5140,<none>,<none> Esi+11.898991,413.7791,11.898991,1.41794024,1.423520526,1.482975531,1.469746313,1.355151238,1.549266704,1.400450544,0.680279978,0.693268892,0.664784432,0.696734274,0.632517784,0.75244163,0.633754703
5141,C17 O22 P,C17 O22 P,586.8618,12.895016,0.941094426,1.213634961,0.424231969,0.969199623,0.867623701,1.161796937,0.793028903,-0.504935745,-0.739237768,-0.225417543,-0.529341495,-0.457000343,-0.705664352,-0.375518618
5142,C21 H29 N O3,Isopiperolein B,343.2162,13.06902,0.880412811,0.998981009,0.773027896,0.863335088,0.872397864,0.90917019,0.868617119,0.347799066,0.411591372,0.271695965,0.359471369,0.325773004,0.384157568,0.324357401
5143,C13 H18 O5,C13 H18 O5,254.1141,5.8839965,0.141974367,0.080557372,0.092596174,0.232399029,0.009814714,0.209417992,0.01287268,-0.015176732,-0.056837004,0.034523243,-0.039690529,0.03672594,-0.026198312,-0.008070713
5144,C41 H68 O12,Melilotoside B Esi+14.12697,752.4692,14.12697,0.244017227,0.02090546,0.591800724,0.211780494,0.295300762,0.230231159,0.313020432,0.302401354,0.138197568,0.498293588,0.291104786,0.307517953,0.266990484,0.325232046
5145,C3 H Cl P,C3 H Cl P Esi+1.2990015 :1,102.9482,1.2990015,0.037150251,0.238191743,0.344341537,0.031159105,0.068724828,0.143041907,0.16506473,-0.086228087,-0.344331797,0.221685112,-0.106056197,-0.035396945,-0.236816549,0.010861843
5146,C24 H38 O8,Rhodojaponin IV,476.2385,13.322018,1.376826351,1.014179456,1.72682661,1.268730407,1.486864945,1.234743868,1.445864166,0.971492983,0.781329729,1.198354409,0.90069014,1.080019415,0.830739015,1.062242252
5147,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+6.587007,228.1333,6.587007,0.410271966,0.16867186,0.579895295,0.19530251,0.512422415,0.288874826,0.391731494,0.401968612,0.202557858,0.639862143,0.267060788,0.559935133,0.34886682,0.436205294
5148,C25 H40 O4,"Androstane-3,17-diol dipropionate Esi+15.6630335",421.3166,15.6630335,0.125586814,0.326994579,0.259759386,0.059999679,0.172149534,0.08584863,0.12332355,0.004233795,-0.096567207,0.124487623,0.031030588,-0.055502543,0.020499982,-0.006253614
5149,C21 H38 O4,Methyl acetyl ricinoleate Esi+14.399968,354.2742,14.399968,1.013117733,1.03634266,0.780400044,1.037117561,0.87856222,0.973606614,0.939065359,0.690849865,0.749933152,0.62036454,0.724399734,0.632010067,0.737126117,0.66101386
5150,C12 H24 N2 O8,Istamycin FU-10,346.1378,10.026999,0.575543277,0.750596551,0.199321029,0.498138168,0.538317268,0.526422848,0.515129189,-0.434430441,-0.610150976,-0.224798925,-0.365548925,-0.486389354,-0.503233355,-0.390070667
5151,C9 H4 Cl8 O,Isobenzan Esi+11.232983,406.7709,11.232983,1.434924324,1.562975225,1.331765341,1.435404085,1.420608982,1.540791136,1.421393365,0.733599,0.837226728,0.60997294,0.749656414,0.68475726,0.799471315,0.691128693
5152,C24 H36 O10,Plantaricin BN Esi+9.203995,484.2274,9.203995,0.861682106,0.734605815,0.711811961,0.68491039,0.821427129,0.770141117,0.817955379,0.76866898,0.778379534,0.75708446,0.715587198,0.821638824,0.802720083,0.74671498
5153,C27 H53 N8 O4,C27 H53 N8 O4,553.4186,14.341011,0.2773126,0.008000537,0.828621335,0.475575247,0.209779717,0.144762192,0.45407439,0.212124527,0.087010248,0.361383666,0.261227676,0.131918775,0.158134882,0.246933639
5154,C44 H77 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) Esi+10.031987",763.5257,10.031987,0.472341746,0.484566827,0.450737428,0.58208793,0.319565611,0.368206094,0.428499629,-0.239063441,-0.21017412,-0.273527894,-0.237903102,-0.258986051,-0.123167547,-0.313785794
5155,C45 H82 O15 P2,"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0])",924.5061,13.68799,1.215985859,1.097063044,1.338662775,1.338305776,1.170450704,1.29173943,1.174732301,0.899921869,0.802574901,1.016055095,0.948109679,0.811523718,0.910327681,0.89321286
5156,C18 H24 N8 O P S5,C18 H24 N8 O P S5,559.0419,13.343995,1.876890604,1.857566316,1.91964832,1.852985304,1.94141658,1.908675183,1.894468422,1.008570361,1.050913996,0.958055148,1.006803035,0.996541722,1.043950937,0.985759201
5157,C33 H52 O6,Ganoderic acid Mj,543.3619,9.697999,0.45144693,0.171659988,0.72014822,0.147010612,0.654756057,0.019781007,0.605370688,-0.580325563,-0.333858885,-0.874355987,-0.301218623,-1.017314587,-0.182580184,-0.836766663
5158,C29 H55 O12 P,PI(20:1(11Z)/0:0) Esi+13.169985,626.343,13.169985,1.963642648,1.751994183,2.109860609,1.852145468,2.022480769,1.765716905,2.061660192,1.746639124,1.607942598,1.912101647,1.696218956,1.811895358,1.627091132,1.823716119
5159,C42 H66 O13,Momordin Ia Esi+13.851016,778.4472,13.851016,0.494424654,0.279262358,0.81079048,0.507549534,0.481990921,0.415738773,0.48861097,0.394233156,0.268769573,0.543909009,0.418355859,0.354447363,0.337174287,0.431021111
5160,C32 H48 O5,Ganoderic acid X Esi+10.964022,534.3269,10.964022,0.29998848,0.631030029,0.424757771,0.379268045,0.052190159,0.39887632,0.124551604,-0.082229394,-0.261154698,0.131225355,-0.109602756,-0.039219644,-0.157415424,-0.033754191
5161,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+13.001972",356.2197,13.001972,1.680477924,1.372316316,1.944874413,1.582181007,1.737832925,1.564622546,1.71922644,1.487711362,1.27752645,1.738458275,1.407283399,1.597564456,1.353114082,1.574491188
5162,C19 H O10 P S3,C19 H O10 P S3 Esi+12.729984,515.8472,12.729984,1.670623914,1.644620518,1.876621512,1.61848315,1.843715695,1.727975008,1.752207251,0.780256234,0.786948348,0.77227266,0.752715737,0.797786653,0.787635037,0.775498849
5163,C43 H67 N O12,Desmethyltacrolimus,788.4599,10.616988,2.14790751,2.113671026,2.281589713,2.310175608,2.205146838,2.258263932,2.198012558,1.650311019,1.576627803,1.738213803,1.639764248,1.681651613,1.618056357,1.671106788
5164,C19 H16 O5,5-Hydroxywarfarin Esi+10.552983,323.0925,10.552983,0.809131285,0.656814387,0.70739266,0.704836795,0.699615584,0.381458556,0.897127478,-0.525011031,-0.457218626,-0.60588618,-0.390718953,-0.67787756,-0.208625881,-0.728996193
5165,C42 H77 O8 P,"PA(22:1(11Z)/17:2(9Z,12Z))",762.5191,11.607996,0.593494157,0.567741587,0.460137736,0.688573803,0.304214542,0.516794879,0.518679299,-0.812423846,-0.859309714,-0.756489828,-0.870572382,-0.767320238,-0.748161959,-0.853855853
5166,C32 H50 O5,Tsugaric acid C Esi+11.081032,514.359,11.081032,0.473524593,0.543667768,0.397069285,0.551966233,0.475847319,0.551451899,0.487612795,-0.641372239,-0.854016278,-0.387691633,-0.656788202,-0.596973193,-0.738443624,-0.578786741
5167,C16 H30 O5,"10-hydroxy-hexadecan-1,16-dioic acid Esi+11.314979",302.209,11.314979,2.324664481,2.235860104,2.497844566,2.302441241,2.489299125,2.219149415,2.47429891,2.90518761,2.655685642,3.202839081,2.703889693,3.163949759,2.744696179,3.008662349
5168,C28 H61 N18 O P,C28 H61 N18 O P,696.4938,13.770997,0.35781959,0.441922126,0.066397523,0.32898383,0.200627662,0.096973968,0.362608733,-0.131891521,-0.179622797,-0.074948947,-0.084899472,-0.214635416,-0.006213732,-0.212920623
5169,C16 H22 N4 O7,Tyr Ser Asn,381.1405,11.197999,1.822428248,1.913889457,2.002256803,1.885385443,2.12720399,2.074948672,1.893905583,1.893882203,1.678089745,2.151318819,1.732163998,2.144797243,1.746006621,1.989223038
5170,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+11.021978,440.2058,11.021978,0.038438149,0.287999457,0.619963028,0.018160848,0.299549634,0.166018316,0.32729449,0.050526636,-0.013099536,0.126431542,0.032873881,0.076994353,-0.000547525,0.083456029
5171,C22 H42 N3 O P S,C22 H42 N3 O P S,427.2731,6.4200087,0.529640209,0.225416953,0.680742314,0.335403039,0.689985785,0.323957445,0.570481588,0.404544231,0.156098137,0.700936061,0.234864291,0.630810243,0.204489033,0.533527187
5172,C48 H80 N21 P,C48 H80 N21 P,981.6558,12.980975,0.353924624,0.481366403,0.030764961,0.202103363,0.207876566,0.152621711,0.33900672,-0.409218925,-0.639310371,-0.134723867,-0.343334786,-0.540528683,-0.365083228,-0.437674835
5173,<none>,<none> Esi+13.001973,960.1488,13.001973,0.439870736,0.406039465,0.338365626,0.482040322,0.191720801,0.280516111,0.448934559,-0.138660981,-0.152811038,-0.121780211,-0.13932816,-0.154384694,-0.091633979,-0.168981022
5174,C13 H22 O6,C13 H22 O6 Esi+9.29799,274.1423,9.29799,0.635482628,0.887262014,0.221190506,0.732308815,0.473186878,0.896764564,0.428080889,-0.980880219,-1.373755177,-0.512187286,-1.108618337,-0.80004063,-1.268857242,-0.795210822
5175,C9 H29 N8 O7,C9 H29 N8 O7,361.2089,6.069987,1.178768309,1.006757808,1.362133751,1.071071042,1.384253575,1.172771483,1.143878507,0.900133414,0.653206857,1.194712464,0.67485982,1.21055259,0.703757958,1.026743905
5176,C23 H40 O7,1(3)-glyceryl-PGF2? Esi+11.767975,428.2773,11.767975,2.033330355,1.923509059,1.980812573,2.055638643,1.913335319,1.862860183,2.01113774,3.440537336,3.359209363,3.537560181,3.475118153,3.380925758,3.442445902,3.439306814
5177,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+10.542991,870.5515,10.542991,0.965042385,0.924285147,0.908578191,0.957654354,0.748268403,1.009242912,0.868511193,0.555757079,0.605939791,0.495889984,0.618807274,0.434585906,0.688229721,0.470347086
5178,C19 H39 N O,Palmitoyl N-Isopropylamide Esi+16.343014,297.3029,16.343014,1.562228099,1.612931223,1.378186059,1.670293538,1.443360893,1.572513216,1.538989639,-0.661951975,-0.784793896,-0.515403717,-0.680704973,-0.644856505,-0.701827633,-0.636242669
5179,C40 H79 N O7 P,PC(P-18:1(9Z)/14:0) Esi+14.031987,698.504,14.031987,0.572382121,0.635997782,0.417820565,0.589330557,0.503645468,0.347321703,0.654051169,-0.326479287,-0.399650651,-0.239187133,-0.318524284,-0.345835814,-0.226853935,-0.390711422
5180,C36 H50 O5,"11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrocholecalciferol Esi+10.892997",562.3688,10.892997,0.824384666,0.893492383,0.696170065,0.915865232,0.620289458,0.983849607,0.702034927,0.439124074,0.523186255,0.338839366,0.515867984,0.3013983,0.580783598,0.34779096
5181,C38 H73 O9 P,PG(P-18:0/14:1(9Z)) Esi+14.117977,703.4936,14.117977,0.72788724,0.841923456,0.439770002,0.65366931,0.65606322,0.466302333,0.744806947,-0.332194347,-0.436581128,-0.207662748,-0.28131076,-0.415425071,-0.230911777,-0.397494951
5182,C30 H51 N5 O6,C-6 NBD-dihydro-Ceramide Esi+11.836001,577.3882,11.836001,0.246930965,0.326725035,0.056319779,0.226313946,0.16519807,0.071106724,0.328751278,-0.097964093,-0.137231387,-0.051118901,-0.066184621,-0.171329237,0.05347308,-0.195601219
5183,C32 H50 O10,13-Deoxytedanolide Esi+13.583986,594.342,13.583986,0.532912778,0.490205397,0.493472929,0.473910471,0.553480322,0.452643657,0.50259311,-0.313674837,-0.362857302,-0.255001019,-0.203938879,-0.473020012,-0.283657811,-0.333027919
5184,C11 H16 O3,Isobutyl 2-furanpropionate Esi+6.4870214,196.11,6.4870214,0.364493492,0.520273447,0.064586542,0.451866334,0.210334933,0.274986632,0.351128062,-0.21644601,-0.340858773,-0.068023767,-0.20792184,-0.217536962,-0.177735204,-0.241404293
5185,C27 H61 N14 P,C27 H61 N14 P,612.4932,15.079038,0.957244796,0.927608304,0.878132708,0.798177224,1.039636694,0.793328802,0.966021953,-0.608499374,-0.703709876,-0.494914916,-0.559805918,-0.695043913,-0.571132599,-0.632591111
5186,C21 H30 O9,"11,13-Dihydrotaraxinic acid glucosyl ester Esi+8.392975",426.1869,8.392975,0.859528257,0.673143436,0.972161561,0.935674402,0.719100103,0.915849762,0.759888121,0.694949645,0.587475978,0.823163844,0.735374752,0.632184888,0.78207974,0.638773662
5187,C5 H9 N3 O5,C5 H9 N3 O5,191.056,2.4959981,1.037311112,1.026277528,0.768506366,0.669574997,1.262229618,0.644520556,1.11001477,1.095354988,1.209354236,0.959355885,0.827340669,1.473503456,0.893372377,1.225580619
5188,C14 H17 N2 O7,Portulacaxanthin I,324.0996,8.68701,0.295487252,0.485656554,0.023873446,0.267685781,0.263226189,0.249904731,0.267565641,-0.359272297,-0.640847332,-0.023358219,-0.344024802,-0.317852368,-0.411876823,-0.32535622
5189,C23 H36 O8,3''-HydroxyPravastatin Esi+12.982009,462.2232,12.982009,2.30455706,2.097514423,2.486494786,2.275305989,2.385764067,2.185872873,2.377980815,2.462800715,2.213689825,2.759985635,2.329644603,2.653489869,2.247362898,2.601701412
5190,C30 H44 O5,21-Hydroxyisoglabrolide Esi+7.2590075 :2,506.3061,7.2590075,0.490147159,0.797001769,0.016844703,0.500845521,0.26748826,0.76484024,0.245208338,0.181756576,0.354923876,-0.024828976,0.234647388,0.086355949,0.361560614,0.065830288
5191,C12 H22 S2,Dicyclohexyl disulfide Esi+5.4599977,230.115,5.4599977,0.562973631,0.370038933,0.855182164,0.500322565,0.509019216,0.506844958,0.610000698,0.404809167,0.246906929,0.593183766,0.444050788,0.335038657,0.396275697,0.410311009
5192,C42 H70 O15,Goyaglycoside h Esi+10.982985,831.4971,10.982985,0.229183312,0.109276788,0.914967634,0.184972305,0.426258602,0.141043635,0.391492981,0.153701005,-0.006497823,0.344815395,0.145327685,0.1665056,0.092723765,0.193015278
5193,C40 H75 O13 P,PI(16:1(9Z)/15:0),794.4892,14.585992,0.819923606,0.560169558,1.099173996,0.756246834,0.814940996,0.822462646,0.812134011,0.982826443,0.782182867,1.222190709,0.983343627,0.982842582,1.050570394,0.939149421
5194,C27 H55 N8 O4,C27 H55 N8 O4,555.4345,13.84003,0.221079579,0.132887319,0.21499716,0.053483176,0.35628964,0.076645332,0.327130621,0.160357126,0.151736524,0.170641353,0.019557699,0.34227203,-0.032599788,0.284763558
5195,C29 H43 N8 O4,C29 H43 N8 O4,567.3409,11.153007,0.073015226,0.247711468,0.603183894,0.063126215,0.346732277,0.024860291,0.191835462,0.117113483,-0.040584395,0.305244285,0.075860783,0.169985252,0.057957495,0.155253529
5196,C27 H42 N7 O19 P3 S,"3,4-Didehydroadipyl-CoA",915.134,14.099049,0.667571457,0.64312522,0.54285543,0.668689948,0.445559824,0.552848057,0.650043741,-0.294814647,-0.308618221,-0.278347225,-0.266016103,-0.327869498,-0.23689025,-0.332160639
5197,C10 H14 N6 O4,2-Aminoadenosine,282.1079,7.9270015,0.343689362,0.557309303,0.001052974,0.499202409,0.039020123,0.578149677,0.078220009,-0.562832237,-0.880896405,-0.183387263,-0.900172112,-0.106162348,-1.161068638,-0.177127188
5198,C21 H9 N2 O18 P S,C21 H9 N2 O18 P S,639.9305,9.599017,1.071600803,0.979031643,1.116700718,1.2946209,0.734464431,1.007724311,1.016679899,-0.564746285,-0.509694558,-0.63042203,-0.627514367,-0.501644739,-0.481274398,-0.618563686
5199,C17 H44 N20 O3,C17 H44 N20 O3,576.39,6.9370093,0.386881513,0.367456718,0.494130093,0.58556018,0.23440593,0.332516314,0.419299441,-0.167220622,-0.125128172,-0.217436176,-0.209665302,-0.127305306,-0.113390787,-0.201926699
5200,C20 H46 N3 O2 S3,C20 H46 N3 O2 S3,456.273,11.46301,1.148175799,1.050326266,1.070440339,1.049966669,1.1444485,0.801579005,1.30033062,-0.850462922,-0.865295499,-0.832767918,-0.728651704,-1.007011758,-0.580713867,-1.024380076
5201,C24 H48 Cl2 N5 O2,C24 H48 Cl2 N5 O2,508.3215,14.591012,0.597037208,0.582288102,0.583702462,0.739998317,0.430746334,0.823577665,0.466845611,0.483992455,0.496005063,0.469661623,0.571237413,0.346808719,0.637289435,0.385156244
5202,C28 H50 O4,"ergosta-3beta,5alpha,6beta,25-tetrol Esi+16.38104",450.3681,16.38104,0.765815775,0.817007531,0.579522304,0.746888052,0.688619419,0.775826595,0.683764006,-0.460202147,-0.600995532,-0.292238108,-0.438641974,-0.496309378,-0.494963322,-0.437790336
5203,C19 H33 N O4,Tumonoic Acid A Esi+8.82102,339.2414,8.82102,0.7024501,0.734462416,0.518060127,0.633301791,0.75529336,0.606935163,0.705224349,0.64588487,0.720267481,0.55714772,0.563516228,0.745564722,0.585655674,0.684716852
5204,C41 H78 N13 O12,C41 H78 N13 O12,944.5884,9.193006,0.091414863,0.234547918,0.078224649,0.196506405,0.024801019,0.671557336,0.169640982,0.082545714,0.189669867,-0.045251522,0.156401014,-0.04738438,0.388788553,-0.114900328
5205,C15 H24 N6 O6,Gln His Thr Esi+8.84098,384.175,8.84098,0.290399566,0.264401934,0.221257224,0.255772056,0.151970145,0.280480138,0.219121199,-0.315184285,-0.265905821,-0.373972628,-0.403006557,-0.197637398,-0.373604633,-0.277518534
5206,C26 H51 Cl N4 O3 S,C26 H51 Cl N4 O3 S,534.3395,9.604986,0.283555094,0.007389182,0.509195547,0.315830919,0.32687389,0.33111839,0.233640905,-0.16189996,0.054260912,-0.419776089,-0.126797108,-0.247349765,-0.123474035,-0.18667457
5207,C28 H40 N21 O8 P S5,C28 H40 N21 O8 P S5,989.1705,13.249018,0.522643662,0.460555038,0.463523334,0.603328079,0.220523239,0.279436443,0.589711978,-0.161880721,-0.162965534,-0.160586558,-0.18369829,-0.151084827,-0.077874817,-0.216042422
5208,C38 H73 O10 P,PG(16:0/16:1(9Z)),719.4831,11.052983,0.579230055,0.766304771,0.231251974,0.860811938,0.162070744,0.700655913,0.401636964,-0.510736603,-0.690069111,-0.296796068,-0.607056152,-0.418190801,-0.5722649,-0.471067044
5209,C48 H94 N O17 P,MIPC(t20:0/16:0) Esi+12.851005,986.6156,12.851005,1.441034456,1.437830028,1.465491748,1.335698198,1.479888625,1.542665839,1.399130079,0.818706003,0.830523502,0.804607934,0.80327167,0.812282465,0.918164052,0.754581734
5210,C35 H63 N5 O3,C35 H63 N5 O3,600.4244,14.24398,0.611037295,0.341782856,0.943115092,0.413859788,0.811071954,0.455684978,0.761580062,0.517318581,0.319400584,0.753431278,0.328761699,0.758517714,0.290429394,0.663602399
5211,C22 H42 O6,Sorbitan palmitate Esi+14.573979,424.2801,14.573979,0.102204277,0.279702422,0.557247192,0.187470685,0.014929798,0.049166571,0.191886012,0.040981023,-0.134627475,0.25047888,0.060747835,0.010240237,-0.063837664,0.108561493
5212,C29 H61 N11 O P,C29 H61 N11 O P,610.4785,15.288033,1.199214207,1.168279986,1.186699232,1.155395323,1.305159508,1.226949968,1.197508511,-0.834484829,-0.936219514,-0.713117135,-0.800331781,-0.894849777,-0.847233539,-0.826265266
5213,C15 H26 N6 O6,Arg Asp Pro,386.1917,6.7969975,0.735541372,0.499602234,0.941665555,0.447617222,1.120991878,0.075088879,1.078224623,-0.201547394,-0.091489057,-0.332845059,-0.085302196,-0.372175398,0.02537786,-0.347854466
5214,C28 H52 O5,C28 H52 O5 Esi+14.87005,468.3809,14.87005,1.009208683,1.114026845,0.737017553,0.907788372,0.97593668,0.981864607,0.934933715,-1.033550001,-1.251802126,-0.773179046,-0.984277418,-1.120154192,-1.054400764,-1.020106746
5215,C36 H64 O11,Vinaginsenoside R12 Esi+13.897968,689.471,13.897968,0.618632254,0.750854146,0.313808166,0.625362382,0.56782227,0.65956562,0.537853037,-0.388828241,-0.57146324,-0.170947891,-0.330635726,-0.493094473,-0.430555411,-0.361925196
5216,C23 H11 O24 P,C23 H11 O24 P,701.9397,12.601013,1.551317121,1.545125886,1.497243153,1.523130299,1.463931461,1.446126033,1.589448662,0.959989754,1.012932167,0.896830384,0.994689226,0.892251703,0.969208235,0.95404626
5217,C33 H58 P S2,C33 H58 P S2,549.3529,11.402017,0.818116804,0.669967537,0.996201479,0.775462394,0.829616191,0.712231208,0.869125237,0.381441103,0.343890686,0.426238091,0.365097818,0.391222068,0.357310809,0.396998792
5218,<none>,<none> Esi+13.603023,974.1653,13.603023,0.282040711,0.230452831,0.218942283,0.351291543,0.016253137,0.076289938,0.345617935,-0.060149777,-0.067270085,-0.051655375,-0.076941357,-0.058787306,0.019080083,-0.111232186
5219,C25 H6 N7 O17 P,C25 H6 N7 O17 P,706.9563,10.797024,0.557764642,0.705980535,0.319912567,0.431295064,0.560857274,0.756646326,0.403620271,0.257792493,0.362313336,0.133100961,0.25154647,0.241494041,0.401002024,0.165460032
5220,C43 H84 N O9 P,PS(P-20:0/17:0) Esi+14.313978,789.5789,14.313978,0.81145829,0.939055619,0.370448704,0.661298837,0.733428349,0.688394517,0.758772627,-0.293738682,-0.440791945,-0.118306719,-0.259517836,-0.342589664,-0.272402987,-0.307494591
5221,C16 H10 O23 P,C16 H10 O23 P Esi+13.763975 :1,600.9337,13.763975,0.329043396,0.418270903,0.036215797,0.483249467,0.085959166,0.23537259,0.252807721,-0.083343642,-0.122846234,-0.036217743,-0.078281127,-0.104532603,-0.013041071,-0.128670299
5222,C30 H46 O4,Secobryononic acid,470.3393,15.235038,0.27807015,0.100626117,0.556113115,0.307093306,0.298811379,0.292787648,0.349500986,0.190175509,0.09358493,0.305406375,0.190430391,0.176845237,0.142291629,0.221048011
5223,C18 Cl3 N2 O4 P S5,C18 Cl3 N2 O4 P S5,602.7443,12.017019,0.419355297,0.177183959,0.849218528,0.34617763,0.540985586,0.272771171,0.578980093,0.350474079,0.214909139,0.512200674,0.328087095,0.351775302,0.260403319,0.408546016
5224,C19 H32 N6 O5,C19 H32 N6 O5,424.2561,11.107984,0.782692771,0.810245505,0.69661761,0.688654962,0.877045045,0.72667054,0.843890803,-0.39094534,-0.424850306,-0.350497311,-0.303979702,-0.512344762,-0.347364291,-0.419043648
5225,C38 H48 N4 O2,Santiaguine Esi+9.09701,592.3767,9.09701,0.247744738,0.332703909,0.078003423,0.162646916,0.245344875,0.398906742,0.187418961,0.099662847,0.248585869,-0.077999705,0.098106885,0.073913174,0.275777235,-0.013884587
5226,C27 H47 N O4,C27 H47 N O4,449.3496,12.429995,1.209495057,1.287267946,0.893871069,1.124345769,1.102251899,1.152340966,1.12772302,-0.941549445,-1.163185753,-0.677141219,-0.95670712,-0.907583855,-1.008755284,-0.898219365
5227,C30 H60 N6 O9,C30 H60 N6 O9,647.4184,13.927001,0.96230641,0.70846457,1.258171746,0.971105165,0.903334591,0.857939323,1.004124527,1.013402513,0.770412444,1.303285403,1.060070358,0.962334984,0.926937327,1.069149804
5228,C22 H26 O9,Vestitone 7-glucoside,434.1534,4.833996,0.4743169,0.483264564,0.442372543,0.309870227,0.546429424,0.650936699,0.331547154,0.48421614,0.508900083,0.454768629,0.469769999,0.465616194,0.761984973,0.30512834
5229,C42 H62 O2 P,C42 H62 O2 P,629.4522,14.07103,0.465560612,0.51544226,0.224011355,0.580585148,0.228053185,0.461784133,0.332445114,-0.289708472,-0.294747544,-0.283696948,-0.332553549,-0.215370747,-0.273059403,-0.300442741
5230,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+15.0",278.2238,15,1.439084214,1.562399395,1.153166208,1.473891833,1.298357818,1.423243504,1.351942559,-1.149986522,-1.341416089,-0.921614406,-1.184331752,-1.120463165,-1.151007813,-1.149328058
5231,C18 H49 N11 O4 P,C18 H49 N11 O4 P,514.3704,10.968995,0.280446851,0.375747207,0.114261924,0.419882308,0.142741122,0.339143429,0.225883935,-0.269222039,-0.296137818,-0.237111986,-0.31931289,-0.227830607,-0.251481212,-0.280660204
5232,C26 H45 N O7,Tumonoic Acid H Esi+9.145014,505.2998,9.145014,0.408137811,0.573636305,0.254373079,0.378524374,0.541162835,0.237045899,0.468494272,0.194643891,0.347477881,0.012315623,0.075884435,0.332686562,0.071538586,0.274014417
5233,C15 H43 N11 O5 P,C15 H43 N11 O5 P,488.3483,13.788028,0.193327559,0.104996573,0.672232479,0.204624546,0.25195043,0.191925265,0.29827183,0.174992375,0.028332914,0.34995454,0.183037496,0.158070751,0.151293289,0.19027205
5234,C19 H18 N8 O19 P S,C19 H18 N8 O19 P S Esi+14.077951,725.0141,14.077951,0.583462119,0.653020298,0.292783643,0.624676141,0.386130407,0.412596386,0.541889119,-0.206502167,-0.268740175,-0.132253315,-0.189110516,-0.243712255,-0.133082199,-0.253838725
5235,C32 H60 O6,C32 H60 O6,540.4416,15.034966,1.528102397,1.749752536,1.106906242,1.504529801,1.440814904,1.533659166,1.483980087,-1.866043645,-2.448866427,-1.170746292,-1.740780324,-2.015677678,-1.761046763,-1.933739004
5236,C41 H74 N O8 P,"PE(18:1(11Z)/18:3(9Z,12Z,15Z))",761.5001,13.829028,1.025161017,1.081575386,0.714756275,0.89003931,1.03096005,0.923069989,1.019729787,-0.753596663,-0.846619726,-0.64262178,-0.705283775,-0.834966703,-0.701680223,-0.787069105
5237,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+3.6799939",242.1751,3.6799939,1.032782516,1.118459519,1.020501647,0.974371893,1.227955428,1.307964853,0.920917542,0.444773293,0.510418559,0.366459642,0.453295284,0.439962322,0.57511671,0.36073609
5238,C48 H82 N O9 P,"PS(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.966003",847.5695,13.966003,0.34127288,0.201503892,0.420509457,0.318042394,0.292733772,0.289052096,0.333344981,0.305384696,0.251640791,0.369500232,0.322139065,0.27019592,0.313274298,0.300297979
5239,C14 H24 N6 O4,Lys Gly His Esi+8.474,340.1858,8.474,1.601170655,1.448252392,1.802062081,1.356007817,2.038063321,1.169423947,1.940040307,2.150530941,1.856110885,2.501768902,1.630811368,2.857473242,1.489543262,2.576694049
5240,C23 H17 Br2 Cl O3 S,CAY10592 Esi+11.395997,565.8943,11.395997,0.160690927,0.083878796,0.194645772,0.039388258,0.188173213,0.298185621,0.0684436,0.181556588,0.183906134,0.178753621,0.227667203,0.092529359,0.332394616,0.084305754
5241,C63 H92 O6,"TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]",966.6576,13.295978,0.307015239,0.265140235,0.353754362,0.334120045,0.258355636,0.211584362,0.350077439,-0.186936187,-0.189643509,-0.183706399,-0.204309787,-0.194473405,-0.096014656,-0.245556648
5242,C14 H25 N5 O7,Thr Gln Gln,392.202,4.6450086,0.837975064,0.688453025,0.897850799,1.166597159,0.559127318,1.096966531,0.647005599,0.632725446,0.625315334,0.641565581,0.766686417,0.476100384,0.797582956,0.526435736
5243,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+13.76703,594.3699,13.76703,1.6879806,1.756121367,1.530962528,1.649960336,1.692068398,1.596857038,1.722919853,-1.502898466,-1.659812925,-1.31570227,-1.390441834,-1.632900275,-1.368014792,-1.58986294
5244,C20 H3 O10 P S3,C20 H3 O10 P S3 Esi+13.666993,529.8627,13.666993,1.695809089,1.81840459,1.652256316,1.845998896,1.579142133,1.911989284,1.655368437,1.035842349,1.103035678,0.955681886,1.093121732,0.940155183,1.133648434,0.972783162
5245,C45 H87 O12 P,PI(P-20:0/16:0) Esi+13.289005,849.5835,13.289005,0.411443001,0.493208096,0.086537445,0.45093162,0.152445433,0.288955953,0.34147529,-0.130204784,-0.197493739,-0.049930242,-0.119668398,-0.158771212,-0.076301187,-0.164958419
5246,C5 H9 N O,"2,5-Dihydro-2,4-dimethyloxazole Esi+2.5460007",99.0681,2.5460007,0.100424193,0.022680145,0.229627906,0.044756439,0.152871562,0.113817913,0.09943141,0.064928056,-0.106966755,0.269995549,-0.053749285,0.229417175,0.021258476,0.093083443
5247,C23 H32 N4 O4,Nummularine F Esi+10.025981,428.2394,10.025981,0.206646107,0.28042925,0.068547266,0.245014788,0.195783211,0.039330085,0.237104781,-0.205374983,-0.2972878,-0.095724605,-0.203996102,-0.247215311,-0.118199476,-0.261580244
5248,<none>,<none> Esi+12.707017,398.7739,12.707017,1.946235392,1.964286832,1.991264603,1.979227667,1.962795478,2.06786129,1.922060851,0.772414261,0.821425129,0.713945156,0.791475054,0.730807618,0.827876889,0.736655462
5249,C38 H75 N O8 P,PC(18:1(9Z)/12:0),703.5052,12.718995,1.503774432,1.640003449,1.335459843,1.549865993,1.658185116,1.598548688,1.519988767,-1.419271296,-1.571235581,-1.23798057,-1.289026894,-1.568122155,-1.293543217,-1.500332821
5250,C17 H30 O5,C17 H30 O5,314.2028,9.285002,2.045249664,1.935352482,2.264555734,2.011900205,2.169783578,1.981933883,2.167825766,2.525128148,2.248287008,2.855394772,2.365797389,2.717696098,2.431527649,2.585475839
5251,<none>,<none> Esi+4.7680044,307.7833,4.7680044,1.156514321,1.236982018,1.128804802,1.101631383,1.467799283,1.109482227,1.289304996,-0.843647907,-0.833828848,-0.855361872,-0.723180898,-0.984706138,-0.64584155,-0.971180953
5252,C39 H71 O10 P,"PG(20:3(8Z,11Z,14Z)/13:0) Esi+11.532978",729.4734,11.532978,1.078889992,0.925602733,1.065525328,1.085015644,0.888130939,1.073783278,0.943267972,1.023355822,0.991149131,1.061777839,1.095153821,0.891822002,1.180684675,0.921920114
5253,C39 H76 N O9 P,PS(P-20:0/13:0) Esi+11.166993,755.5109,11.166993,0.488680947,0.4488299,0.448565384,0.591085104,0.266102646,0.278915246,0.507933328,-0.203260443,-0.189477694,-0.219703021,-0.220664082,-0.198978701,-0.085518621,-0.279172934
5254,C50 H72 N3 O4 P,C50 H72 N3 O4 P,809.5253,12.251974,1.058517285,0.911197322,1.243470702,1.080511776,0.953026679,1.174024292,0.973508902,0.677429428,0.649285702,0.711004399,0.731864907,0.582885222,0.789070363,0.605450404
5255,C35 H46 O,"4'-Apo-beta,psi-caroten-4'-al",482.3604,15.992976,0.133058164,0.167962959,0.107244417,0.152557243,0.173970173,0.173179213,0.327542285,-0.04641133,-0.08186554,-0.004115079,0.009400583,-0.107035404,0.169221282,-0.185437619
5256,C29 H45 O3 P,C29 H45 O3 P,472.3102,16.378963,2.497317543,2.400255779,2.443395003,2.519757089,2.420263145,2.430404352,2.466167984,3.100696844,3.018367376,3.198914456,3.061030703,3.149824631,3.046580521,3.135587632
5257,C16 O16 P S2,C16 O16 P S2,542.8352,12.939961,1.082328333,1.370455666,0.509057467,1.055932865,1.008890305,1.223834626,0.952849404,-0.49858637,-0.701958705,-0.255966742,-0.492551847,-0.487007224,-0.596482366,-0.435469215
5258,C31 H63 N8 O4 P,C31 H63 N8 O4 P,642.4713,16.25804,0.142092367,0.211536791,0.032157009,0.081653925,0.263594503,0.19981955,0.32547104,-0.003151815,-0.060474637,0.065233306,0.07946216,-0.109817681,0.168057309,-0.113536645
5259,C30 H40 N4,Dequalinium Esi+9.754002,455.3151,9.754002,0.195631022,0.359018,0.012388401,0.326360559,0.010379663,0.307738314,0.081670819,-0.067073115,-0.151631967,0.033804111,-0.105035309,-0.02616625,-0.153133345,-0.011586914
5260,C39 H75 O9 P,PG(P-18:0/15:1(9Z)) Esi+15.167982,717.5032,15.167982,0.422833302,0.462678446,0.271846988,0.505800607,0.197197003,0.297052712,0.385820085,-0.236246982,-0.321833297,-0.134144011,-0.244015902,-0.231307037,-0.193357124,-0.263899654
5261,C15 H16 O4,Apigravin,282.0879,5.8819947,1.089526847,0.787458393,1.454261437,1.000651926,1.018337544,0.936594862,1.150287534,1.020091349,0.766978435,1.322050615,1.058408124,0.950780115,0.954821322,1.062173341
5262,C22 H51 N4 O2 S2,C22 H51 N4 O2 S2,467.345,11.547022,0.361448758,0.176063544,0.621800567,0.365298501,0.376235635,0.082774492,0.491046783,-0.216632785,-0.090480484,-0.367130268,-0.18886442,-0.286264397,-0.031375579,-0.336074932
5263,C47 H83 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) Esi+8.655022 :2",418.7823,8.655022,0.604459257,0.513698338,0.759425646,0.779732435,0.36777917,0.481693296,0.594498657,-0.310031969,-0.232132073,-0.402965178,-0.337981966,-0.291937719,-0.198401017,-0.382004557
5264,<none>,<none> Esi+11.404032,572.7232,11.404032,0.718742569,0.614917303,0.708921222,0.822617216,0.472595876,0.52524866,0.734669886,-0.33523099,-0.293542431,-0.38496471,-0.335055996,-0.356479522,-0.203246432,-0.420326298
5265,C15 H32 O6,"1,2,3-Tris(1-ethoxyethoxy)propane Esi+7.962012",308.219,7.962012,0.524621198,0.37593982,0.70342334,0.373886353,0.56629646,0.378128974,0.600961738,-0.305007849,-0.220590587,-0.405716162,-0.251153863,-0.376264861,-0.164900755,-0.395340055
5266,C15 H2 N3 O15 P S5,C15 H2 N3 O15 P S5,654.785,13.597971,0.483119323,0.412556245,0.127530326,0.317869973,0.240749568,0.272504749,0.390091256,-0.203575346,-0.257781724,-0.138908087,-0.173010532,-0.272864626,-0.155190627,-0.234770757
5267,C45 H83 O10 P,"PG(21:0/18:3(6Z,9Z,12Z))",813.5594,16.320015,0.915025045,0.904406579,0.83191228,0.952998436,0.759618007,1.044075457,0.766712512,0.884897092,0.917354586,0.846175871,1.0094359,0.735655804,1.119933754,0.733360297
5268,C28 H46 O6,Polyporusterone A Esi+15.214045,478.3281,15.214045,0.495004824,0.462225564,0.344004694,0.437801248,0.436130302,0.245028692,0.500520394,-0.319890215,-0.351339309,-0.282371997,-0.274244681,-0.403861866,-0.217003097,-0.386225331
5269,C25 H40 O4,"Androstane-3,17-diol dipropionate Esi+11.232001",404.2934,11.232001,0.517657649,0.527467104,0.441249408,0.637234535,0.370417099,0.320528991,0.559922295,-0.181157977,-0.171207071,-0.193029232,-0.163387917,-0.229371519,-0.063118011,-0.257262692
5270,C14 H26 O2,C14:1n-10,226.1928,11.196027,0.574010073,0.693073456,0.351511394,0.448918781,0.707116476,0.577849437,0.572430934,-0.10095367,-0.142104929,-0.051860941,-0.082368853,-0.10750596,-0.120415461,-0.088405937
5271,C36 H75 N5 O4 S3,C36 H75 N5 O4 S3,737.4976,12.837968,1.349100878,1.393150283,1.278965015,1.355195297,1.19534892,1.547048844,1.223695474,0.713768671,0.793080612,0.619150917,0.770424972,0.607787822,0.891673333,0.599066981
5272,C19 H18 N12 O12 P,C19 H18 N12 O12 P,636.107,13.352033,0.068130906,0.157275769,0.240686371,0.082103054,0.157252431,0.043426393,0.040117889,0.035720234,-0.00893153,0.088989006,0.032036486,0.025098402,0.072737725,0.011853694
5273,C12 H22 N2 O8,N6-Galacturonyl-L-lysine,322.1393,7.489992,1.160632605,1.181569424,1.062760164,1.11756989,1.263591725,1.310556453,1.029716176,-0.35127236,-0.344639552,-0.359185183,-0.323594723,-0.40576297,-0.389401212,-0.326689285
5274,C23 H49 N O5 P S,HEPC Esi+9.762966,499.3356,9.762966,0.492821466,0.161367928,0.868839044,0.390375404,0.64878251,0.349529797,0.524583609,-0.351902425,-0.072954533,-0.684682367,-0.183396048,-0.615705747,-0.174878887,-0.466036022
5275,C47 H79 N8 O12,C47 H79 N8 O12,947.5847,14.108961,0.912484764,0.978985312,0.628695436,0.898594111,0.793871652,0.802466262,0.872714898,-0.773448129,-0.959984362,-0.550913676,-0.724762984,-0.864212879,-0.71297152,-0.812439627
5276,C11 H13 N4,Heteropyrithiamine,178.1201,4.020007,0.160497238,0.17312789,0.204302575,0.243311243,0.015858862,0.238618113,0.119362629,-0.065469016,-0.037665021,-0.098638693,0.022717187,-0.196028369,0.020325434,-0.120783858
5277,C13 H16 P S,C13 H16 P S,235.0708,4.494996,0.944027087,0.9856367,0.733877842,0.888057491,0.848071603,0.910269993,0.846362917,1.083366074,1.314765007,0.807311207,1.100707919,1.030315417,1.185293692,1.017649584
5278,C25 H26 N15 O17 P S,C25 H26 N15 O17 P S,871.1071,14.315975,0.530475773,0.682749202,0.125574936,0.65748554,0.259062393,0.4670727,0.486141733,-0.257742397,-0.360021693,-0.135724993,-0.316793744,-0.186103906,-0.246663535,-0.264885348
5279,C16 H3 O17 P S2,C16 H3 O17 P S2,561.8525,8.805017,0.298029807,0.453884029,0.056865686,0.219302042,0.362351309,0.397164717,0.22862382,0.086131158,0.210410763,-0.062132231,0.057138746,0.104959954,0.174236727,0.029326251
5280,C8 H6,C8 H6 Esi+2.6770017,102.047,2.6770017,0.041750968,0.219406435,0.194906801,0.032908441,0.085715781,0.136746965,0.062320488,-0.043956265,0.038863524,-0.142758821,-0.05789591,-0.011402452,0.00460256,-0.075263929
5281,C19 H30 N O3,C19 H30 N O3,320.2187,9.288975,1.809814701,1.70534078,1.990412117,1.819513662,1.8985924,1.744647168,1.906355697,2.324035025,2.186470596,2.488146974,2.259948973,2.387432337,2.341650178,2.312677886
5282,C12 H20 O4,C12 H20 O4,228.1363,7.1199956,0.132446346,0.023438777,0.198394345,0.109290356,0.040144068,0.237165923,0.048999946,0.084404801,0.064884001,0.107692772,0.133434491,0.000538667,0.180907751,0.022185794
5283,C47 H64 N4 O12,Rifapentine,898.4272,15.511976,0.153466952,0.081877303,0.232402542,0.13767742,0.208107759,0.305041711,0.121425295,0.163707247,0.130786141,0.20298155,0.20379018,0.114702924,0.308660537,0.070250521
5284,C13 H22 O4,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one Esi+8.310027",242.1515,8.310027,0.201728852,0.426898065,0.00419243,0.511341276,0.149560427,0.355543777,0.141919043,-0.130610849,-0.22527751,-0.017675182,-0.296226126,0.110304387,-0.141163243,-0.123807331
5285,C27 H57 N O7 P,PC(19:0/0:0)[U],560.3666,11.858975,1.060335721,0.861391557,1.303789501,1.169201414,0.977220018,1.128068915,1.01791195,0.99696492,0.77502667,1.261733358,1.010878321,0.971647742,0.981201513,1.007128169
5286,C33 H48 O3,"1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol Esi+12.840982",491.3562,12.840982,1.01052928,1.018459336,0.82505225,1.060155179,0.753408853,1.140797737,0.827180387,2.130894485,2.444956678,1.756223799,2.390137748,1.742857073,2.677964185,1.778178494
5287,<none>,<none> Esi+11.11302,490.8033,11.11302,0.630476511,0.957780416,0.051438204,0.712893614,0.43486524,0.76149134,0.466750657,-0.250116603,-0.447924261,-0.014135538,-0.278723454,-0.203647729,-0.341648245,-0.191102782
5288,C11 H12 O2,3-(4-Methoxyphenyl)-2-methyl-2-propenal,176.0837,6.807991,0.571105183,0.426255679,0.64403319,0.494468614,0.546098908,0.602394653,0.547343353,0.348212665,0.306964652,0.39742082,0.341700522,0.331778377,0.404164064,0.312138737
5289,<none>,<none> Esi+8.348015,488.8057,8.348015,0.092115146,0.108349341,0.002197991,0.097468458,0.290134898,0.159772411,0.176437048,-0.014492718,0.055429342,-0.097908509,-0.116957162,0.123502268,-0.074083379,0.023927577
5290,C24 H39 N24 O P,C24 H39 N24 O P,710.3654,12.831034,1.430815897,1.192690107,1.808069913,1.525775852,1.417244408,1.453270411,1.488281252,1.117309526,0.943384618,1.32479889,1.148948573,1.079094819,1.04191084,1.165921837
5291,C27 H51 N O7,C27 H51 N O7 Esi+13.653016,501.3623,13.653016,0.708093109,0.713381276,0.472395446,0.504739362,0.711781487,0.651077801,0.605691134,-0.239733954,-0.346788543,-0.112019707,-0.170992309,-0.32402088,-0.27624363,-0.21619482
5292,C20 H40 O7 P2,Tetrahydrogeranylgeranyl diphosphate Esi+9.350988,454.2187,9.350988,1.616146485,1.442888943,1.838877495,1.480327488,1.807969898,1.498865279,1.76551099,2.462010128,2.329865537,2.619656308,2.318896398,2.614142523,2.316209344,2.556013265
5293,C25 H4 N4 O16 P,C25 H4 N4 O16 P Esi+13.595964,646.9356,13.595964,1.582911365,1.609027922,1.78457948,1.594780048,1.742695921,1.651977335,1.72552922,0.842086525,0.863468788,0.816577861,0.850156376,0.815988373,0.870214082,0.823951653
5294,C17 H41 N17 O2,C17 H41 N17 O2,513.3479,8.948983,0.817669487,0.980415035,0.571640443,0.956638612,0.543428325,0.757613439,0.84580933,1.494671085,1.840516442,1.082083641,1.694619523,1.156983843,1.447589584,1.525026263
5295,C23 H44 N7 O,C23 H44 N7 O,434.3591,14.7629595,1.226559765,1.044111789,1.285194619,1.117903785,1.277298073,0.94815088,1.306694491,0.912629204,0.796553984,1.051104905,0.802066436,1.048229203,0.696524561,1.051959829
5296,C27 H42 O8,"(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside",511.3183,12.200991,1.656464941,1.739410375,1.711804191,1.695463307,1.703795195,1.80053556,1.675654903,0.82616101,0.897074532,0.741562422,0.864732513,0.779962366,0.889775216,0.785146587
5297,C14 H18 N7 O,C14 H18 N7 O,300.1566,5.4219975,0.505008492,0.189323041,0.887944454,0.385392128,0.727769858,0.369763063,0.55183426,-0.334548568,-0.159198545,-0.543738069,-0.271209413,-0.44801257,-0.2665299,-0.378402709
5298,C51 H84 O15,"1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol",936.5778,14.762958,0.098047437,0.070883479,0.098556259,0.128758743,0.030332157,0.063602686,0.16077135,0.144247972,0.143655231,0.144955102,0.202608789,0.046114963,0.147820151,0.141944856
5299,C5 H8 N6 O,5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide,168.074,5.1510005,0.314919306,0.449165615,0.043999639,0.357176198,0.204993382,0.354609936,0.173619009,-0.156902022,-0.264505027,-0.028533525,-0.135845165,-0.213799842,-0.138208741,-0.168954269
5300,C27 H46 O8,C27 H46 O8 Esi+13.781987,498.3197,13.781987,0.828372415,0.560473481,1.005011503,0.588561766,0.974523845,0.466163837,1.105707792,0.967523882,0.737512241,1.241923735,0.790716338,1.204506841,0.515571368,1.258914319
5301,C50 H81 N5 O12,C50 H81 N5 O12,943.5905,14.246024,1.397714961,1.367086238,1.161275895,1.387611839,1.276627089,1.206998768,1.414867408,-0.967632719,-1.094088167,-0.816773589,-0.913913863,-1.051092034,-0.920132942,-0.998257576
5302,C30 H44 N7 O18 P3 S,(R)-Phenyllactyl-CoA,937.147,14.034972,0.920889082,0.900405416,0.820405833,1.034635878,0.57073017,0.745560635,0.943506597,-0.414686652,-0.452737829,-0.369292265,-0.453930566,-0.375977829,-0.330381577,-0.469041239
5303,C18 H32 O3,12(13)-EpOME Esi+15.862041,296.2351,15.862041,0.955720689,0.99592234,0.833963256,1.003911494,0.804110596,1.056560996,0.811387967,-1.138965795,-1.328573563,-0.912767055,-1.230063022,-0.995549346,-1.386016845,-0.979682881
5304,C39 H71 N O8 P,"PC(18:4(6Z,9Z,12Z,15Z)/13:0)",729.5187,14.249019,0.473043548,0.72410095,0.183442229,0.335877496,0.335857644,0.529420375,0.345396699,-0.163015901,-0.361263342,0.073489819,-0.160062707,-0.163962715,-0.207476856,-0.134350285
5305,C32 H50 O7,Hovenidulcigenin B Esi+11.469976,546.3582,11.469976,1.147179963,1.257748413,1.02454878,1.174566167,1.100193929,1.198908599,1.123462693,0.778346703,0.866979453,0.672609388,0.801353953,0.719372643,0.828297217,0.746141767
5306,C16 H28 O2,Palmitolinoleic acid,252.2075,15.603023,1.285314733,1.289418821,1.094285971,1.245564329,1.133300392,1.29471455,1.149558825,-0.776602421,-0.89136146,-0.6396969,-0.809780751,-0.738443913,-0.819244182,-0.749109706
5307,C14 H22 N O4,Hesperaline Esi+4.4739995,266.1307,4.4739995,0.342642559,0.189069674,0.718135394,0.339747027,0.513752449,0.628083495,0.353654207,-0.458772003,0.067448889,-1.086544296,-0.260270831,-0.724884908,-0.366316228,-0.518381648
5308,C28 H55 O8 P,PA(13:0/12:0) Esi+13.016036,567.3918,13.016036,1.001641802,1.143593754,0.477612146,0.771810635,1.185945227,0.649493276,1.204203423,0.699459018,0.823523802,0.551451906,0.638884212,0.769005539,0.562573643,0.787714062
5309,C14 H21 N P,C14 H21 N P,234.1448,6.3869925,0.994967565,0.780096709,1.057733201,0.843513583,0.933983376,0.734113873,1.043093548,0.35127568,0.307843123,0.40308996,0.338896606,0.363992658,0.315340054,0.374444702
5310,C14 H18 N2 O2,C14 H18 N2 O2 Esi+4.25 :1,245.1628,4.25,0.42493681,0.563298382,0.139373274,0.36432824,0.465173357,0.318887095,0.485003547,0.629737768,0.992949516,0.196432525,0.724253971,0.55347512,0.762908345,0.543877791
5311,C9 H26 N12 O2,C9 H26 N12 O2,334.2199,11.19898,0.456492005,0.509769937,0.304503883,0.414557286,0.481102219,0.825842337,0.134903088,0.226661706,0.276196659,0.167567376,0.219230951,0.245875945,0.418796619,0.102785248
5312,C41 H60 N4 O8,Antanapeptin A,736.4332,13.954031,1.09903345,0.853265934,1.487795549,1.085208398,1.167833119,0.984359939,1.183648668,0.877275354,0.696893892,1.092467274,0.851008673,0.91294011,0.744427522,0.962927246
5313,C18 H36 N O4,"4,8 dimethylnonanoyl carnitine Esi+9.516005",329.2557,9.516005,0.51953859,0.490372518,0.465643087,0.470558777,0.60609254,0.552869625,0.499460858,0.40937223,0.439707057,0.373183313,0.382854374,0.444178237,0.405113444,0.412118026
5314,C9 H12 O3,4-Ipomeanol Esi+5.1440005,168.0784,5.1440005,0.686697614,0.822752563,0.401930356,0.916442831,0.347085365,0.838111959,0.494694444,-0.628031065,-0.805361451,-0.416479025,-0.743622601,-0.498024944,-0.789558462,-0.523888401
5315,C40 H67 N25 P,C40 H67 N25 P,928.5741,12.395015,0.996694918,0.870051403,1.015204656,0.98611395,0.910741174,1.064362088,0.877684964,1.020440986,0.998876419,1.046167136,1.072626236,0.916158192,1.182968528,0.915653492
5316,C8 H21 N6 O3,C8 H21 N6 O3,249.1685,8.805017,0.733762982,0.594889492,0.838830739,0.761976897,0.622272677,0.625592648,0.760975982,-0.461902809,-0.328065739,-0.621568085,-0.442963453,-0.517278581,-0.312700657,-0.558098932
5317,C27 H42 N2 O2,Cerdlan Esi+13.136977,425.3169,13.136977,1.234478603,1.347702707,0.988035821,1.346048798,1.138638598,1.296249646,1.217806095,-0.549492541,-0.641440787,-0.439799896,-0.562111906,-0.541284675,-0.581212712,-0.529041378
5318,C20 H41 N O3,Dihydroceramide C2 Esi+11.689963,343.3078,11.689963,0.614422909,0.795316253,0.277909278,0.69174592,0.452545796,0.722877834,0.531985708,-0.351704381,-0.475824926,-0.203630748,-0.354974679,-0.3146264,-0.408731262,-0.314937049
5319,C30 H66 N7 P S3,C30 H66 N7 P S3,651.4234,10.770997,0.990106127,0.95306269,1.00947392,0.996772032,0.893370936,1.049872035,0.94271373,0.506118999,0.540558203,0.465033632,0.539012796,0.431074484,0.594430291,0.449181455
5320,C20 H27 D5 O5,"5(S),6(R)-Lipoxin A4-d5",357.2512,8.256984,0.577127433,0.575234258,0.513092731,0.178841298,1.040715354,0.265713251,0.739680975,0.354317903,0.40204424,0.29738122,0.129749982,0.669898496,0.213724892,0.444963397
5321,C34 H55 N O3,ICI 164384 Esi+14.017031,525.4221,14.017031,0.754283739,0.839365856,0.417587851,0.408031926,1.025486892,0.580592438,0.756660331,-0.663435418,-0.839935034,-0.452874471,-0.46729755,-0.954032287,-0.663146144,-0.663621923
5322,C24 H49 N21 O3 P,C24 H49 N21 O3 P,710.4061,8.249016,0.262407403,0.00274168,0.508730552,0.253699703,0.234373568,0.155546109,0.271616449,-0.255277476,-0.006507427,-0.55205578,-0.227081694,-0.308160065,-0.070664227,-0.374304439
5323,C25 H42 N O4,Stearidonyl carnitine,437.3346,13.48297,0.727882911,1.050954631,0.06224427,0.674416262,0.599569242,0.831552175,0.572359968,-0.276198441,-0.478042921,-0.035401518,-0.281012547,-0.271918537,-0.369395246,-0.216111028
5324,C24 H26 O7,Mangostenol,426.1668,9.526,0.184642328,0.086752252,0.256213233,0.245253464,0.0883295,0.007050343,0.20834965,-0.042181296,-0.044888974,-0.038951083,-0.041418012,-0.037609368,0.116860913,-0.144721667
5325,C16 H O21 P,C16 H O21 P Esi+12.54704,559.8732,12.54704,1.831110119,1.836119371,1.732251959,1.833699231,1.725638843,1.873394706,1.752500568,1.339687566,1.406614583,1.259844809,1.375929867,1.268272307,1.433691786,1.279079582
5326,C14 H18 N2 O2,C14 H18 N2 O2 Esi+4.2089963,245.1631,4.2089963,0.445083777,0.23256293,0.592226313,0.510258908,0.243230653,0.417189796,0.353396602,-0.258524114,0.194223052,-0.79864354,-0.12893878,-0.406023147,0.035510045,-0.448098769
5327,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside Esi+7.92398,603.4189,7.92398,0.615662466,0.676825111,0.600512041,0.770286364,0.37282824,0.892953147,0.444972307,-0.970713768,-0.942015684,-1.004950079,-1.298770189,-0.542508448,-1.275367793,-0.774292094
5328,C12 H20 O5,"Polyethylene, oxidized Esi+6.338991 :1",266.1128,6.338991,0.442162856,0.412945333,0.649626544,0.512579646,0.336528656,0.61559542,0.377166194,0.350692573,0.273777186,0.442451281,0.41578814,0.251640837,0.41352652,0.310181213
5329,C27 H42 O6,Lucidenic acid M,479.3326,13.447999,0.06262729,0.166637506,0.292265435,0.032367452,0.038852784,0.193354532,0.102115057,0.049346231,0.247217899,-0.186711198,0.058390494,0.005075611,0.241848734,-0.074767226
5330,C16 H26 O6,Perilloside A Esi+9.3180065,314.1723,9.3180065,0.188108553,0.078853413,0.256512155,0.009630802,0.284141562,0.185039189,0.164193245,0.072709955,0.075806106,0.069016302,0.040336159,0.115857724,0.093502118,0.059304482
5331,C35 H67 N3 O3 P S,C35 H67 N3 O3 P S,640.4655,14.39898,0.408580982,0.392353819,0.34695097,0.4780071,0.211511479,0.442026677,0.311771616,-0.130704613,-0.125439225,-0.13698613,-0.183948752,-0.076402484,-0.189494695,-0.092800482
5332,C15 H24 O6,C15 H24 O6 Esi+8.947016,300.157,8.947016,0.800068293,0.702369882,0.689345579,0.716964137,0.577082055,0.428505036,0.868400864,-0.941561733,-0.910185132,-0.978993468,-0.943420523,-0.952908791,-0.788905809,-1.039984632
5333,C26 H57 N O6 P,2-O-ethyl PAF C-16,510.3792,14.198979,0.4776353,0.716589597,0.097780556,0.603237965,0.269883263,0.59819333,0.308586969,-0.357957335,-0.561086632,-0.115627647,-0.447869041,-0.242798569,-0.513587452,-0.257616865
5334,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+7.118014,170.0932,7.118014,0.796220999,0.809419297,0.753852257,0.755444236,0.803679823,0.701047382,0.844247709,0.342197694,0.340921945,0.343719641,0.337481958,0.33861552,0.324939159,0.353324908
5335,C12 H20 O6,Glycerol tripropanoate Esi+5.5710087,282.1079,5.5710087,0.232235751,0.358990123,0.006217261,0.228674999,0.15153648,0.212985216,0.201684922,-0.060393306,-0.127784036,0.020002654,-0.050593386,-0.065785237,-0.021303251,-0.085596104
5336,C16 H24 N6 O7,Gln Glu His Esi+7.9849873,412.1709,7.9849873,1.227045171,1.196937918,1.316252853,1.18140438,1.260725345,1.493720528,1.074352739,1.137756772,1.196286107,1.067932302,1.054134648,1.221620296,1.339876228,1.007442912
5337,C41 H75 N O8 P,"PC(18:3(9Z,12Z,15Z)/15:1(9Z))",757.5524,15.139959,1.802659044,1.988360367,1.613865839,1.886745924,1.803576279,2.12048029,1.727610174,-0.918425581,-1.0725532,-0.734554036,-0.908653424,-0.921226418,-0.946038237,-0.900622684
5338,C23 H50 N9 O S2,C23 H50 N9 O S2,531.3528,11.950993,0.1671928,0.325215564,0.089075746,0.025147885,0.372263082,0.196275516,0.176901249,0.054012567,0.17842306,-0.094406969,-0.089628709,0.202088059,0.11380005,0.015465374
5339,C23 H47 N8 P,C23 H47 N8 P Esi+15.236022,464.3595,15.236022,0.362400001,0.312473927,0.359237146,0.393356424,0.277332967,0.421034782,0.280327872,-0.49165245,-0.364547291,-0.643286673,-0.518806141,-0.472560676,-0.665263483,-0.37971902
5340,C11 H16 O4,C11 H16 O4,212.1045,5.314001,0.435065411,0.560384087,0.259104725,0.56644824,0.452890345,0.328799954,0.503790832,-0.393028002,-0.528392691,-0.231540303,-0.39030937,-0.41097677,-0.302361061,-0.45148432
5341,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione",140.0833,5.1429944,0.675621477,0.757745363,0.384660562,0.720876856,0.502279987,0.591589729,0.620489064,-0.47785663,-0.541853788,-0.401509144,-0.410487264,-0.576750403,-0.392649117,-0.532793054
5342,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.235042 :1,488.3465,15.235042,0.824934525,0.994910271,0.432329312,0.834303765,0.698533682,0.855784459,0.685956214,-0.383000173,-0.538166681,-0.197889251,-0.347009648,-0.43618201,-0.44139918,-0.345348181
5343,C15 H22 N O4,Feruloylcholine Esi+4.887002,257.1635,4.887002,0.429490066,0.697092989,0.048140321,0.544578395,0.27073226,0.275869309,0.502130501,0.301381784,0.557348935,-0.003982538,0.473888152,0.071658714,0.303511963,0.300008378
5344,C39 H61 O8 P,"PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",710.4062,13.375,0.079002144,0.405326621,0.258554024,0.214064819,0.017663876,0.314601264,0.011431299,-0.054934941,-0.285999447,0.220720961,-0.155835732,0.051434437,-0.232458399,0.059520973
5345,C20 H50 N19 O4,C20 H50 N19 O4,620.4307,13.499019,0.967651291,0.691385188,1.24014498,0.937110798,0.889314207,0.844787097,1.020110646,1.25818835,0.999307742,1.567028375,1.26222393,1.224420947,1.163985285,1.318924537
5346,C12 H21 N5 O3,cadralazine Esi+4.5640073,283.1617,4.5640073,0.847298985,1.123676874,0.327299092,0.76946874,0.856729288,0.865940715,0.802867315,-0.514290152,-0.681536922,-0.31476769,-0.482033252,-0.528363598,-0.528219644,-0.505309296
5347,C26 H54 N O8 P,PS(O-20:0/0:0) Esi+10.095972,539.358,10.095972,0.987873299,0.990406342,0.708727673,0.866953868,0.783593685,0.876233344,0.859714483,0.9159693,1.04097167,0.766843666,0.911790717,0.914251261,0.981656725,0.873618197
5348,C44 H69 N O12,Tacrolimus,803.4865,13,0.040927671,0.458994352,0.739178512,0.028996156,0.011995598,0.161910066,0.124527315,0.021582704,-0.145177072,0.220524192,0.044875401,-0.005549321,-0.0452593,0.064678207
5349,C11 H16 O6,threo-Syringoylglycerol,244.0922,4.0900116,0.049397668,0.300094406,0.335500515,0.188457391,0.198143339,0.114372204,0.017460819,0.012690773,-0.19499316,0.260454061,0.114397016,-0.101215476,-0.010159131,0.027422947
5350,<none>,<none> Esi+6.48702 :1,629.7348,6.48702,0.230053065,0.198878885,0.282562407,0.197630719,0.305074254,0.088072531,0.331627874,0.208209658,0.169764557,0.254073989,0.148339342,0.295005521,0.12512457,0.261777675
5351,C14 H6 N5 O18 P S,C14 H6 N5 O18 P S Esi+11.864012,594.9153,11.864012,0.018883182,0.10585953,0.286616455,0.018862971,0.107327425,0.153831666,0.028929527,0.003675779,-0.03696653,0.052161341,0.025525845,-0.046729565,0.081938438,-0.04678304
5352,C26 H39 N4 O4,C26 H39 N4 O4 Esi+10.12902,471.2957,10.12902,0.32685295,0.231611143,0.485435991,0.375303921,0.258718148,0.477751798,0.228014012,-0.560151827,-0.475051222,-0.661675356,-0.59745466,-0.497872188,-0.762084975,-0.429958087
5353,C32 H42 O,(all-E)-6'-Apo-y-caroten-6'-al,442.3257,14.387957,0.755832744,0.678450359,0.708791607,0.635614,0.702899788,0.633184109,0.768708666,0.542747654,0.546477625,0.538297864,0.52496625,0.552180013,0.555793859,0.534336286
5354,C16 H15 N O25 P,C16 H15 N O25 P Esi+13.970965,651.9673,13.970965,0.38138938,0.493400813,0.033312087,0.454136205,0.165038034,0.212994499,0.342336285,-0.118560879,-0.180690578,-0.044441238,-0.109653986,-0.1441855,-0.04270183,-0.167470003
5355,C48 H74 O14,Ivermectin B1a Esi+12.948979,891.5361,12.948979,0.061390275,0.500399202,0.79477421,0.105985134,0.153723754,0.223554296,0.135518964,0.036299251,-0.167502379,0.279431021,0.021154395,0.065300611,-0.056083154,0.095861591
5356,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+14.645997 :1",375.311,14.645997,0.8583633,1.035755328,0.352157253,0.765930506,0.823207539,0.972489211,0.721363056,-0.401513584,-0.558240359,-0.214541291,-0.369716233,-0.461435299,-0.47261741,-0.355670327
5357,C20 H35 N15,C20 H35 N15,485.3203,8.975981,0.493464034,0.283604437,0.879525932,0.35930092,0.640740537,0.369915545,0.586871463,-0.444238239,-0.236315487,-0.692286433,-0.351350816,-0.589480962,-0.38433975,-0.482857001
5358,C20 H32 N6 O5,Val Arg Tyr,436.2435,11.139995,1.481180104,1.519165941,1.187042382,1.540493152,1.223596745,1.53773636,1.297953475,3.077922515,3.147007279,2.995505603,3.171127956,2.908063709,3.271422441,2.953165984
5359,C19 H42 N17 O4,C19 H42 N17 O4,572.3549,13.694022,0.202303349,0.542835985,0.479618016,0.019342357,0.337043285,0.007103767,0.226663697,0.013552308,-0.206293842,0.275824909,0.178583237,-0.1885696,0.126248435,-0.059107036
5360,C49 H81 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.40095",908.5469,14.40095,0.048154294,0.064274764,0.206801575,0.065379925,0.025762402,0.096523998,0.046000787,0.105992959,0.029152956,0.197661733,0.157171331,0.010230004,0.133283043,0.088398036
5361,C16 H30 N7 O2,C16 H30 N7 O2 Esi+6.878017,352.2455,6.878017,0.441831105,0.221532782,0.74315438,0.443354649,0.446146078,0.233522249,0.509999254,-0.214995943,-0.082883834,-0.372603371,-0.169425384,-0.298187651,-0.080314822,-0.301829823
5362,C44 H85 N O13,LacCer(d14:0/18:0) Esi+12.547039,857.5807,12.547039,0.356074071,0.401081643,0.109409842,0.360999932,0.14136005,0.197027426,0.355429694,-0.099348138,-0.167522964,-0.018016767,-0.091674417,-0.132263148,-0.053804021,-0.128712108
5363,C17 H40 Cl N16 P,C17 H40 Cl N16 P,534.3088,7.343011,0.540827073,0.740157879,0.188153438,0.477658043,0.410877622,0.738655971,0.322365152,0.202720316,0.330903581,0.049799929,0.215784505,0.160860101,0.345127888,0.110904908
5364,<none>,<none> Esi+11.07699,538.7012,11.07699,0.900965075,0.763411662,0.994863894,1.08151731,0.579064986,0.909272462,0.753554303,-0.509033531,-0.487986201,-0.534142627,-0.527518505,-0.496891838,-0.443867585,-0.551048417
5365,C27 H36 O9,20-acetoxy-clavulone III,504.2352,9.547005,0.857795903,0.900495493,0.643772056,0.876027604,0.640488838,0.956946623,0.730467457,0.625877041,0.656805821,0.588979549,0.698871381,0.510385078,0.751845994,0.544660216
5366,C19 H2 O20 S,C19 H2 O20 S Esi+12.456036,581.8864,12.456036,1.712713251,1.747879262,1.747126165,1.749165134,1.715014851,1.757338081,1.761735649,0.885501879,0.932724164,0.829166521,0.919410302,0.818991583,0.939975091,0.850380993
5367,C12 H24 N6 O5,Ser Arg Ala Esi+5.177988,332.1808,5.177988,0.107919329,0.3546383,0.276430411,0.14458613,0.086990547,0.322211535,0.08259341,0.005666704,0.143546283,-0.158821216,0.062561827,-0.091650172,0.154597599,-0.090354531
5368,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.2640004,312.1633,7.2640004,2.648832813,2.538892319,2.75357798,2.689289884,2.726136476,2.557011296,2.721368413,3.051752208,2.910791583,3.219915761,3.033827168,3.106616161,2.998955008,3.085792509
5369,C31 H20 N15 O3 P,C31 H20 N15 O3 P,681.1604,9.968995,0.164946829,0.149036791,0.148687085,0.258793223,0.099898845,0.368465713,0.03072065,0.284283806,0.315760286,0.246732916,0.303124998,0.212516702,0.426816456,0.192387755
5370,C24 H49 N8 O5,C24 H49 N8 O5 Esi+9.582012,529.3832,9.582012,0.819074181,0.712796025,1.007387023,1.112584887,0.557105128,0.773606857,0.899241858,-0.901118252,-0.659044018,-1.189908566,-1.120353738,-0.637498586,-0.798890936,-0.967027969
5371,C45 H70 O13,Dinophysistoxin 1,840.463,13.979984,1.630548201,1.5069335,1.761836817,1.644093775,1.648660681,1.63686438,1.655609509,1.106658959,0.998593731,1.235578881,1.074842645,1.145887578,1.015614161,1.165358895
5372,C6 H18 N6 O2,C6 H18 N6 O2,206.1472,5.9479985,0.819911373,0.992155139,0.48308848,0.75682058,0.894896687,0.839393985,0.758032907,-0.498257775,-0.620126943,-0.352869996,-0.435555444,-0.597852631,-0.520319874,-0.484033527
5373,C38 H66 N2 O4 S2,C38 H66 N2 O4 S2,677.4474,12.643006,1.504083898,1.503380988,1.476789144,1.500027107,1.420467342,1.513748468,1.488643117,0.887639243,0.956164099,0.805890292,0.897199716,0.845806297,0.949911618,0.847489949
5374,C35 H58 O7,Melilotoside A Esi+10.472,612.3976,10.472,0.588940709,0.750502756,0.341142887,0.546441445,0.483831985,0.789902287,0.455702381,0.36765479,0.530696178,0.173149275,0.426918867,0.263105414,0.575594094,0.23358866
5375,C46 H75 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))",866.5041,14.164005,0.232675903,0.208495456,0.205793234,0.286723049,0.158020478,0.35019351,0.152003387,0.272143203,0.283628544,0.258441393,0.344048236,0.13979046,0.402619435,0.188020369
5376,C35 H44 N S,C35 H44 N S,510.3196,14.334976,0.085045722,0.174061818,0.469287718,0.211994773,0.052380482,0.315022661,0.020278433,0.109752538,-0.043392898,0.292452358,0.172176026,0.026187052,0.211329624,0.044262049
5377,C16 H O19 P,C16 H O19 P Esi+13.663027 :1,527.8865,13.663027,0.359806095,0.46449979,0.055477209,0.456960288,0.19497377,0.254649634,0.290750545,-0.105863201,-0.147060968,-0.056714988,-0.0814975,-0.152183706,-0.03054986,-0.154420487
5378,C13 H28 O5,C13 H28 O5,264.1932,7.6719975,0.504556614,0.355801097,0.669248865,0.370514804,0.66720461,0.356349149,0.591280002,-0.330130136,-0.237487054,-0.440651709,-0.231521502,-0.489508461,-0.202992137,-0.412100689
5379,C16 H28 N2 O4,Oseltamivir,312.2064,13.537035,0.727622729,0.744425563,0.519053204,0.910700621,0.331310393,0.813004406,0.462562672,-0.582959054,-0.654701421,-0.49737167,-0.760031107,-0.329963845,-0.713965788,-0.498494186
5380,<none>,<none> Esi+11.968995 :1,494.6755,11.968995,0.264907416,0.135366531,0.541518312,0.235671829,0.242561022,0.346102083,0.258846597,0.134661989,0.10059157,0.175307402,0.156750173,0.081916829,0.196165949,0.09500812
5381,C26 H42 O8,Fusicoccin H,482.2942,11.675028,1.647857734,1.642734212,1.485008405,1.720262732,1.352925965,1.627309723,1.50849909,1.211566907,1.27257306,1.138787636,1.295648661,1.068607822,1.279443388,1.167804439
5382,C23 H51 N P S,C23 H51 N P S,404.3499,15.35597,0.875049657,1.016888032,0.525743451,1.06850925,0.6057512,1.152449335,0.646783721,-0.589957747,-0.784614111,-0.357736119,-0.671822793,-0.488784247,-0.768064216,-0.475125944
5383,C41 H60 O11,Avermectin B1a monosaccharide,750.3952,14.923028,1.851628659,1.849903137,1.885287819,1.869033025,1.864965822,1.92263826,1.82939691,1.542695185,1.545305262,1.539581408,1.568816784,1.508566777,1.604838034,1.502629401
5384,C15 H27 N8,C15 H27 N8,319.2344,4.914992,0.607131445,0.790141621,0.245427669,0.628153952,0.435932501,0.647182984,0.461019418,-1.054995212,-1.392975583,-0.651790558,-1.118566928,-0.884484836,-1.062638481,-1.050067314
5385,C31 H48 O6,Pokeberrygenin Esi+16.591015,516.3487,16.591015,1.102874894,1.170972295,1.072020319,1.102974701,1.135604144,1.071827396,1.163194643,-0.465325674,-0.483435558,-0.4437209,-0.460545426,-0.467960257,-0.427658935,-0.489610808
5386,C39 H66 O5,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0) Esi+14.252983",613.4746,14.252983,0.092861478,0.157912132,0.401712698,0.037978329,0.209791509,0.21381525,0.328768144,0.043893828,-0.080511739,0.192307487,-0.013895662,0.121990287,-0.11897712,0.148902729
5387,<none>,<none> Esi+12.264974,475.8354,12.264974,0.95047567,0.835557584,1.073862974,0.936149274,0.905438767,1.058882625,0.884914572,0.447106875,0.437149767,0.45898553,0.460437401,0.408438391,0.534285887,0.390899354
5388,C15 H2 O12 P S3,C15 H2 O12 P S3 Esi+13.319021,500.8418,13.319021,1.828440411,1.938145047,1.887435643,1.882242433,1.956691552,1.978489269,1.907545667,0.940004382,0.993838864,0.875780789,0.95462435,0.905667063,0.982467405,0.912626906
5389,C17 H26 O5,Valdiate Esi+9.514005,310.1755,9.514005,0.546809347,0.44205055,0.569156764,0.533884994,0.433412293,0.569843941,0.489625147,0.488455353,0.441159102,0.54487895,0.538376753,0.402435969,0.546855427,0.450802673
5390,C49 H78 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) Esi+12.607976",838.5476,12.607976,1.093369977,1.007448496,1.304203753,1.082094791,1.131105777,1.211792374,1.083468359,0.633779149,0.612958873,0.658617373,0.629584825,0.613220082,0.723853179,0.575705104
5391,C43 H75 O7 P,"PA(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+10.674001",733.5181,10.674001,0.083575814,0.096482335,0.018637105,0.149470814,0.032193636,0.061137993,0.078714749,-0.003703021,0.002272247,-0.010831411,0.013797842,-0.057919421,0.094090326,-0.066753995
5392,C30 H50 O5,Cycloastragenol Esi+14.952948,490.3631,14.952948,1.553486798,1.742666527,1.330169214,1.678133554,1.465866108,1.627361692,1.530910954,-1.189378113,-1.489478873,-0.83136317,-1.160099896,-1.248881457,-1.144908777,-1.218049132
5393,C35 H60 O5,"DG(12:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]",560.4489,16.24902,2.227052304,2.305214128,2.117804554,2.30099412,2.214901664,2.302427899,2.211115446,-2.740913097,-2.934935304,-2.509448009,-2.832432102,-2.625780434,-2.834377477,-2.680653168
5394,C17 H46 N9 O P,C17 H46 N9 O P,423.3552,13.891042,0.988164857,0.953611215,1.056451324,1.06886127,1.0308933,0.83253185,1.145926586,0.641004086,0.593044464,0.698219073,0.630112616,0.638846526,0.489232112,0.738857069
5395,C41 H46 N2 O4 S2,C41 H46 N2 O4 S2,694.2895,16.114992,0.279168639,0.489894048,0.133419392,0.553819936,0.023689174,0.47416305,0.169614508,-0.303761523,-0.457090622,-0.120842599,-0.485175188,-0.064759455,-0.412111778,-0.233904122
5396,C14 H20 O4,QH(2) Esi+8.462011,252.1359,8.462011,0.006839571,0.076420552,0.029766093,0.133492393,0.092675681,0.058580761,0.026024676,0.006297669,-0.024650203,0.043217937,-0.07180397,0.109364095,0.035411397,-0.012473024
5397,C12 H21 N O17 S2,"3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine Esi+12.368974",514.0225,12.368974,0.096905168,0.007372,0.336026217,0.060560716,0.252956973,0.166431624,0.172265693,0.091630313,0.066907783,0.121123858,0.113021222,0.046080737,0.135427924,0.06339238
5398,C35 H52 O5,Oxepahyperforin Esi+9.604986,551.3769,9.604986,0.90725347,0.822450589,1.011241368,1.152707591,0.593378294,0.897802166,0.829083057,-0.469559698,-0.418276101,-0.53074013,-0.510218536,-0.432674719,-0.395934359,-0.517028666
5399,C20 H34 O7,Oleandolide,386.231,9.406988,0.452338784,0.866284625,0.128048331,0.815828366,0.058294444,0.639066591,0.487881629,-0.347029022,-0.552912144,-0.10141407,-0.53191574,-0.025683574,-0.446769955,-0.282722368
5400,C10 H12 O5,3-Hydroxy-4-methoxyphenyllactic acid Esi+4.309998,212.0658,4.309998,0.320962952,0.278741868,0.281157144,0.384196778,0.187728792,0.283238696,0.298799503,0.334488795,0.353018752,0.312382881,0.461526383,0.146287415,0.373555391,0.309301121
5401,<none>,<none> Esi+11.729003 :1,457.8052,11.729003,1.651952089,1.682321386,1.707476583,1.691863667,1.613788698,1.744020311,1.671855548,0.850957967,0.902202291,0.789824387,0.886113884,0.776967827,0.926811114,0.802052648
5402,C25 H54 N14 O3 P,C25 H54 N14 O3 P,629.4232,14.768013,0.622943692,0.683071133,0.449646007,0.643582908,0.513302284,0.393778119,0.671750044,-0.401059814,-0.490193288,-0.294725144,-0.382776514,-0.423164174,-0.258739024,-0.492819271
5403,C38 H50 O6,Guttiferone A,624.3324,6.797984,0.050647966,0.057502043,0.272017778,0.087153854,0.112475342,0.082803669,0.158853089,-0.066655945,0.030534316,-0.182602222,-0.054138797,-0.10308511,0.051123617,-0.142592768
5404,C28 H7 N6 O16 P,C28 H7 N6 O16 P Esi+12.013984,713.9648,12.013984,1.769786536,1.723139819,1.784010635,1.790054607,1.713465141,1.707566538,1.819648079,1.612246354,1.66104368,1.554031999,1.694369492,1.468092492,1.663105289,1.579455724
5405,C16 H26 N7,C16 H26 N7 Esi+12.120982,316.2247,12.120982,2.434528327,2.385259144,2.590803151,2.551331564,2.485879302,2.408756208,2.546340477,2.9817828,2.897365255,3.082491451,2.875082713,3.097901754,2.877787155,3.048832624
5406,C42 H76 N6 O4 P,C42 H76 N6 O4 P,759.5681,14.820017,0.327431974,0.361796815,0.134548309,0.194143523,0.361292134,0.270727877,0.305928187,-0.196446142,-0.290873795,-0.083795608,-0.170030279,-0.246478464,-0.187327462,-0.202325291
5407,C20 H47 N9 O6 P,C20 H47 N9 O6 P Esi+12.638981,540.3545,12.638981,1.858844676,2.041599736,1.592699988,1.724100118,1.896063556,1.808070517,1.854252709,1.192769765,1.303881657,1.060215228,1.187910023,1.184106188,1.172602077,1.205772617
5408,C14 H20 N2 O16 P2,UDP-L-Ara4O Esi+10.670988,534.029,10.670988,1.054173383,0.984725916,1.028818727,1.192658486,0.785158419,0.892243105,1.036750505,-0.547466656,-0.537317891,-0.559573953,-0.566142406,-0.537956424,-0.440113575,-0.616681142
5409,C20 H3 N4 O16 P,C20 H3 N4 O16 P,585.9274,14.246027,0.727569829,0.808343568,0.561018557,0.871897242,0.581963445,0.605356392,0.740924668,-0.382967597,-0.421503364,-0.336995104,-0.368014191,-0.407451401,-0.278850583,-0.450095672
5410,C28 H57 N4 O4 P,C28 H57 N4 O4 P,544.4107,15.238024,0.402243052,0.446620002,0.160895681,0.356847037,0.331218077,0.2457814,0.371536186,-0.165816698,-0.253455451,-0.061265203,-0.123404195,-0.237119654,-0.137452763,-0.184103972
5411,C11 H15 N3 O4,Pyricarbate Esi+4.5,252.0973,4.5,0.799576352,0.718175835,0.740798102,0.692173834,0.738913446,0.732103937,0.75063595,0.910660098,0.928841267,0.888970283,0.930179436,0.861236707,0.947687468,0.886787189
5412,C25 H51 O7 P,PA(22:0/0:0) Esi+12.833007,494.3352,12.833007,1.574341164,1.51924035,1.443029315,1.457912779,1.518575853,1.276631282,1.637930822,1.18278828,1.257469046,1.093695435,1.163649155,1.201553177,1.133506826,1.214561849
5413,C20 H45 N4 O P S2,C20 H45 N4 O P S2,452.2797,12.249019,1.172865681,1.192051757,1.171694512,1.017905505,1.319363496,1.026008002,1.187214389,0.938026917,0.93665489,0.939663721,0.862420188,1.01508479,0.84752156,0.996379055
5414,C22 H32 N16 O,C22 H32 N16 O,536.2956,12.385988,0.701620376,0.513823659,0.86421433,0.775427991,0.564107214,0.713654196,0.667234852,0.790212173,0.639828483,0.969617277,0.891171746,0.649046262,0.842215633,0.756683626
5415,C19 H28 N20,C19 H28 N20,536.28,6.553986,0.393027025,0.00234671,0.857012789,0.235773062,0.633581489,0.021919275,0.631077289,-0.265435532,0.007244968,-0.590738584,-0.12945764,-0.476734943,0.025869259,-0.453250462
5416,C9 H12 O3,4-Ipomeanol Esi+4.836008,168.0784,4.836008,0.456306197,0.286000788,0.650747761,0.18882121,0.647383892,0.420465912,0.426659272,0.44258061,0.272095595,0.645966241,0.355757155,0.565749065,0.496125594,0.408058186
5417,C18 H27 N2 O,C18 H27 N2 O,287.2119,7.068979,0.316044845,0.423135635,0.249377737,0.306309971,0.177690695,0.7437028,0.017895358,-0.171086212,-0.265254363,-0.05874526,-0.189997477,-0.115653294,-0.674171515,0.153271417
5418,C21 H42 O4,MG(0:0/18:0/0:0),380.2902,15.648976,1.663619114,1.818401941,1.580907861,1.824633,1.747046976,2.032813934,1.641045579,-1.082095457,-1.22798969,-0.908046196,-1.106916111,-1.05971363,-1.165043073,-1.028616073
5419,C14 H24 O4,Monomenthyl succinate Esi+10.52401,239.1404,10.52401,1.72031287,1.664011693,1.776334398,1.61588038,1.845495369,1.595293487,1.80413499,1.711994405,1.514349614,1.947781173,1.547757126,1.925885341,1.569722719,1.803722202
5420,C29 H57 N14 P,C29 H57 N14 P Esi+15.131041,628.4289,15.131041,0.666713631,0.698443671,0.603058781,0.779316241,0.579954219,0.609463763,0.632135511,-0.472125932,-0.538839769,-0.392537495,-0.537154109,-0.40680154,-0.496015641,-0.456723356
5421,C23 H41 N O5,N-oleoyl glutamic acid Esi+11.906005,411.3014,11.906005,1.182790298,1.169364759,1.252523285,1.219629775,1.202914944,1.171990747,1.241333035,-0.812991894,-0.776947144,-0.855992649,-0.743800445,-0.916427016,-0.749471814,-0.853945631
5422,C19 H37 N O5,C19 H37 N O5 Esi+8.875,359.2662,8.875,0.736757685,0.760081899,0.630988276,0.58209337,0.883130396,0.798799482,0.728260661,0.405039226,0.483542584,0.311386097,0.353455955,0.468258516,0.46878434,0.363940403
5423,C32 H51 N O10,"b-D-Glucopyranosiduronic acid, (3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl Esi+5.247996",609.3485,5.247996,0.0436449,0.111233452,0.098473449,0.032462596,0.062230498,0.305498378,0.132253687,0.010932633,0.069367021,-0.058778566,-0.01879437,0.010648589,0.22656161,-0.128091312
5424,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+14.313979,848.5826,14.313979,1.089631115,1.113144155,0.90636407,1.207321736,0.827134507,1.114945011,0.986289755,-0.697335964,-0.80228348,-0.572135419,-0.693670312,-0.715960194,-0.689781962,-0.702206308
5425,C44 H16 Cl N11 O S2,C44 H16 Cl N11 O S2,813.0667,13.75902,0.00647013,0.111543485,0.34495781,0.01093145,0.20365824,0.178816385,0.045803585,0.047463912,0.001212149,0.102641454,0.061018549,0.014111486,0.114365196,0.004330189
5426,C16 H28 N4 O4 S,Biocytin,372.1856,8.43701,0.274599273,0.130882733,0.434634221,0.345502229,0.080381149,0.068016721,0.437360949,-0.077402143,-0.01704474,-0.149407466,-0.12479471,-0.005031899,0.04115084,-0.153837619
5427,C34 H56 N6 O4,C34 H56 N6 O4,612.4043,14.790023,0.642584689,0.825412731,0.299422956,0.690637333,0.58137976,0.416327237,0.716299276,-0.411869802,-0.632671898,-0.148456775,-0.434510679,-0.395626113,-0.2533675,-0.514062075
5428,C24 H14 D9 N O2,JWH 018 7-hydroxyindole metabolite-d9,383.251,6.241989,1.313869637,1.242752898,1.027038067,1.233926175,1.057810543,1.096670574,1.227081089,-0.751811868,-0.78713126,-0.709676453,-0.741620323,-0.768403213,-0.722834012,-0.770494959
5429,C28 H48 N7 O,C28 H48 N7 O,498.387,14.758039,1.052766535,1.090511596,0.984366367,0.85868899,1.224384275,0.935264149,1.077006402,-0.643863577,-0.72608169,-0.545778812,-0.508005363,-0.85001105,-0.573722602,-0.689086048
5430,C12 H20 O6,Glycerol tripropanoate Esi+5.3869987,282.1073,5.3869987,0.275326135,0.339114565,0.054433017,0.485860472,0.026368316,0.257312539,0.207877249,-0.099903011,-0.108295447,-0.089890981,-0.166750037,-0.015424385,-0.038761255,-0.139323353
5431,C8 H15 N3 O3,C8 H15 N3 O3,201.1111,1.1450014,0.795862632,0.708089547,0.898644774,0.639325481,1.127474284,0.394310953,0.990613801,0.438331747,0.494140781,0.371752549,0.379270962,0.555492347,0.292283271,0.53249458
5432,<none>,<none> Esi+11.107002,512.8168,11.107002,0.569050769,0.883201674,0.099932703,0.62761659,0.379795167,0.683712811,0.409854452,-0.21425766,-0.399189762,0.006363093,-0.235859917,-0.178188599,-0.302404038,-0.157426443
5433,C23 H23 N O7,Bisacodyl diphenol glucuronide,424.1423,10.81299,0.768346669,0.746614589,0.569705683,0.481430347,1.003912857,0.68376522,0.744470205,-0.512084732,-0.557888733,-0.457441363,-0.405072882,-0.668720594,-0.502698418,-0.518136434
5434,C33 H57 N6 O4 P,C33 H57 N6 O4 P,632.4143,13.194005,1.448794761,1.281252641,1.597870586,1.478293234,1.303605682,1.397635666,1.4808345,2.283566212,2.08804104,2.516824311,2.349819211,2.174769535,2.189713931,2.344076235
5435,C38 H61 N15 O2,C38 H61 N15 O2,759.5153,14.251971,0.113745115,0.102261909,0.233546427,0.215660819,0.052360398,0.318525323,0.010567415,0.054395724,0.041631459,0.069623268,0.125993646,-0.035439,0.251252326,-0.072524981
5436,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.200992",550.312,12.200992,0.230571533,0.076357917,0.381213916,0.096107187,0.311001655,0.133516865,0.25889914,0.236669373,0.09548633,0.405098266,0.147336104,0.350232439,0.181220051,0.272419593
5437,C31 H58 Cl2 O3,C31 H58 Cl2 O3,548.3813,12.69197,0.724039834,0.609312254,0.952730563,0.668173986,0.894948065,0.992703564,0.610896229,0.586456676,0.539923812,0.641969567,0.580182961,0.601199408,0.770424405,0.467845904
5438,C14 H20 O5,Kamahine C Esi+6.9849877,268.1288,6.9849877,0.114488385,0.074694928,0.218822163,0.188250286,0.005410644,0.036530571,0.20912401,-0.016165522,0.10033268,-0.155145833,0.166632093,-0.201163061,-0.036338305,-0.003159385
5439,C29 H37 N3 O2,Deoxytubulosine Esi+13.025955,459.2826,13.025955,0.952408095,0.673748404,1.308784553,1.007932797,0.952010413,0.979009208,0.96922267,0.808155654,0.562406011,1.101330666,0.785250267,0.856025039,0.747986525,0.846948908
5440,C12 H20 N6 O4,C12 H20 N6 O4 Esi+5.9010005,312.155,5.9010005,2.107096997,2.133295097,2.020554436,2.251676121,1.937450819,2.173917806,2.056425844,-2.148847189,-2.160306792,-2.135176083,-2.289451971,-1.943267822,-2.231286629,-2.095695444
5441,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+7.12801",226.1198,7.12801,0.524072515,0.494582109,0.256293469,0.591349812,0.180385874,0.422258789,0.356024012,-0.348495967,-0.41178278,-0.272995909,-0.381440527,-0.282212482,-0.345793144,-0.350238576
5442,C40 H54,"1',2'-Dihydrochlorobactene",556.404,15.774969,1.303429154,1.288577745,1.20335499,1.25082988,1.340095314,1.198054448,1.358349613,-0.970454207,-1.081236145,-0.8382933,-0.921283902,-1.049619833,-0.929401379,-0.996922478
5443,C25 H36 O5,6'-Exomethylenesimvastatin,416.256,11.95603,2.085227817,2.202807467,1.917350046,2.113135973,2.066652351,2.218370641,2.032011991,2.070743163,2.299206998,1.798189816,2.119940592,1.967269837,2.214304239,1.978184048
5444,<none>,<none> Esi+13.283993,495.6678,13.283993,2.03202341,2.051627462,2.07594154,2.035484108,2.168325783,2.081483886,2.111836474,1.094235238,1.126213194,1.056086098,1.093364291,1.083537352,1.09755295,1.092096187
5445,C13 H24 N6 O4,Arg Pro Gly,345.2145,8.8780155,1.146547338,1.205682755,1.17120588,0.930640114,1.424618747,1.158290939,1.184962345,0.557751034,0.558283835,0.557115411,0.501011843,0.634755668,0.533133304,0.573622991
5446,C20 H43 N O7 P,PC(0:0/12:0)[U] Esi+7.9060054,457.3065,7.9060054,0.806842656,0.901955757,0.764999424,1.015751299,0.530492022,1.133403345,0.597505984,-0.962720254,-0.92512355,-1.007572463,-1.241502914,-0.60018594,-1.268710585,-0.765437015
5447,C24 H41 N12,C24 H41 N12,497.3519,15.535953,0.726822255,0.878482824,0.355906312,0.659112387,0.654667158,0.718285828,0.61223348,-0.161757196,-0.231847774,-0.078140365,-0.146093032,-0.191230296,-0.171501068,-0.155474962
5448,C20 N2 O21,C20 N2 O21 Esi+12.38796 :1,603.8996,12.38796,1.337055591,1.198778746,1.358942212,1.231561462,1.334208153,1.116429125,1.425112651,0.83738958,0.836684265,0.83823101,0.864008798,0.778491098,0.846749276,0.83135504
5449,C24 H40 N6 O8,C24 H40 N6 O8 Esi+10.038003,540.2913,10.038003,2.044902741,2.007622136,2.023822299,2.057793778,2.01435418,2.032770174,2.097517938,2.14590022,2.094258419,2.207507982,2.079390759,2.208897009,2.177762859,2.125357203
5450,C44 H81 N23 O4,C44 H81 N23 O4,995.6804,13.553974,0.526593313,0.560308589,0.319863672,0.362104418,0.537109785,0.094707968,0.645777549,-0.356114288,-0.454666276,-0.238543496,-0.142805469,-0.695258131,0.063977572,-0.626962987
5451,C33 H56 O12 S,Evasterioside A,676.3576,13.164003,1.310063722,1.194750709,1.602775204,1.526294055,1.256416807,1.433348724,1.384338481,0.713484203,0.600618621,0.848130863,0.754300216,0.646182504,0.688125955,0.7298336
5452,C28 H63 N16 O3 P,C28 H63 N16 O3 P,701.4724,14.220964,0.13361209,0.203185336,0.01304717,0.151515755,0.040048617,0.123003883,0.145781807,0.145617455,0.220588912,0.056177822,0.192922996,0.044628014,0.079379591,0.188323446
5453,C19 H48 N20 O2,C19 H48 N20 O2,588.4264,10.146979,0.104666478,0.113618507,0.026882884,0.267092978,0.085270775,0.009384818,0.132878624,-0.085240774,-0.082670385,-0.088307202,-0.160163452,-0.000368167,0.000882862,-0.140767855
5454,C28 H49 N O8 P,"PC(6:2(3E,5E)/14:2(11E,13E))",535.3257,9.253018,0.842309446,0.584906213,0.945565566,0.961053883,0.560558409,0.88375907,0.623403638,-0.480573587,-0.349496254,-0.636946546,-0.558490761,-0.369032155,-0.692905823,-0.343675172
5455,C15 H39 N6 O3 P,C15 H39 N6 O3 P,381.2651,11.361012,0.428342442,0.645417667,0.179167112,0.82214636,0.02372874,0.585092607,0.291862917,-0.209388597,-0.326996282,-0.069084691,-0.370070772,-0.008450347,-0.329295458,-0.132080225
5456,C42 H76 N17 O3 P,C42 H76 N17 O3 P,897.6009,14.131034,1.359611116,1.44272649,1.11252715,1.386041353,1.263370026,1.159224269,1.461189719,-0.707638327,-0.83453192,-0.556256498,-0.694154216,-0.754029122,-0.603322505,-0.774894581
5457,<none>,<none> Esi+14.4529505,827.0818,14.4529505,0.546030462,0.600527369,0.303458026,0.703976906,0.226499506,0.377307524,0.527633243,-0.21137517,-0.254396397,-0.1600516,-0.250240416,-0.177258076,-0.138414851,-0.258415375
5458,C6 H15 N O,2-Diethylaminoethanol,117.115,0.86099714,0.427598314,0.294963737,0.578705089,0.219544815,0.604476117,0.262605471,0.564473312,0.468572335,0.310013284,0.657730501,0.398675747,0.550265281,0.350289393,0.544833705
5459,C21 H44 O5,C21 H44 O5 Esi+14.389961,376.3183,14.389961,0.656769485,0.596101732,0.651160938,0.724864688,0.480747913,0.566037448,0.646681624,0.490554485,0.524892434,0.449589915,0.589313151,0.325833077,0.471653738,0.502740494
5460,C32 H50 O8,Baliospermin Esi+15.31805,562.3494,15.31805,0.816747476,1.020315365,0.343364588,0.900742205,0.547357653,0.726072401,0.74462867,-0.940112058,-1.205209687,-0.623855237,-1.055384663,-0.765785939,-1.001319638,-0.900649276
5461,C20 H36 O5,11?-Prostaglandin F1?,356.2558,11.26199,2.155406686,2.059500596,2.249518912,2.042776121,2.302918981,1.861408963,2.318199354,3.031932244,2.71246363,3.413052695,2.790478695,3.346436696,2.720196473,3.23291978
5462,C19 H44 N13 S,C19 H44 N13 S Esi+14.71099,486.3451,14.71099,1.171144201,1.207678477,1.039278054,1.293637787,1.033913505,1.02189577,1.165081413,-0.543746117,-0.649170077,-0.417977182,-0.541729867,-0.577121051,-0.39914467,-0.636975997
5463,C11 H12 O5,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone Esi+3.3270028",224.0662,3.3270028,1.193401557,1.11401062,1.25229223,1.258393711,1.006799242,1.477541123,0.965326398,1.241183486,1.169245147,1.327004662,1.37551309,1.065010337,1.55987489,1.035711396
5464,C22 H38 N3 O P S,C22 H38 N3 O P S,422.2627,13.954034,0.437657829,0.173183479,0.75143766,0.435867942,0.422937144,0.49306885,0.405726194,0.29377505,0.193775135,0.413073193,0.307122509,0.266783927,0.319424986,0.277237591
5465,C26 H52 N O8 P,PS(P-20:0/0:0) Esi+13.552983,536.3322,13.552983,1.855028648,1.65306175,1.932017309,1.819794105,1.806423429,1.714652248,1.889837371,1.365009101,1.272743864,1.475079911,1.341437989,1.388897824,1.277540364,1.421403418
5466,C9 H7 N O,3-Methyleneoxindole,145.0526,6.1390066,0.527639824,0.469694209,0.448191469,0.600715026,0.298341716,0.675151705,0.29762247,-0.238784846,-0.283202721,-0.1857951,-0.226282598,-0.23095814,-0.33587177,-0.176189329
5467,C35 H75 Cl N15 O5,C35 H75 Cl N15 O5,820.5741,14.157974,0.880011248,0.852779894,0.792771296,0.830765662,0.786361298,0.912844697,0.801946732,-0.812701447,-0.907686825,-0.699385558,-0.772728506,-0.85426544,-0.887007117,-0.764793845
5468,C14 H22 O7,Garcinia lactone dibutyl ester Esi+4.9870105,302.134,4.9870105,0.929537336,0.82694984,1.071380071,0.876986544,0.993668075,0.950558442,0.937291817,-0.777543421,-0.653404567,-0.925638897,-0.608902958,-0.986760159,-0.67097929,-0.846249242
5469,C22 H45 O7 P,PA(19:0/0:0),452.2866,8.68997,0.059313902,0.126481729,0.125646911,0.18460666,0.287423745,0.033618088,0.108324247,-0.024999622,0.081342281,-0.151863647,-0.125665262,0.092785054,-0.005744089,-0.037414374
5470,C24 H17 N3 O7 S3,C.I. Direct Red 45,555.0293,11.770015,1.131085321,0.96624181,1.279231022,0.978665123,1.216945459,0.913279895,1.256350073,0.950823521,0.9290488,0.976800381,0.932262402,0.957902322,0.904828036,0.980478505
5471,C21 H28 F N O,XLR11 Esi+6.869011,329.2199,6.869011,0.488111447,0.527470065,0.289616193,0.519806654,0.416890663,0.442443548,0.449692993,0.423846175,0.57172898,0.247424583,0.535646583,0.293558814,0.471714986,0.392983389
5472,C26 H47 Cl N5,C26 H47 Cl N5,464.3513,13.891038,0.483749329,0.357190353,0.567465656,0.335471369,0.537543676,0.330389006,0.555103779,0.343444284,0.321528894,0.36958896,0.326720505,0.35673846,0.305826557,0.367697819
5473,C39 H67 O8 P,"PA(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))",694.4604,14.740981,0.651875714,0.569474542,0.655464438,0.637666071,0.603710291,0.642502387,0.647013223,0.425323868,0.416522707,0.435823498,0.452168067,0.389389468,0.470616587,0.396121983
5474,C36 H62 O12,C36 H62 O12 Esi+13.500981,686.4327,13.500981,0.280233839,0.057227024,0.654376592,0.275909531,0.32736262,0.288037381,0.360881967,0.45389044,0.198933764,0.758049282,0.452394343,0.43544189,0.393099135,0.493084834
5475,C34 H50 N4 O2,"endo-1,4-beta-Xylanase Esi+13.629956",545.3912,13.629956,0.388483682,0.493974299,0.15039229,0.227772964,0.433617458,0.294400041,0.314131645,-0.108628416,-0.226094296,0.031506318,-0.040131487,-0.194174775,-0.111692363,-0.106652977
5476,C30 H59 O10 P,PG(12:0/12:0),609.3772,7.931022,0.277667345,0.27424868,0.308798999,0.365528731,0.108111019,0.412970078,0.147510043,-0.246748846,-0.182444064,-0.323463324,-0.349486937,-0.132021186,-0.266643123,-0.233922273
5477,C43 H72 O10,20-Deoxynarasin,770.4961,14.91998,0.250091199,0.101712082,0.348168219,0.265296354,0.190667502,0.299846961,0.23309615,0.159520138,0.108998422,0.219791659,0.192762247,0.123316954,0.226123514,0.116578487
5478,<none>,<none> Esi+13.97297,644.7812,13.97297,0.290532768,0.436418505,0.096886105,0.356936086,0.102901075,0.178386861,0.295295426,-0.075300817,-0.189879813,0.061389914,-0.077564711,-0.095449399,0.015556734,-0.133880028
5479,C42 H79 N O8 P,"PC(16:1(7Z)/18:2(9Z,12Z))[U]",773.5847,15.370052,0.667133815,0.642612382,0.524441907,0.512730675,0.680303082,0.524911867,0.629648464,-0.269948212,-0.329124421,-0.199352034,-0.229552689,-0.331796866,-0.214518431,-0.305685835
5480,<none>,<none> Esi+12.028004,895.1007,12.028004,0.545246924,0.394712182,0.663077536,0.570567208,0.436184918,0.643397162,0.439770368,0.334681918,0.292178725,0.385387481,0.358904687,0.266599623,0.420396023,0.279418876
5481,C25 H36 O9,8-Hexanoylneosolaniol Esi+8.741974,480.2339,8.741974,0.667440399,0.700662972,0.546818314,0.698364583,0.503766907,0.972047062,0.410752796,0.552215274,0.591095252,0.505832141,0.621162202,0.423486663,0.788477229,0.399888486
5482,C7 H14 O5,D-Thevetose,200.0659,3.4080055,0.206470856,0.183878748,0.227373355,0.019024913,0.553890351,0.201085657,0.566956867,-0.104644871,-0.120522472,-0.085703173,0.007795848,-0.246864881,0.042453855,-0.199484839
5483,C35 H56 N6 O6,Enalkiren,656.4242,10.41897,0.833709013,1.02073953,0.552844734,0.749443308,0.825146792,0.929143048,0.760648415,0.461438333,0.592440275,0.305155315,0.474430546,0.421530362,0.588975496,0.379210426
5484,C30 H59 O8 P,PA(15:0/12:0),578.3953,15.229003,0.555719157,0.446285969,0.847717363,0.60732595,0.64370044,0.70349591,0.587877872,0.439873326,0.338811735,0.560438031,0.420840201,0.46068239,0.430340954,0.446019197
5485,C35 H56 N6 O6,Enalkiren Esi+14.337981,673.4562,14.337981,1.808385277,1.77951419,1.698651094,1.783052228,1.777560669,1.855954946,1.735483103,-1.901105823,-1.999748529,-1.783426805,-1.738026173,-2.100242309,-1.965025276,-1.859894596
5486,C32 H59 N11 O3 P,C32 H59 N11 O3 P,676.4511,13.898994,1.775450151,1.838851978,1.494184356,1.767182561,1.648107073,1.763954786,1.731819389,2.17065542,2.49636731,1.782086849,2.26597494,2.007768808,2.333338246,2.065767808
5487,C21 H51 N20 O4,C21 H51 N20 O4 Esi+8.925022,647.4408,8.925022,0.485871504,0.44599488,0.649443706,0.598440526,0.384334391,0.439107895,0.482755248,-0.309835223,-0.238804369,-0.394573786,-0.330787616,-0.308863674,-0.235693862,-0.35763689
5488,C8 H13 N O,5-Pentyloxazole Esi+5.927988,139.0968,5.927988,0.499970839,0.647790531,0.186661178,0.446462268,0.402589644,0.773098185,0.267400299,0.397277469,0.640270851,0.107390628,0.385354627,0.407839934,0.715688135,0.191986382
5489,C20 H41 N8 O P,C20 H41 N8 O P,440.3138,14.391045,1.33384896,1.441639456,1.130354099,1.421371172,1.219714567,1.371240816,1.292063951,0.845243916,0.926002396,0.748900465,0.880274405,0.783624509,0.821169761,0.860765411
5490,C46 H81 N22 O P,C46 H81 N22 O P,988.668,13.258037,0.420846587,0.36082573,0.357451422,0.417832538,0.227907707,0.17289324,0.48739002,-0.120157101,-0.130528727,-0.107783933,-0.110934111,-0.154506404,-0.037317705,-0.173566711
5491,<none>,<none> Esi+13.419981,478.8289,13.419981,1.078565993,1.546463815,0.788200998,1.020019395,1.283877419,1.433789497,1.044424379,0.810157043,1.006309171,0.576150995,0.810161314,0.790668611,0.958369992,0.714598694
5492,C37 H50 O5,3-Benzoyloxy-11-oxo-12-ursen-28-oic acid Esi+12.934005,591.3731,12.934005,0.198464251,0.186540173,0.180325594,0.457924009,0.02616431,0.509646781,0.047519226,-0.149353729,-0.154179282,-0.143596929,-0.357750474,0.112574372,-0.442471261,0.039629943
5493,C41 H72 N O10 P,"PS(13:0/22:4(7Z,10Z,13Z,16Z)) Esi+9.11",768.4834,9.11,0.475543835,0.660805927,0.216254602,0.486842148,0.333014382,0.76065773,0.291236615,0.218662405,0.337596857,0.076775692,0.277225775,0.113189846,0.398970748,0.102410974
5494,C23 H38 N10 O3,C23 H38 N10 O3,502.332,11.558989,1.539937774,1.618754401,1.439010025,1.704838175,1.331723282,1.624125537,1.468167276,1.329456168,1.423773562,1.216937172,1.422824741,1.16428122,1.326698839,1.33123392
5495,C24 H57 N25,C24 H57 N25,695.5002,13.761977,0.045600594,0.112414517,0.106037258,0.158107557,0.136153059,0.056779458,0.019319164,0.171023971,0.261319151,0.063303405,0.108092692,0.243115108,0.24837806,0.12115094
5496,C30 H51 N7,C30 H51 N7,509.4038,9.548992,0.314295307,0.363813335,0.221735948,0.283295639,0.277065343,0.254757954,0.259599389,-0.09834706,-0.115753701,-0.077581243,-0.071237642,-0.156086546,-0.072480803,-0.115023989
5497,C23 H35 N7 O4,Ile Arg Trp Esi+10.972986,481.7875,10.972986,0.723393835,0.381373948,1.205930745,0.652245509,0.860056454,0.596344371,0.841563875,0.356355786,0.217320207,0.522222793,0.361558816,0.348837044,0.316628087,0.381969698
5498,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+8.805021,440.2021,8.805021,0.790397634,0.676798529,0.746015528,0.710629703,0.640467579,0.731351285,0.702511609,0.716887169,0.710146074,0.724929177,0.691988548,0.712895644,0.751247985,0.694733484
5499,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+3.9010007",242.1751,3.9010007,1.319043829,1.339138508,1.495256168,1.261799777,1.581484291,1.481373878,1.325742448,0.545872248,0.568179787,0.519259745,0.543047465,0.561213105,0.644486352,0.482292102
5500,C18 H37 N O2,Sphingosine,299.2819,12.342024,1.051994691,0.791127476,1.195174467,0.957776409,1.013192581,0.819488015,1.084538524,0.642725482,0.542880297,0.761839035,0.637284803,0.658726648,0.577043784,0.685072892
5501,C28 H40 O10,"Desacetyl (7)Khivorinic Acid, Methyl Ester Esi+7.118013",536.2574,7.118013,0.49233119,0.401129016,0.565575439,0.523085531,0.348684415,0.6099193,0.419068361,0.569488727,0.505550593,0.645765799,0.654120189,0.415968713,0.703169881,0.483299561
5502,C49 H93 O14 P,6-Ac-Glc-GP(18:0/20:0) Esi+10.495989,953.6471,10.495989,0.229295419,0.173121349,0.245664018,0.134458659,0.214799622,0.378586282,0.113159343,0.123443177,0.139789538,0.103942255,0.134956737,0.073660559,0.268316067,0.030038287
5503,C17 H37 N O2,C17 Sphinganine Esi+9.652997,287.2825,9.652997,1.636228465,1.782536051,1.743662563,1.75227911,1.876745032,1.856353079,1.729333715,-0.914544466,-0.875191042,-0.961492411,-0.812083327,-1.065003491,-0.853751714,-0.953739793
5504,C42 H66 O16,Medicagenic acid beta-maltoside,826.4419,13.856988,0.553456092,0.612350873,0.44156525,0.843717531,0.286164421,0.66401767,0.418808727,-0.356144996,-0.416884802,-0.283683473,-0.446816253,-0.246198788,-0.409596631,-0.321682757
5505,C19 H46 N11 O5 S,C19 H46 N11 O5 S,540.3371,12.68799,2.408619674,2.427400741,2.390766585,2.512908587,2.396489091,2.424230971,2.434979829,1.390361034,1.431435719,1.341359655,1.409209996,1.358101631,1.418091737,1.372482028
5506,C12 H20 O5,C12 H20 O5 Esi+4.564998,244.1303,4.564998,0.120783602,0.314425289,0.171371557,0.38718364,0.188183252,0.279524172,0.015900159,-0.080409194,-0.267593709,0.142898647,-0.202966028,0.1110637,-0.186037243,-0.0123069
5507,C16 H23 N5 O,Tegaserod Esi+3.6099896,301.1887,3.6099896,1.260846427,1.327022317,1.299413842,0.997998823,1.671330852,1.114116658,1.398465734,0.721918427,0.701716307,0.746019202,0.636435547,0.858886255,0.65537695,0.764820169
5508,C13 H2 Cl3 N O12 S4,C13 H2 Cl3 N O12 S4,596.7527,13.8669615,0.678930295,0.695163671,0.684140209,0.684701754,0.671831419,0.900121364,0.57570166,0.316059499,0.334294264,0.294305746,0.322561616,0.289047877,0.407741245,0.2569489
5509,C19 H45 N19 O,C19 H45 N19 O,555.4022,11.753002,0.607192576,0.670647876,0.477806545,0.653710443,0.449940775,0.774571404,0.498904597,0.307219457,0.393017964,0.204863344,0.356659377,0.206228148,0.42647618,0.230330255
5510,C48 H94 N O16 P,MIPC(d20:0/16:0),971.6208,14.547037,2.062906303,2.041617813,1.865406673,2.137213019,1.874548225,1.92214278,2.075734295,-2.250613266,-2.490542558,-1.96438183,-2.261951325,-2.205533406,-2.159493775,-2.309361359
5511,C16 H2 O20 P S,C16 H2 O20 P S,576.8609,6.859007,0.950159901,0.718574351,1.084123719,0.631905554,1.218855771,0.708017664,0.987566813,0.617367895,0.414419723,0.859481504,0.421708645,0.878251399,0.428645017,0.739044488
5512,C14 H13 N3 O2 P,C14 H13 N3 O2 P,286.0876,4.5620084,0.181224705,0.035906078,0.462815896,0.625737188,0.216414524,0.510619373,0.016116408,0.172770684,0.091826957,0.26933513,0.393054982,-0.151906248,0.390026594,0.032697795
5513,C16 H2 O20 S2,C16 H2 O20 S2,577.8599,11.961982,1.534578131,1.728202748,1.44145946,1.6393819,1.532880541,1.536102803,1.649192899,0.960437224,1.095901393,0.798830848,1.032069159,0.832152911,0.963904931,0.958201466
5514,C26 H34 O7,Hydroxystrobilurin D Esi+13.13898,480.2127,13.13898,1.359789742,1.003644715,1.638777943,1.15493443,1.523164765,1.155974059,1.439617164,1.068575839,0.867293639,1.308701971,0.903626985,1.326073928,0.884199056,1.187450343
5515,C34 H26 N6 O10 S4,C34 H26 N6 O10 S4,806.0589,13.416014,0.568615822,0.665939035,0.218758323,0.64998112,0.253196684,0.46401547,0.470568715,-0.191943221,-0.27384555,-0.094235179,-0.193099872,-0.203231223,-0.148587437,-0.219896292
5516,C29 H57 N11 P,C29 H57 N11 P Esi+15.232964,584.4047,15.232964,0.11556981,0.057607365,0.018820871,0.085035488,0.171429879,0.184641588,0.202852025,0.004383669,0.042855159,-0.041512144,0.109439131,-0.148810995,0.135562101,-0.0801919
5517,C41 H77 N O8 P,"PC(15:0/18:3(9Z,12Z,15Z)) Esi+13.930976",759.57,13.930976,0.13738021,0.183909453,0.082420505,0.161337656,0.010129533,0.117466992,0.155002589,-0.015111836,-0.051977504,0.028868258,0.010282838,-0.067150632,0.10863968,-0.094898999
5518,C50 H83 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) Esi+14.154036",874.5753,14.154036,0.395158678,0.539030078,0.191316634,0.463292416,0.358324399,0.394161989,0.328469944,-0.202710122,-0.322666554,-0.059604204,-0.224708594,-0.191667641,-0.225048618,-0.188307671
5519,C50 H38 O21,Theadibenzotropolone A,996.178,13.541993,0.707320339,0.652442283,0.583783534,0.827275517,0.312921238,0.570792755,0.642361843,-0.275585224,-0.292699265,-0.255168473,-0.309427119,-0.248337162,-0.233583937,-0.302665001
5520,C49 H67 N5 O2 P,C49 H67 N5 O2 P,786.5249,13.548024,0.190683803,0.087743718,0.323145308,0.266569072,0.140261416,0.314603401,0.119722336,0.10534952,0.086869778,0.127395527,0.144134121,0.043085265,0.144838176,0.079889729
5521,C37 H66 N O8 P,"PE(14:0/18:4(6Z,9Z,12Z,15Z))",683.4552,9.597004,0.853805612,0.783378713,0.906005154,0.996223651,0.612296799,0.715099791,0.864360664,-0.441347349,-0.393433109,-0.498508196,-0.45104665,-0.444726956,-0.320585582,-0.519206909
5522,C12 H4 Cl3 N4 O11 S2,C12 H4 Cl3 N4 O11 S2,548.8387,11.490984,1.722262867,1.66493042,1.746958178,1.740249788,1.584587794,1.735397953,1.680929084,1.055681703,1.091751353,1.012651243,1.084432434,0.988617822,1.125118671,1.010913132
5523,C8 H9 N O,4-Acetyl-3-methylpyridine,135.068,0.87199825,0.338763052,0.534137947,0.295416626,0.470775482,0.061048093,0.638660981,0.047035353,-0.129527327,-0.328339013,0.107651526,-0.191995584,-0.047211562,-0.308517079,-0.01412604
5524,C7 H11 O6 P,C7 H11 O6 P,222.0294,3.924992,0.124155567,0.307522648,0.072924912,0.318796634,0.015910426,0.116909461,0.29081913,-0.15090869,-0.331051888,0.063998986,-0.263311087,-0.014710281,-0.002585365,-0.246538202
5525,C24 H32 N4 O4,Phe Phe Lys Esi+8.718012,440.2364,8.718012,1.515172763,1.480342363,1.395407702,1.423744315,1.519083491,1.365266284,1.581113796,1.806340287,1.840714078,1.765332958,1.718905001,1.908394189,1.777597645,1.824871727
5526,C10 H20 N2 O3 S2,Methionyl-Methionine,140.0465,6.3399954,0.505716693,0.303423227,0.787412231,0.46989721,0.584670347,0.534764189,0.470047653,0.181765696,0.088980172,0.292457198,0.177925763,0.191600121,0.177448975,0.184548845
5527,C37 H62 O12,Cyclopassifloside X Esi+13.517028,715.4526,13.517028,0.611627407,0.600943466,0.443241646,0.548139583,0.522473723,0.529125404,0.488747258,-0.387670334,-0.449464253,-0.313951274,-0.311766007,-0.501021873,-0.364193055,-0.402807001
5528,C8 H12 O4,Diethyl fumarate Esi+5.850992,172.0714,5.850992,0.655877341,0.780527637,0.451701319,0.647860536,0.708126997,0.76095059,0.576405945,-0.474207534,-0.521693177,-0.417557995,-0.493337044,-0.468127137,-0.53443399,-0.435377318
5529,C19 H19 N3 O11 S2,Hydroxytenoxicam glucuronide Esi+13.488023,528.0386,13.488023,0.346426344,0.170274836,0.706611344,0.2780445,0.531998603,0.422127841,0.376805408,0.154703665,0.10875285,0.20952218,0.1467822,0.154126108,0.185636159,0.134760346
5530,C24 H44 N O9 P,"PS(18:2(9Z,12Z)/0:0) Esi+8.994004",521.2736,8.994004,0.555007252,0.481100621,0.640912067,0.488900674,0.615017378,0.538821574,0.572330438,0.458318161,0.477797498,0.435079653,0.457198269,0.461821313,0.525052989,0.415291758
5531,C50 H78 Cl N2 S,C50 H78 Cl N2 S,773.5466,14.235037,0.275637045,0.268168693,0.273328979,0.276845787,0.326662635,0.341513854,0.21989005,-0.188110492,-0.152944277,-0.23006317,-0.142442072,-0.270119047,-0.246136152,-0.150699211
5532,C31 H56 N2 O8,C31 H56 N2 O8,584.404,14.829027,0.615217373,0.624839192,0.605442987,0.571541447,0.616369579,0.257806573,0.791900693,-0.27441248,-0.299950338,-0.243946264,-0.244191832,-0.296579892,-0.115172312,-0.377080482
5533,C32 H29 N4 P S,C32 H29 N4 P S Esi+14.700979,532.1857,14.700979,0.106333867,0.016704564,0.33026875,0.206037645,0.016379451,0.245726481,0.102203787,0.137647825,-0.011835344,0.315978623,0.12436494,0.037655843,0.166016992,0.119357178
5534,C46 H90 N O16 P,MIPC(d18:0/16:0),942.5901,12.974031,1.218108145,0.998055395,1.359696218,1.130949167,1.159144886,1.181852599,1.160259393,0.876791213,0.808544399,0.958208465,0.883286478,0.845767946,0.969053336,0.817306423
5535,C25 H40 N4 O5,C25 H40 N4 O5,476.3003,5.0959935,0.730364898,0.813747034,0.504050637,1.068327335,0.252975876,1.068873597,0.442188626,0.508458483,0.60837841,0.389255762,0.661191671,0.278959713,0.773850342,0.337350573
5536,C28 H60 Cl N6 P,C28 H60 Cl N6 P,546.4249,15.409969,0.835519395,0.861927484,0.558040754,0.693658934,0.701381324,0.669582683,0.731652285,-0.565837856,-0.681370306,-0.42800967,-0.467350152,-0.69172537,-0.448953663,-0.641197402
5537,C33 H65 Cl N4 O5,C33 H65 Cl N4 O5,632.458,14.447017,0.392470795,0.421131621,0.335342407,0.594077922,0.186214863,0.515892289,0.316404782,0.400506053,0.481505555,0.303875069,0.571840883,0.135793621,0.557801022,0.299092192
5538,C32 H59 O10,C32 H59 O10,603.4113,13.770016,2.000068826,2.228127703,1.685615292,1.935327812,2.047442388,2.055992193,1.972213082,2.208344108,2.549773555,1.801024768,2.236665632,2.146027461,2.344670927,2.120449185
5539,C34 H52 O10,Physagulin D,620.3543,14.458986,0.368727966,0.089892361,0.838786515,0.347866613,0.461715545,0.444580759,0.404740206,0.312437108,0.147961331,0.508653825,0.310720832,0.298946045,0.342276463,0.293198577
5540,C9 H Cl3 O9 P S5,C9 H Cl3 O9 P S5,548.7048,10.649,1.08655607,0.988752045,1.141905152,1.309509979,0.819554232,1.015799677,1.017971897,-0.695914218,-0.659799799,-0.738998086,-0.666626055,-0.75739837,-0.532953738,-0.800980844
5541,C22 H36 N6 P S,C22 H36 N6 P S,447.2514,9.875,1.292026915,1.146996389,1.417581792,1.179282484,1.284198363,1.125398175,1.344092677,1.763195486,1.650147244,1.898060055,1.732927761,1.793081835,1.650335856,1.835960247
5542,C27 H11 Cl2 O4 S4,C27 H11 Cl2 O4 S4,596.8915,11.878986,1.511070136,1.39592971,1.318435207,1.384475831,1.279429371,1.383966878,1.368532865,1.528440804,1.61013107,1.430985751,1.49575584,1.546162296,1.607212907,1.477653528
5543,C10 H22 O5,C10 H22 O5 Esi+4.6429977,222.1469,4.6429977,0.019514502,0.033948556,0.091439357,0.133620419,0.094173018,0.193175455,0.084207917,0.009753395,-0.044551452,0.074538126,0.134381198,-0.162580096,0.201459077,-0.113846321
5544,C19 H36 O5,"1,2-Dioctanoyl-sn-glycerol",366.2378,12.719975,1.935305132,1.857820191,2.01778968,1.943337826,1.991119657,1.761842688,2.104227525,1.207258487,1.14406219,1.282650562,1.170370624,1.265479853,1.127801136,1.258487569
5545,C25 H58 N23 O P,C25 H58 N23 O P,727.4941,14.075985,0.98422687,0.790980775,1.173548516,0.891296876,0.959835082,0.967194045,0.964938205,0.980799455,0.961197186,1.004184617,0.993779276,0.950608504,1.098375003,0.904994167
5546,C27 H42 N4 O4,Hovenine A Esi+12.519022,486.3233,12.519022,0.980935915,0.88612575,1.027485636,1.018302117,0.823094587,0.7356429,1.07097371,0.96800927,0.987815888,0.944380323,1.073497973,0.797145165,0.847396829,1.045772555
5547,C32 H48 N15,C32 H48 N15,641.4389,12.706031,0.143017144,0.180605089,0.148186932,0.251252758,0.108432184,0.383886283,0.038646634,0.257523252,0.299865985,0.207009114,0.353626429,0.083698228,0.547390901,0.070634899
5548,C11 H16 N6 O4,2-Methylaminoadenosine Esi+8.328002,296.1236,8.328002,0.051669887,0.001742093,0.019866293,0.101243549,0.203944511,0.137028391,0.164129595,0.034362112,0.059445619,0.004437927,-0.077401902,0.186228766,-0.07290118,0.103518708
5549,C22 H N O19 P,C22 H N O19 P,613.887,12.912032,1.971450463,2.053558574,1.757528435,1.937225325,1.919811448,1.934187601,1.94931966,1.062131333,1.181555221,0.91966073,1.080893103,1.023629675,1.094093572,1.0415241
5550,C39 H67 O7 P,"PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+7.600983",677.4555,7.600983,0.533848124,0.371461787,0.777620853,0.633917568,0.426771192,0.304825772,0.623922297,-0.269292507,-0.159756324,-0.399967252,-0.260853942,-0.300412561,-0.122502324,-0.363933546
5551,C17 H44 Cl2 N12 O,C17 H44 Cl2 N12 O,502.3328,11.559004,1.067561961,1.031913544,0.981077638,1.14134178,0.85861955,1.003295933,1.008957287,1.283172695,1.320504171,1.238636899,1.353529059,1.148368897,1.251558453,1.303555561
5552,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+15.233953",280.2401,15.233953,2.283895217,2.378089696,2.140867162,2.373525109,2.185192498,2.435853417,2.202183533,-1.766698003,-1.992254845,-1.497612646,-1.817664995,-1.696298704,-1.819869098,-1.732416638
5553,C5 H11 N O2 S,C5 H11 N O2 S,149.0548,0.87699914,0.752786199,0.948935332,0.402302144,0.859772855,0.671872534,0.906943192,0.551158594,-0.373167407,-0.513751277,-0.205453316,-0.362448746,-0.398953127,-0.452537666,-0.321994477
5554,C41 H70 O12,Chikusetsusaponin Ia Esi+15.8979645,771.5137,15.8979645,0.174784336,0.414768,0.163422482,0.341977137,0.08957769,0.54698925,0.070167585,-0.230977439,-0.537809656,0.135068014,-0.484169378,0.158359476,-0.676730527,0.056416
5555,C6 H14 N4 O2,Amino acid(Arg-),174.1111,0.9080015,0.205523557,0.152504677,0.254164626,0.267092503,0.61236222,0.176431691,0.463866973,0.164853291,0.113234714,0.226433348,-0.010291098,0.383194782,0.016830515,0.260289028
5556,C29 H48 O6,Homodolicholide Esi+13.580018,514.327,13.580018,0.201523384,0.643878586,0.458081781,0.256650743,0.032408709,0.371511248,0.038245173,-0.067287276,-0.347243371,0.266695434,-0.124910429,0.028641164,-0.230460918,0.037916782
5557,C34 H56 O9,Torvoside G Esi+13.679988,625.429,13.679988,1.265740346,1.216009646,1.223386149,1.235948757,1.147356942,1.122890508,1.288409527,0.807978002,0.896386378,0.702508361,0.876545358,0.695496078,0.849889444,0.780956152
5558,C21 H51 N20 O4,C21 H51 N20 O4 Esi+13.599041,647.4413,13.599041,0.646522472,0.853633127,0.387791561,0.6563515,0.509291936,0.674092264,0.658725298,0.609303723,0.802446937,0.378887256,0.70368607,0.45813752,0.666391443,0.572497166
5559,C15 H28 N6 O6,Lys Asn Gln,388.2084,5.918987,0.649889093,0.338550959,0.966355272,0.558513756,0.749214698,0.57071096,0.649691154,-0.182430466,-0.068080013,-0.318848551,-0.127276336,-0.271583214,-0.105448094,-0.232063838
5560,C16 H19 Cl N13 O7 P S,C16 H19 Cl N13 O7 P S,602.0843,13.167983,0.167727878,0.08643425,0.380413187,0.245098933,0.258003991,0.343825719,0.122155711,0.110810731,0.079055942,0.148693638,0.125687931,0.075963196,0.156736733,0.081200546
5561,C33 H72 Cl N12 O3 P S,C33 H72 Cl N12 O3 P S,782.4993,10.625,1.024507736,0.956904107,0.993543344,1.023806932,0.850210733,1.017490219,0.952167738,0.560617758,0.59442828,0.520282399,0.612911272,0.456700347,0.651158927,0.502242531
5562,C16 H24 N2 O15 P2,dTDP-4-oxo-6-deoxy-D-allose Esi+10.993985,568.0515,10.993985,0.860515474,0.841069414,0.814724339,1.076242571,0.51994841,0.722598301,0.864307883,-0.42450821,-0.414212436,-0.436790887,-0.445644075,-0.419680097,-0.301443842,-0.503852342
5563,C20 H34,"3Z,6Z,9Z,12Z-eicosatetraene",296.2458,7.910008,1.203264455,1.088891437,1.236270354,1.135036478,1.266867161,1.115534553,1.219482973,-1.187215721,-1.276807049,-1.080334838,-1.243629282,-1.149808238,-1.255819896,-1.142984081
5564,C24 H44 O7,2-Stearyl citrate Esi+13.863023,466.2907,13.863023,1.463605171,1.243881079,1.764244778,1.273135211,1.718875741,1.092457803,1.743207373,1.392782869,1.171338403,1.656962232,1.193457115,1.655555823,1.047459776,1.61542539
5565,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+13.75,594.3714,13.75,1.514832235,1.766259563,0.951795313,1.498603,1.456577497,1.69124854,1.375749726,-0.799678782,-1.05262473,-0.497918703,-0.763091177,-0.844690038,-0.894728909,-0.738396463
5566,C5 H14 N O,Choline Esi+12.568009,103.0997,12.568009,1.655631676,1.6257497,1.598707445,1.590799343,1.610538484,1.517347425,1.638330711,-2.97881638,-2.963652195,-2.996906987,-3.136431392,-2.77480869,-3.039798361,-2.939499051
5567,C36 H69 N O8 P,"PC(10:0/18:2(9Z,12Z))",673.4609,9.524008,0.461389868,0.404114304,0.504731173,0.409881455,0.474784051,0.635791123,0.346559619,0.180374316,0.205513692,0.150383482,0.176339337,0.170593196,0.298966714,0.103913428
5568,C45 H79 N22 O P,C45 H79 N22 O P,974.6528,12.625982,0.03156576,0.018019148,0.083243669,0.074292997,0.077220615,0.066689675,0.069318963,0.011876664,0.034752156,-0.015413396,0.033714098,-0.045290897,0.071699685,-0.026693442
5569,C12 H18 N2 O3 S,Tolbutamide Esi+5.958007,270.1077,5.958007,0.357065712,0.181058847,0.637577281,0.258735998,0.60923442,0.274261947,0.473360925,0.132570818,0.05745932,0.222177516,0.117728031,0.160652039,0.09012046,0.159940127
5570,C26 H44 O8,Goshonoside F2 Esi+13.584976,501.3307,13.584976,0.685276765,0.423573725,1.045577992,0.681461719,0.710776175,0.629114619,0.727625186,0.633947314,0.440516627,0.86470673,0.6118214,0.667833796,0.566741189,0.677277578
5571,C26 H46 O4,C26 H46 O4 Esi+14.871023,422.3401,14.871023,1.467007579,1.671430531,1.18446657,1.529720281,1.383566093,1.589316455,1.379666605,-1.037742468,-1.18384875,-0.863440236,-1.027632172,-1.051299903,-1.083125725,-1.00848221
5572,C46 H82 N O10 P,"PS(18:0/22:4(7Z,10Z,13Z,16Z)) Esi+14.457017",839.5667,14.457017,0.95968671,1.128781922,0.630312474,0.970947791,0.883477017,0.866870272,0.94144584,-0.534529564,-0.661955283,-0.382512917,-0.502455448,-0.58542109,-0.473146769,-0.574105314
5573,C24 H28 O7,Heteroflavanone B,450.1658,9.729003,0.484838556,0.453735417,0.503886232,0.576308593,0.359384239,0.369088415,0.564999694,0.298159378,0.327655454,0.262971077,0.359929908,0.194664767,0.271836968,0.315130406
5574,C18 H16 N3 O25 P,C18 H16 N3 O25 P Esi+10.791993,704.9799,10.791993,0.854373012,0.820977804,0.816710306,1.056516572,0.520436179,0.708176163,0.835554735,-0.475935312,-0.472745394,-0.479740829,-0.53672729,-0.41824694,-0.368703271,-0.54507176
5575,C13 H18 O6,"Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+5.616001",270.108,5.616001,0.857889189,1.078826779,0.492880688,0.819090882,0.820128846,1.032878661,0.73332142,-0.208436933,-0.301485457,-0.097431677,-0.209416498,-0.198888064,-0.263267381,-0.173085724
5576,C23 H44 N O7 P,"PE(18:2(9Z,12Z)/0:0) Esi+11.780024",477.2865,11.780024,0.324943615,0.194821005,0.634956186,0.190334088,0.578146404,0.055113783,0.53708602,0.186083419,0.057546666,0.339425509,0.128886516,0.284669983,0.027052479,0.288616525
5577,C18 H34 N7 O2,C18 H34 N7 O2,380.2771,9.444988,0.482823858,0.37485028,0.548424039,0.601475104,0.316321211,0.32788208,0.482061434,-0.33173495,-0.243811997,-0.43662549,-0.366348211,-0.315167723,-0.165436089,-0.438953952
5578,C14 H20 N6 O4,C14 H20 N6 O4,336.1548,9.633031,0.180443358,0.032604475,0.367668013,0.24084999,0.031619,0.192569662,0.133778507,0.133187,0.022900984,0.264756281,0.230787732,0.003587601,0.166124478,0.111950994
5579,C29 H45 N O3,Ecalcidene Esi+11.093995,455.3441,11.093995,0.181510545,0.098906109,0.3538064,0.100395921,0.249753452,0.233390767,0.160801944,0.108394813,0.026278557,0.206358066,0.071659491,0.134792136,0.141051367,0.08733993
5580,C14 O17 P S2,C14 O17 P S2,534.8299,11.101005,0.512259857,0.828544075,0.184228638,0.577017316,0.301922613,0.613383301,0.355844539,-0.192106509,-0.383351595,0.036045524,-0.218786193,-0.148835964,-0.275324712,-0.138452667
5581,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+10.129988",431.252,10.129988,0.951346655,0.926724315,0.807721496,1.051147973,0.736318208,0.680637858,1.014394587,-0.78089504,-0.879784768,-0.662921329,-0.791593798,-0.776617562,-0.603678138,-0.895153305
5582,C32 H38 Cl2 O2,C32 H38 Cl2 O2,524.2928,12.115985,1.352252708,1.155638482,1.586601977,1.250404722,1.319374158,1.319986653,1.33856667,2.374052568,2.067806087,2.739399247,2.508903362,2.198243475,2.305834285,2.418035408
5583,C25 H46 N O4,Linoleyl carnitine Esi+12.228023,423.3345,12.228023,0.640404902,0.643084819,0.561377679,0.649345479,0.64694081,0.551707999,0.68189454,0.53947723,0.656855488,0.399447027,0.591095563,0.502065497,0.555720113,0.529004844
5584,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+16.227036",576.4742,16.227036,2.086259265,2.225813986,1.882902763,2.162932998,2.016066346,2.16252046,2.034535929,-1.938134627,-2.231118865,-1.588609571,-1.95033912,-1.921692304,-1.937495003,-1.938547016
5585,C29 H37 N3 O6,Calcimycin Esi+11.333007,540.3009,11.333007,0.919562394,1.436123242,0.30169449,1.297111194,0.519437694,1.460012711,0.619462552,-1.136333536,-1.601569144,-0.581315617,-1.42991407,-0.701601643,-1.66044561,-0.798419172
5586,C41 H80 N16 O12,C41 H80 N16 O12,988.6147,9.201013,0.35679879,0.50858774,0.197917522,0.327998535,0.321549836,0.661827588,0.177404525,0.195324684,0.290648819,0.081604664,0.241418911,0.10713992,0.394187242,0.067110667
5587,C21 H43 N8 O4,C21 H43 N8 O4,471.34,7.719979,0.751034709,0.609725146,0.963266674,0.836684657,0.623154453,0.589767127,0.787087495,-0.402532255,-0.297679064,-0.527620271,-0.380462726,-0.455426651,-0.265717968,-0.490741466
5588,C25 H36 O2 S,CAY10412,422.2275,10.105979,1.517253999,1.457655259,1.605393963,1.417996449,1.684769832,1.582891809,1.505930742,1.328695249,1.247600571,1.425439778,1.278153619,1.385579757,1.350001598,1.314958261
5589,C19 H50 N23 O2,C19 H50 N23 O2,632.4502,10.120018,0.58183999,0.516083793,0.571530418,0.790188659,0.304598296,0.542894728,0.501592546,-0.327890532,-0.295613198,-0.366396825,-0.377679439,-0.285921658,-0.24493945,-0.381372151
5590,C10 H18 N5 O20 P5,Guanosine 3'-diphosphate 5'-triphosphate Esi+10.371996,699.9486,10.371996,0.515217152,0.607443967,0.376869858,0.435088067,0.498226661,0.666684658,0.406898944,0.254370315,0.331656341,0.162169442,0.259601173,0.225874584,0.367488726,0.181438708
5591,C23 H6 O21 P,C23 H6 O21 P,648.9151,9.987035,0.469889578,0.577689109,0.323815834,0.417090279,0.479686988,0.532812127,0.384322775,0.203675981,0.291857519,0.098476952,0.218332156,0.19220865,0.32335196,0.126516468
5592,C27 H56 N3 O P S2,C27 H56 N3 O P S2 Esi+11.968995,533.3616,11.968995,0.695512308,0.572634787,0.924239839,0.674443275,0.661608627,0.732720218,0.712320607,0.29214909,0.261789334,0.328367747,0.29986757,0.264029037,0.340237694,0.261144595
5593,C35 H78 N29 O2 S,C35 H78 N29 O2 S,968.6552,14.273984,1.17309809,1.03561041,1.296358215,1.061288436,1.204207312,1.160326547,1.161379093,0.927753282,0.891126726,0.97144812,0.926113713,0.899314852,1.001578708,0.880155309
5594,C32 H56 O5,C32 H56 O5 Esi+16.157972,520.4134,16.157972,1.180744329,1.303018935,0.879858074,1.208000767,1.051815481,1.060174948,1.174824271,-0.878429635,-1.092538003,-0.623002107,-0.792431136,-1.010025402,-0.755319418,-0.957803328
5595,C22 H10 N2 O19 P,C22 H10 N2 O19 P,636.9612,14.464042,0.631776832,0.670455892,0.509493314,0.80211288,0.344324953,0.531772837,0.646190852,-0.272629033,-0.310362022,-0.22761424,-0.292245605,-0.257745843,-0.204444337,-0.316590219
5596,C12 H2 O22 P,C12 H2 O22 P Esi+12.117987,528.876,12.117987,1.088515841,0.998965507,1.069028237,0.917966252,1.074640238,0.875956817,1.155436213,0.725424751,0.717508981,0.734868126,0.706622051,0.731718359,0.715289081,0.731959591
5597,<none>,<none> Esi+12.94997 :1,567.7272,12.94997,0.497682307,0.595733054,0.170468203,0.651295091,0.097982542,0.457797029,0.382119575,-0.135089443,-0.203881432,-0.053021807,-0.163349561,-0.106847025,-0.131569197,-0.137359075
5598,C27 H48 O8,"(25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol Esi+13.918964",522.3164,13.918964,0.594069102,0.633828891,0.496452493,0.549569459,0.527777638,0.636665979,0.449006269,-0.361156218,-0.39769027,-0.317571734,-0.299260851,-0.441107742,-0.389739324,-0.342727636
5599,C28 H40 O4,Bolegrevilol Esi+8.145997,457.3243,8.145997,0.501289537,0.482852883,0.416157882,0.610398874,0.215800876,0.805710895,0.24419269,-0.515781837,-0.493696108,-0.542129725,-0.691157889,-0.268406816,-0.749413764,-0.365150727
5600,C24 H5 N4 O20,C24 H5 N4 O20,668.9492,13.510988,1.448940264,1.491734177,1.587072288,1.464779989,1.559619742,1.540919055,1.549156972,0.754395009,0.781823995,0.72167271,0.76276322,0.728294086,0.787169882,0.733263841
5601,C29 H50 P S,C29 H50 P S,461.3448,14,0.081067061,0.19609271,0.211982206,0.024977434,0.067233784,0.029981331,0.037089936,0.013542055,-0.053080501,0.093021596,0.054820161,-0.048486561,0.042607693,-0.005197633
5602,C46 H53 N3 P,C46 H53 N3 P,678.3962,13.613022,0.996945231,0.793233767,1.309157078,1.02335691,1.011314885,0.988971245,0.998744263,0.868324321,0.71114443,1.055837174,0.889549848,0.855192019,0.814399002,0.903091962
5603,C43 H72 N3 O4 P S,C43 H72 N3 O4 P S,757.4975,15.510987,0.555953492,0.601849995,0.41039687,0.583834824,0.370796491,0.419814722,0.501823568,-0.463272072,-0.624624244,-0.270781761,-0.439138716,-0.499699447,-0.354212605,-0.533586729
5604,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+4.7700086",172.1097,4.7700086,0.376927164,0.507931781,0.139491935,0.460545428,0.275422202,0.339188438,0.354787662,-0.212407993,-0.333451531,-0.068005176,-0.240707448,-0.170681282,-0.222708232,-0.205767049
5605,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+14.655025",706.4959,14.655025,0.095458791,0.047989362,0.204692434,0.035807132,0.176344374,0.024081347,0.157794402,0.025979207,0.001578503,0.055088818,0.063634092,-0.011279059,0.042654972,0.015227727
5606,C10 H16 N2 O3,Butabarbital,212.1161,0.8719986,1.383615573,1.269290381,1.578034372,1.267154712,1.567805069,1.133544701,1.55516691,1.070329771,0.912519985,1.258594077,0.946672332,1.223075561,0.891439039,1.185667216
5607,<none>,<none> Esi+11.305991,384.7582,11.305991,1.501717068,1.505153128,1.498751274,1.480999102,1.542630194,1.467659714,1.557577873,0.833798252,0.918094669,0.733234105,0.838764659,0.798407101,0.864453681,0.814033566
5608,C38 H63 N P S,C38 H63 N P S,596.4422,14.999019,1.333135738,1.547234232,1.114413674,1.431951287,1.272631851,1.316690681,1.334189421,-1.213748952,-1.44075568,-0.942933907,-1.308083,-1.104510947,-1.11621166,-1.276634837
5609,C22 H36 O5,Dihomo-PGI2,380.2529,11.074973,0.498362257,0.520132367,0.39021536,0.554085624,0.354412528,0.483130149,0.428089333,-0.313806881,-0.375647597,-0.240031993,-0.381142121,-0.227481554,-0.254499549,-0.352044504
5610,C16 H28 O5,Tetranor-PGF1alpha Esi+9.510988,300.1932,9.510988,0.334126483,0.200974806,0.404550773,0.188332023,0.399092041,0.272186605,0.314924049,0.212040898,0.148559936,0.287772573,0.175102188,0.251300636,0.20649627,0.215615725
5611,C19 H49 Cl N15 P,C19 H49 Cl N15 P,553.3739,11.060036,0.065220569,0.013306839,0.10311777,0.186741712,0.073028807,0.194930916,0.134975569,-0.025476338,0.009960533,-0.067751903,-0.041055345,-0.026506326,0.138355144,-0.13110453
5612,C19 H40 O4,C19 H40 O4 Esi+14.340032,332.2926,14.340032,0.955360293,0.746230239,1.129955764,1.04477717,0.922094429,0.874560202,1.041707983,0.600418336,0.497464694,0.723240224,0.617124957,0.543974799,0.548557317,0.633855046
5613,C36 H77 Cl3 N7 O P,C36 H77 Cl3 N7 O P,759.5163,14.792985,1.196290608,1.186797397,1.020893064,1.073673458,1.164411546,1.088668302,1.101480137,-0.835976425,-0.883265204,-0.779561742,-0.720349081,-0.975041833,-0.722106871,-0.909392322
5614,C23 H43 N5 O12,N3'-Acetylapramycin,581.2878,12.103022,1.466794362,1.586177576,1.321041271,1.5455826,1.334994589,1.396983166,1.464711234,-1.324302621,-1.415986473,-1.214925394,-1.439213899,-1.17044883,-1.38227092,-1.286928324
5615,C27 H50 O9,3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid Esi+10.996009,518.3425,10.996009,1.214575717,1.276705519,1.145904154,1.241134259,1.073409573,1.316640263,1.162224516,0.649405731,0.736883307,0.545046518,0.709444252,0.533362639,0.767996625,0.572945813
5616,C34 H44 O9,Salannin Esi+12.856995,613.3303,12.856995,2.592771056,2.451184193,2.740765508,2.604159086,2.658114152,2.481415727,2.671198385,2.949540221,2.785917701,3.144739018,2.854147988,3.071783944,2.794363889,3.04958812
5617,C14 H28 O6,(S)-3-Octanol glucoside,292.1874,7.5009847,1.189857414,1.265218914,1.004175864,1.085012622,1.38245014,0.849192101,1.390419369,0.37494144,0.427197305,0.31260111,0.340436572,0.420678251,0.331009056,0.403266267
5618,C18 H37 N5 O8,Dibekacin Esi+10.976005,468.2877,10.976005,0.462884798,0.794863922,0.083466942,0.594925936,0.21175173,0.595818391,0.307637512,-0.199758395,-0.375606826,0.010025698,-0.249140912,-0.123542847,-0.275762294,-0.150755881
5619,C10 H18 O5,5-hydroxysebacate Esi+5.665003,218.1151,5.665003,1.12934712,1.097856508,1.189275163,1.000863689,1.195798452,1.140864017,1.101784345,0.903221496,0.901668619,0.905074051,0.902698235,0.890372821,0.989060536,0.847877904
5620,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+8.491974,260.103,8.491974,0.318481797,0.638967401,0.000296082,0.492823729,0.101012426,0.868547237,0.068568329,-0.259583251,-0.382867959,-0.112506758,-0.41396073,-0.040731771,-0.532150582,-0.083849051
5621,C42 H58 N2 O,Staphidine,606.45,15.204039,0.782012902,0.80861468,0.61113604,0.683447386,0.752333748,0.464250528,0.806315991,-0.433398396,-0.552008771,-0.2918983,-0.362007651,-0.498166653,-0.304053317,-0.516791934
5622,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.7619925,312.1548,7.7619925,0.322132223,0.293100683,0.311793652,0.276239189,0.309298509,0.525067324,0.158603791,-0.180539265,-0.173929155,-0.188425011,-0.147416631,-0.225079867,-0.326603354,-0.086366366
5623,C24 H27 N13 O19 P S,C24 H27 N13 O19 P S Esi+13.945014,864.1001,13.945014,0.341801906,0.432258171,0.007978523,0.367183465,0.058619932,0.160798307,0.290674468,-0.072295393,-0.140877897,0.00952233,-0.071114225,-0.094491083,-0.012942777,-0.110562212
5624,C42 H77 N O8 P,"PC(14:0/20:4(5Z,8Z,11Z,14Z))[U] Esi+14.333986",753.5324,14.333986,0.779694984,0.904462313,0.470428021,0.793995504,0.490843456,0.659467615,0.762749443,-0.350695869,-0.422689149,-0.264809148,-0.28260956,-0.429527063,-0.287833766,-0.391225382
5625,C26 H46 O6,27-Norcholestanehexol Esi+15.188977,454.327,15.188977,0.845459921,0.922818991,0.611395316,0.891362128,0.710451556,1.033605867,0.649420269,-0.969362995,-1.047940806,-0.875621045,-1.078213948,-0.860106324,-1.243931766,-0.792338393
5626,C48 H79 N5 O12,C48 H79 N5 O12,917.5801,14.197017,1.427920834,1.51574301,1.193625329,1.381183022,1.446967598,1.289015043,1.476803734,-1.44496608,-1.671137722,-1.17514728,-1.334643255,-1.570857948,-1.315266257,-1.528588335
5627,C22 H32 O5,9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate,376.2217,14.708986,0.080721918,0.383874798,0.503406285,0.05925939,0.023189552,0.062090317,0.003923915,-0.033856028,-0.192044322,0.154859833,-9.05E-05,-0.074440632,-0.020068682,-0.042745237
5628,C13 H18 O6,"Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+5.616001 :1",270.1077,5.616001,0.654379377,0.733365309,0.350033039,0.766109495,0.509473867,0.782426952,0.451367944,-0.126720502,-0.194310979,-0.046086248,-0.160287476,-0.09446738,-0.1737242,-0.096415485
5629,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+11.135008,508.2647,11.135008,2.131382099,1.97863354,2.271320247,2.095245516,2.17437816,2.011295122,2.196003529,2.68808194,2.489805449,2.924622316,2.618536979,2.765285208,2.631631954,2.724477326
5630,<none>,<none> Esi+14.334976,849.0945,14.334976,0.430824831,0.455629165,0.279464469,0.517539132,0.236302937,0.274899031,0.44446315,-0.177058463,-0.1833231,-0.169584862,-0.140195235,-0.245454575,-0.077084218,-0.241515542
5631,C14 H24 O4,Monomenthyl succinate Esi+10.025017,239.1414,10.025017,0.958461811,1.016580865,0.753586529,0.890427476,0.966354618,0.795549766,0.993777954,-0.757661021,-0.854906043,-0.641649415,-0.678573294,-0.842837731,-0.718773666,-0.782733131
5632,C14 H27 N5 O5 S,Gln Lys Cys,394.1963,9.430015,0.58831934,0.384597349,0.707595517,0.346393568,0.692490495,0.491639167,0.56100148,0.334127766,0.254332334,0.429322316,0.25366526,0.429105016,0.311586547,0.34866092
5633,C32 H60 N O10 P,PS(14:1(9Z)/12:0) Esi+9.489012,666.4134,9.489012,0.705988575,0.967961329,0.281772032,0.754229286,0.436286269,0.899985529,0.482280974,0.51630916,0.795748883,0.182942473,0.610786595,0.353887275,0.781890525,0.34507907
5634,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+5.8489995,272.1618,5.8489995,0.794220193,1.173850627,0.40894835,0.883766569,0.667277015,0.681894266,0.847619781,0.798331075,1.0002561,0.557438064,0.830482912,0.734055745,0.675155604,0.87774684
5635,C21 H38 O6,Cryptomeridiol 11-rhamnoside,386.2662,13.504959,0.238053935,0.309562104,0.148151997,0.306655652,0.167312725,0.266869928,0.270174977,0.093594303,0.139553448,0.03876585,0.102711638,0.055869044,0.085699986,0.098684061
5636,C36 H79 Cl N14 O P S,C36 H79 Cl N14 O P S,821.5701,10.574974,0.351091586,0.275733268,0.463322782,0.319751161,0.348049707,0.466714956,0.302857403,0.186719923,0.189629229,0.183249173,0.205972809,0.130634651,0.288006835,0.12141652
5637,C28 H48 O5,2-Deoxybrassinolide Esi+14.438979,464.3549,14.438979,0.887454842,0.912110504,0.602374304,0.807733493,0.864461827,0.642604793,0.86040262,-0.688485699,-0.849703723,-0.496155424,-0.581908271,-0.848364967,-0.49219864,-0.815039197
5638,C15 H21 N3 O5,Tyr Ala Ala Esi+10.471997,322.1392,10.471997,0.156623051,0.330065124,0.190203086,0.15099908,0.004588082,0.037157784,0.101633297,-0.073543625,-0.20688999,0.08553625,-0.089431729,-0.019433149,-0.072953824,-0.073923891
5639,C14 H22 O4,C14 H22 O4 Esi+7.253019,252.1351,7.253019,0.6175147,0.488003953,0.699956944,0.643361362,0.525221168,0.708239535,0.485897422,0.351368691,0.314883207,0.394895234,0.411032174,0.266397603,0.494997491,0.258765912
5640,C27 H48 N7,C27 H48 N7,470.3958,15.343995,1.724087583,1.92910269,1.531114642,1.853705529,1.650869063,1.900358485,1.654476425,-1.296666784,-1.464681584,-1.096228075,-1.327201699,-1.259607474,-1.390582953,-1.23611557
5641,C28 H57 O9 P,PG(22:0/0:0) Esi+11.399986,568.3739,11.399986,1.554267568,1.600066657,1.421807811,1.523459067,1.398496999,1.484048812,1.544519615,1.330991643,1.418061487,1.227118845,1.35770625,1.271406827,1.370926363,1.305244257
5642,C21 H14 O27,C21 H14 O27,697.9721,10.368,1.031165356,0.94225112,1.054924585,1.160108321,0.774536871,0.775798086,1.067962701,-0.520899739,-0.483174877,-0.565904838,-0.530509813,-0.525016101,-0.348931523,-0.631773984
5643,C20 H32 O8,Cincassiol B Esi+10.730978,417.2361,10.730978,0.969456103,1.139444836,0.680257585,1.077685595,0.753448097,0.823678477,0.925897157,-0.728400417,-0.906201406,-0.516286956,-0.760861022,-0.708434683,-0.662543334,-0.770860905
5644,C39 H71 N O8 P,"PC(13:0/18:4(6Z,9Z,12Z,15Z)) Esi+12.029032",711.487,12.029032,0.471092764,0.410367962,0.531928173,0.528470329,0.329102315,0.525344774,0.472759196,0.307677471,0.297937485,0.319297103,0.366236342,0.201655884,0.368756814,0.268297368
5645,<none>,<none> Esi+12.256024 :1,807.0485,12.256024,0.294723636,0.17497054,0.483055853,0.262321683,0.375906977,0.36926878,0.272885487,0.187966863,0.156715606,0.225249064,0.202854186,0.143888514,0.246656424,0.15012754
5646,C14 H20 N4 O9 P S3,C14 H20 N4 O9 P S3,515.0154,13.556958,1.807218002,1.78423362,1.882244293,1.818153045,1.836133311,1.829661813,1.83024803,1.05262715,1.081451033,1.018240764,1.061713767,1.027571124,1.068560751,1.042354171
5647,C14 H22 N6 O5,Valganciclovir Esi+8.082005,354.1651,8.082005,0.996966926,0.857051157,1.154469705,0.858424215,1.156053076,0.844328723,1.095950559,0.947869933,0.765015597,1.166011948,0.817390534,1.125408867,0.83215959,1.022472654
5648,C26 H6 N4 O16 P,C26 H6 N4 O16 P,660.9506,14.333986,1.629477195,1.502955407,1.743157896,1.529735858,1.622226913,1.65274723,1.609722896,0.986673268,0.950443319,1.029894962,0.989779761,0.965664386,1.063992053,0.936822999
5649,C21 H41 N8 O4,C21 H41 N8 O4,469.325,10.567001,0.635740804,0.590201879,0.626212305,0.725329455,0.486291678,0.520370957,0.659998942,-0.664467084,-0.603177168,-0.737584879,-0.588659745,-0.823128776,-0.544967774,-0.741512692
5650,C37 H80 N26 P,C37 H80 N26 P,919.6798,14.440975,0.622524021,0.673699758,0.415900693,0.735376173,0.360126047,0.440106444,0.589953894,-0.352045822,-0.38666687,-0.31074352,-0.351813218,-0.370202331,-0.22490973,-0.434015145
5651,C43 H83 O12 P,PI(P-20:0/14:0) Esi+14.268013,822.5627,14.268013,0.374187741,0.312622019,0.54892455,0.490130732,0.261364258,0.548524774,0.335068607,0.296164577,0.298492197,0.293387767,0.366021867,0.17655641,0.41816639,0.217505514
5652,C19 H28 O3,"10-Acetoxy-8-heptadecene-4,6-diyn-3-ol Esi+5.844982",304.2035,5.844982,0.463708063,0.417816291,0.442107937,0.16804696,0.811059592,0.182884375,0.639577755,0.391451369,0.443526019,0.329327226,0.152215657,0.708327929,0.183592521,0.525465627
5653,C5 H14 N O,Choline Esi+12.105974,103.1,12.105974,1.130273184,1.002495487,1.232760204,1.118239808,1.009924863,0.956263327,1.147074061,-1.18809685,-1.157731732,-1.224321904,-1.363544016,-0.966423261,-1.252933118,-1.146294519
5654,C23 H38 O6,Sterol 3-beta-D-glucoside Esi+12.207011,410.2641,12.207011,2.560698819,2.418985208,2.657848448,2.536181817,2.616185583,2.395592195,2.650676656,3.322142805,3.175341035,3.497274741,3.24371473,3.408186028,3.163031713,3.424727589
5655,C34 H65 O8 P,PA(15:0/16:1(9Z)),632.4491,16.229984,0.539747562,0.539309697,0.535437575,0.487307484,0.526520678,0.636584148,0.509276877,0.299976314,0.290810365,0.310911132,0.274060548,0.330105869,0.328706766,0.281452734
5656,C20 H41 N O2,Stearoylethanolamide,327.3133,14.977035,2.291711605,2.36729167,2.328430199,2.429489876,2.33207579,2.434360087,2.322266382,-1.463897966,-1.659569905,-1.230464775,-1.478781054,-1.441837384,-1.535646947,-1.417638754
5657,C36 H72 O14 S,C36 H72 O14 S,760.4692,13.534001,0.653860568,0.753822444,0.473333022,0.712234689,0.508573396,0.66384986,0.593939248,-0.892107616,-1.162851237,-0.569115227,-0.906374286,-0.85930284,-0.838431516,-0.926714576
5658,C44 H74 N O9 P,"PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.645997",791.5055,13.645997,1.238258622,1.031679442,1.502014404,1.276091391,1.16171873,1.161665585,1.280244801,1.376552584,1.174140263,1.618026933,1.467769598,1.249942918,1.376147924,1.376813484
5659,C36 H56 O8,phorbol 13-acetate 12-myristate Esi+7.522981,633.4292,7.522981,0.606783391,0.45448317,0.837841284,0.733993404,0.448360727,0.403432096,0.656876372,-0.297946731,-0.192608795,-0.423613041,-0.300531058,-0.314983043,-0.163734845,-0.384478078
5660,C10 H24 N14,C10 H24 N14,340.2289,12.873028,0.008166535,0.251496239,0.489523585,0.13914953,0.229530505,0.081137075,0.179927623,0.090722669,-0.136845687,0.362207726,0.028258657,0.185198031,-0.016791758,0.160041182
5661,C11 H27 N3 O7 P S5,C11 H27 N3 O7 P S5,504.0194,12.843995,0.249703202,0.207735867,0.388066518,0.220887803,0.355106046,0.187358792,0.394278543,0.103949662,0.094819304,0.114842018,0.093347344,0.105295603,0.048905182,0.139438866
5662,C11 H34 N14 P,C11 H34 N14 P,393.2864,10.806978,0.889825884,0.930217697,1.015332054,0.813174199,1.06969166,0.753728299,1.077808843,1.010302628,0.942504281,1.091184867,0.828496709,1.271177639,0.702159976,1.208973548
5663,C18 H28 N10 O4,His Arg His Esi+6.2370205,448.2276,6.2370205,0.553076511,0.224983996,0.925371257,0.500966107,0.638242522,0.300283773,0.671485162,-0.398494546,-0.124488172,-0.725379344,-0.301456272,-0.546348121,-0.149877437,-0.558787157
5664,C42 H74 N O9 P,"PS(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+11.559006",784.5328,11.559006,0.624033568,0.606603716,0.626506959,0.764976674,0.425052229,0.501776282,0.62278662,-0.314668733,-0.317561797,-0.311217359,-0.342985922,-0.295089665,-0.191818531,-0.393874785
5665,C12 H16 O6,Phenyl beta-D-glucopyranoside Esi+4.611004,256.0924,4.611004,0.472586383,0.3109215,0.602794952,0.25755255,0.742775012,0.310610076,0.587180731,0.371041771,0.282447478,0.476733208,0.285596991,0.496843151,0.329947265,0.397536913
5666,C39 H72 N12 O3 P,C39 H72 N12 O3 P,787.5601,13.471981,0.121711676,0.059256417,0.069894371,0.038195562,0.176432497,0.046368238,0.15159878,-0.005022153,-0.003605823,-0.00671181,0.009049913,-0.042314053,0.009549703,-0.014417166
5667,C17 H34 O3,17-hydroxy-heptadecanoic acid,303.2765,10.012965,1.417636549,1.605568614,1.09992627,1.56954005,1.160479239,1.740321005,1.178394907,-0.902522735,-1.065634481,-0.707933284,-0.995245552,-0.720432225,-1.105147639,-0.771882995
5668,C18 H24 O7,Coriandrone D,352.15,5.352006,0.041796241,0.111374625,0.154162832,0.26592134,0.33066794,0.148352316,0.08928855,0.030738496,0.104965799,-0.057813374,0.209399622,-0.213270913,0.188995968,-0.071295926
5669,C26 H52 N6 O9,C26 H52 N6 O9,592.3784,10.155023,0.854222704,0.873179978,0.760763225,0.930354956,0.599142387,1.025695352,0.691169526,0.600126439,0.720103176,0.456996297,0.708840766,0.413016087,0.824063869,0.455745728
5670,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.9909987,284.1303,5.9909987,1.847610494,2.041894251,1.570106333,2.001241918,1.75874503,1.963178729,1.842944299,1.372517599,1.508830248,1.209899,1.426013862,1.270621387,1.479047661,1.303833743
5671,C16 H28 O5,Tetranor-PGF1alpha Esi+8.98098,300.1958,8.98098,1.284200106,1.448987187,0.96102507,1.275927813,1.196575325,1.191961876,1.308130754,1.391234413,1.6303642,1.105956773,1.448608658,1.301983298,1.371653156,1.403859171
5672,C26 H49 N2 O6 P,C26 H49 N2 O6 P,516.3337,10.364012,0.646566645,0.646765768,0.481071865,0.431184418,0.709570342,0.431423327,0.721611966,0.628390433,0.727590802,0.510046134,0.582763162,0.657682065,0.596678043,0.64883658
5673,C23 H39 N8 O5 P,C23 H39 N8 O5 P,538.2718,12.520015,0.580503969,0.559645921,0.446108277,0.427378741,0.698833951,0.309983687,0.696480393,-0.713561678,-0.874167376,-0.521961899,-0.473943538,-1.027298597,-0.527816483,-0.833318449
5674,C20 H40 N6 O6,C20 H40 N6 O6 Esi+10.233983,460.3011,10.233983,0.706630267,0.865124327,0.445580385,0.792283914,0.478599763,0.873406338,0.575101884,0.395936778,0.512808519,0.256510842,0.461777805,0.273718048,0.523829555,0.313479594
5675,C28 H55 N O7 P,"PC(20:2(11Z,14Z)/0:0) Esi+10.55102",565.3909,10.55102,1.0438485,1.071982546,1.000538961,1.297503591,0.710191207,1.05088557,0.982482744,-0.658469655,-0.655707764,-0.661764543,-0.73800743,-0.564841013,-0.574526292,-0.712591034
5676,C38 H62 O13,Torvoside D,743.4454,10.989992,0.166000231,0.164677803,0.826808114,0.180211144,0.290996943,0.152186118,0.260953551,0.11239836,-0.038682954,0.292635716,0.116554063,0.105515493,0.077098033,0.135157781
5677,C25 H40 N2 O7 S,Lipoxin D4 Esi+9.031989,512.2593,9.031989,1.527558563,1.386105326,1.466109309,1.434727683,1.448448603,1.404871213,1.511911803,1.969331781,1.954510842,1.987012901,1.899009389,2.039770196,1.989982107,1.956017755
5678,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.3199863",214.1206,6.3199863,0.08061994,0.043532608,0.08501625,0.005817537,0.11780849,0.043647155,0.082984855,0.064435897,0.142375826,-0.028545071,0.065150599,0.065728185,0.034581842,0.083683906
5679,C14 H22 O4,(-)-trans-C75 Esi+4.6649957,271.1777,4.6649957,1.668273748,1.710082958,1.802939664,1.569213633,2.006219664,1.653826527,1.826548387,1.43767764,1.292192625,1.611238711,1.333532713,1.596809718,1.348506976,1.495169253
5680,C22 H4 N2 O23,C22 H4 N2 O23,663.92,9.599013,0.473079175,0.68203279,0.140166633,0.309137091,0.561966415,0.590999563,0.357938063,0.169912994,0.319167446,-0.008144948,0.153258333,0.170980174,0.293778098,0.090052598
5681,C24 H36 N7 O3,C24 H36 N7 O3,470.2899,12.120033,1.256357599,1.314201827,1.276199909,1.421585745,1.091348692,1.54102537,1.124476683,0.780026174,0.805180625,0.750017356,0.869523766,0.632332323,0.93389837,0.680819101
5682,C40 H37 P S,C40 H37 P S,580.2328,16.122023,0.487552395,0.496698939,0.33186779,0.310884765,0.515506817,0.151296374,0.660589491,0.620376239,0.74460915,0.472168557,0.607910361,0.611686,0.379752117,0.775515476
5683,C42 H58 O6,Fucoxanthin Esi+14.339038,658.4301,14.339038,1.314916427,1.410343515,1.079074846,1.330151585,1.141271526,1.317093351,1.242434931,-1.051645769,-1.211623718,-0.860794883,-0.956145771,-1.14146758,-1.047900288,-1.054060619
5684,C34 H42 O4,Flavidulol C Esi+11.746013,514.314,11.746013,0.122150382,0.059126875,0.341530459,0.052301474,0.144163086,0.297249323,0.003205163,0.189099249,0.037353814,0.370128891,0.233252654,0.135198292,0.361032438,0.078247588
5685,C27 H40 N4 O4,Ceanothine D,501.3352,13.486024,0.891190742,0.69747293,1.268927895,1.036196518,0.853012138,0.993824535,0.94359873,0.753349054,0.611972367,0.922008962,0.794714828,0.663277973,0.811590222,0.715798828
5686,C42 H68 N13 O6,C42 H68 N13 O6,850.5424,14.860037,0.523798644,0.540595131,0.391867777,0.534653654,0.419597966,0.384023291,0.50179824,-0.361774326,-0.480598271,-0.220019444,-0.351164485,-0.404573343,-0.323924251,-0.386177664
5687,C16 H21 N O2,norbutorphanol,259.1612,8.583986,0.604863792,0.282433471,1.144484162,0.417716644,0.96701248,0.457723661,0.712187159,0.43664476,0.224171733,0.690121353,0.246700827,0.722638673,0.299138423,0.525300161
5688,C15 H5 Cl2 O12 P S5,C15 H5 Cl2 O12 P S5,636.7666,12.327965,0.01482665,0.086629803,0.2318272,0.055772611,0.117507015,0.157842755,0.001410278,0.093119895,0.035068661,0.162373998,0.113896721,0.042400855,0.13882153,0.063654366
5689,C43 H55 N6,C43 H55 N6,655.4581,13.552001,1.084948886,1.167818334,0.708841526,0.918994194,1.000891099,1.009494059,0.99873034,-0.530312702,-0.67167786,-0.36166655,-0.450561704,-0.555494422,-0.56299747,-0.509239629
5690,C19 H32 N6 O5,C19 H32 N6 O5 Esi+10.989012,424.262,10.989012,0.372249504,0.404774394,0.365655592,0.214004376,0.607331696,0.175143351,0.543731444,-0.163045195,-0.182610578,-0.139704036,-0.027935322,-0.369851549,-0.031597342,-0.247794469
5691,C13 H26,6-Tridecene Esi+8.630002,199.2296,8.630002,0.383710706,0.578599877,0.05707389,0.54299362,0.126339323,0.739695531,0.100109141,-0.149768954,-0.232936845,-0.050551118,-0.197029409,-0.078431126,-0.285649164,-0.062161976
5692,C21 H31 F3 O,Arachidonyl Trifluoromethyl Ketone,355.2203,5.823985,1.289838775,1.260034431,1.263100925,1.305593796,1.253968656,1.145888027,1.340979107,-0.894864277,-0.856495639,-0.940637388,-0.874030752,-0.926874518,-0.779265646,-0.969394973
5693,C8 H12 O2,7-Octynoic acid,140.0833,4.835005,0.355445238,0.299476258,0.53731481,0.037250205,0.705140478,0.4885449,0.280045236,0.372656648,0.279866219,0.483354001,0.271944513,0.490443017,0.541208775,0.263984881
5694,C18 H37 N7 O4,Lys Arg Leu Esi+11.900963,414.2805,11.900963,1.51095097,1.484750348,1.492961393,1.538780426,1.369634073,1.476797898,1.561189408,0.788669771,0.836927967,0.73109859,0.839875606,0.693076308,0.821918592,0.767233031
5695,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.8699956,258.1364,5.8699956,1.049709572,0.868100939,1.018907293,0.9305147,0.958560524,0.928243138,0.970657993,0.887647178,0.823551043,0.964112742,0.861173661,0.911938625,0.923822192,0.864323814
5696,C18 O21 S,C18 O21 S,583.8657,8.827995,0.315744513,0.513498157,0.02427794,0.194723964,0.366287897,0.321770288,0.275377837,0.106404529,0.245962752,-0.060085983,0.066494564,0.139271094,0.162892425,0.069984701
5697,C47 H81 O8 P,"PA(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",803.5584,12.232983,0.290416594,0.27630959,0.303439924,0.271856686,0.206252051,0.167767063,0.233898298,-0.285430174,-0.194716705,-0.393649751,-0.249205954,-0.362407629,-0.132953176,-0.383737711
5698,C15 H27 N O3,N-[(Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide,269.1988,8.494013,0.167439537,0.365694797,0.077970383,0.217592892,0.150053755,0.066195808,0.234812026,-0.115745548,-0.288019521,0.08977428,-0.131895745,-0.125775745,-0.068318168,-0.146323727
5699,C12 H22 N6 O4,C12 H22 N6 O4,314.1726,7.5059886,0.344779178,0.23482379,0.581576966,0.560216119,0.198432809,0.495435319,0.267863898,-0.156602679,-0.061035809,-0.270612279,-0.218930469,-0.08682202,-0.198565359,-0.129547794
5700,C17 H8 N7 O20 P,C17 H8 N7 O20 P Esi+11.683024,660.9546,11.683024,0.268449934,0.362110683,0.054694311,0.32403731,0.078787312,0.155581861,0.191017952,-0.055005875,-0.129572543,0.033950851,-0.041882362,-0.09664449,-0.006022196,-0.086587458
5701,C10 H20 O5,C10 H20 O5,220.1309,5.904012,0.29861551,0.398642779,0.005399416,0.467003908,0.009490126,0.257100879,0.219580087,-0.179378889,-0.268598223,-0.072941788,-0.303867522,-0.032023481,-0.191198734,-0.171758199
5702,C18 H15 N2 O10,Muscapurpurin,418.0673,5.1430035,0.999719116,1.011727535,0.796758712,1.135657013,0.729653355,0.979623662,0.916741199,-0.716834645,-0.714021211,-0.720191021,-0.69885662,-0.753489068,-0.659606007,-0.753732056
5703,C38 H66 N O10 P,"PS(12:0/20:4(5Z,8Z,11Z,14Z)) Esi+7.673981",363.2188,7.673981,0.606123698,0.759441093,0.255378858,0.539923905,0.463948843,0.776328752,0.392208535,0.244121941,0.375201166,0.087746726,0.27577549,0.175830152,0.40600187,0.139751987
5704,C46 H79 O9 P,"PG(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",806.5465,11.508031,0.742822939,0.765409927,0.6200542,0.816484665,0.585527804,0.56233865,0.730254507,-0.907447092,-0.942960135,-0.865080654,-0.951444627,-0.872003757,-0.791059442,-0.982486498
5705,C9 H21 N O3 P,C9 H21 N O3 P Esi+6.587007,222.1254,6.587007,0.471992341,0.516999819,0.271322421,0.487330417,0.377509071,0.428072739,0.423487874,-0.179493992,-0.260889233,-0.082390896,-0.206584956,-0.164836068,-0.157239925,-0.193842008
5706,C12 H18 O6,"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone Esi+4.63599",258.109,4.63599,0.625350052,0.498522978,0.681463685,0.62087381,0.596932431,0.098482439,0.807441823,-0.730679189,-0.682920257,-0.787654758,-0.71267838,-0.799819644,-0.175271263,-1.088771142
5707,C11 H15 N5 O5,Nelarabine,319.0888,2.728005,1.281098636,1.215456702,1.38447067,1.129368828,1.555258806,1.207426643,1.403575952,0.441899448,0.46996846,0.408413609,0.398843547,0.510542245,0.454367618,0.43386076
5708,C47 H84 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/19:0)",870.6033,14.323979,0.81912834,0.976250073,0.368714782,0.764639671,0.774975014,0.681774538,0.789371672,-0.521444288,-0.756941923,-0.240499741,-0.554577482,-0.488687883,-0.567854758,-0.491521748
5709,C14 H26 O3,14-hydroxy-5Z-tetradecenoic acid Esi+16.822018,242.188,16.822018,1.115749952,1.149997213,0.995415844,1.081913287,1.0240609,0.996869791,1.109892919,-0.789895092,-0.942873954,-0.607393993,-0.800490256,-0.76680968,-0.730459645,-0.828215314
5710,C24 H41 N O3,Palmitoyl dopamine,413.2908,10.24599,0.254838914,0.162648669,0.388396616,0.362121358,0.222559492,0.198244074,0.242586867,-0.175906734,-0.058127794,-0.316414943,-0.111654938,-0.278915265,-0.090778869,-0.230791805
5711,C15 H39 N7 O3 S,C15 H39 N7 O3 S,397.2839,10.656005,1.837178097,1.853131021,1.6167509,1.860355296,1.735986519,1.696690401,1.851124685,-1.658161154,-1.7300624,-1.572384228,-1.551577169,-1.814433669,-1.49085877,-1.766027164
5712,C15 H14 N2 O3,Diphenylhydantoic acid,270.1077,5.948985,0.272147307,0.000880083,0.681784407,0.135866499,0.558188654,0.107142306,0.371701479,0.091863774,0.001992707,0.199078379,0.065358165,0.133198723,0.049966858,0.118876258
5713,C27 H55 N8 O4,C27 H55 N8 O4 Esi+13.477033,555.4343,13.477033,0.308220356,0.396503358,0.001437936,0.295898502,0.184768255,0.131498229,0.275212289,-0.068776011,-0.1292881,0.003413851,-0.046240852,-0.112835343,0.002480595,-0.114717769
5714,C14 H16 N4,Imiquimod Esi+6.6140113,240.1355,6.6140113,1.078776252,0.854141394,1.186460433,0.962629856,1.022198134,1.038678992,1.051059416,0.357435305,0.31247208,0.411075643,0.359097662,0.361145411,0.392515041,0.334818107
5715,C21 H34 O,3beta-Hydroxypregn-5-ene,319.2864,9.891011,0.155582742,0.29848073,0.096604329,0.186172694,0.07576502,0.073970948,0.183564348,-0.018694918,-0.062827712,0.033954731,0.004289347,-0.062572206,0.070420442,-0.076150874
5716,C11 H15 N O2,Butamben,193.1102,10.656005,0.454180833,0.662504506,0.096355167,0.566779926,0.164183201,0.442159895,0.374015549,-0.401679121,-0.633621391,-0.124976062,-0.565638428,-0.194331312,-0.46139024,-0.363181162
5717,C20 O19 P,C20 O19 P Esi+11.952964,574.8782,11.952964,1.769948988,1.681085406,1.778366508,1.720314448,1.690953493,1.691103334,1.776168881,1.094340882,1.118420659,1.06561413,1.110513285,1.043455607,1.097051654,1.092593147
5718,C33 H58 O10,Antibiotic X 14889C Esi+14.003979,636.3848,14.003979,0.892766753,0.839888859,0.979341883,0.814369791,0.896661447,0.823983449,0.90503268,-0.657659872,-0.666812786,-0.646740606,-0.652026751,-0.690011203,-0.680354656,-0.643027708
5719,C20 H49 N21 O3,C20 H49 N21 O3,631.431,11.243981,0.205454825,0.270963508,0.041872304,0.34404309,0.028570646,0.106889514,0.188718154,-0.036994246,-0.057694282,-0.012299467,-0.023251321,-0.08025956,0.052420521,-0.094643241
5720,C18 H28 O2,"13,16-Octadecadiynoic acid",276.211,14.287031,0.776575771,0.785574246,0.664498132,0.775834904,0.826636889,0.565415024,0.910917571,0.657515496,0.686779646,0.622603879,0.655416817,0.672810325,0.509107171,0.753199812
5721,C15 H30 O,3-Ethyltridecan-2-one Esi+9.693995,243.256,9.693995,0.715610451,0.933210825,0.460671183,0.782943431,0.527990937,0.814444761,0.59065808,-0.217739065,-0.250467254,-0.17869491,-0.273405736,-0.144258614,-0.260710957,-0.190033503
5722,C25 H46 O7,C25 H46 O7 Esi+14.283989,458.3238,14.283989,0.171067471,0.022605585,0.530905921,0.134560533,0.259526933,0.258665862,0.230248983,0.230284093,0.12684897,0.353680379,0.210688269,0.253708436,0.215032487,0.240117365
5723,C13 H14 N4 O,Diphenylcarbazide Esi+5.863004 :1,242.1148,5.863004,0.151185933,0.394678855,0.191896111,0.245853926,0.093146301,0.308480891,0.0703355,-0.07492281,-0.261552118,0.14772268,-0.054511074,-0.096874496,-0.154531653,-0.023596056
5724,C30 H46 O10,C30 H46 O10,566.3074,13.099042,0.009297955,0.082322409,0.004095554,0.111707296,0.231980926,0.178664078,0.133309724,0.084679301,0.04866864,0.127639388,0.253202933,-0.15792131,0.219234118,-0.002073146
5725,C30 H61 N O7 P,PC(22:1(11Z)/0:0) Esi+15.740983,578.4181,15.740983,0.834793364,0.876581802,0.724119599,0.781909192,0.847152408,0.821717866,0.817350533,-0.887719134,-0.908930233,-0.862414664,-0.765229443,-1.0882397,-0.916112537,-0.86941286
5726,C29 H59 N O8 P,PC(9:0/12:0)[U] Esi+10.05102,580.3976,10.05102,0.9281694,1.070629394,0.676017604,1.073303539,0.537141438,1.115949374,0.648243046,-0.533245406,-0.604044191,-0.448783697,-0.572181038,-0.434966681,-0.567713993,-0.511022238
5727,C17 H43 N18 O4,C17 H43 N18 O4 Esi+10.886983,563.371,10.886983,0.602291976,0.57813872,0.575592308,0.511759234,0.580133034,0.664229275,0.537731249,0.49410907,0.525874964,0.456212916,0.452012656,0.515286482,0.565913157,0.44781433
5728,C24 H34 N2 O2,CAY10401 Esi+6.427986,399.283,6.427986,0.63127245,0.451489117,0.879531648,0.707507908,0.536444696,0.425431447,0.701464061,-0.308564879,-0.203878873,-0.433453446,-0.282535138,-0.363603682,-0.172447021,-0.396325076
5729,C23 H40 O5,10-F2-dihomo-IsoP Esi+14.179988,396.2873,14.179988,0.81310893,0.874007682,0.570071176,0.810924661,0.72836626,0.53689602,0.870840074,-0.432628783,-0.529837798,-0.316660133,-0.38735641,-0.501574308,-0.305711292,-0.514457165
5730,C45 H74 N13 O7,C45 H74 N13 O7,908.5844,15.152033,0.744972971,0.659140879,0.756100931,0.727216861,0.683735487,0.822518653,0.661043429,0.735442793,0.727868739,0.744478506,0.792082486,0.654765703,0.891036209,0.635125985
5731,C38 H66 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)",694.446,9.714004,0.460891858,0.688567157,0.208441404,0.496343827,0.262002227,0.75100628,0.279265663,0.256902807,0.410601137,0.073543394,0.349694463,0.107186017,0.475052636,0.116253575
5732,C23 H40 O4,C23 H40 O4,380.2875,13.912038,0.335523932,0.31715122,0.141937174,0.415356702,0.081005442,0.243811774,0.2289622,-0.089115657,-0.132369564,-0.037514505,-0.094384481,-0.102420782,-0.062957783,-0.105980602
5733,C12 O17 P S5,C12 O17 P S5 Esi+11.724033,606.7461,11.724033,0.884465878,0.921946551,0.751157955,0.928133693,0.765623277,0.745861439,0.873169004,-0.529411095,-0.582612535,-0.465942709,-0.454601416,-0.64833665,-0.41124876,-0.605594705
5734,C38 H62 O13,Torvoside D Esi+11.13998,748.4005,11.13998,1.227316658,0.943143832,1.642636569,1.177034219,1.321416632,1.063937649,1.403094121,0.613482967,0.499096068,0.749944531,0.633299811,0.582812554,0.568418591,0.64253763
5735,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2]",565.4701,16.164015,0.092617635,0.133070536,0.582597242,0.057901327,0.171538343,0.347360266,0.014043805,0.19825133,0.056088083,0.367849591,0.210038262,0.169373189,0.295413577,0.13560725
5736,C15 H24 N6 O5,C15 H24 N6 O5,368.1812,9.219977,1.200611661,1.121254157,1.23435293,1.144860967,1.253117128,1.085483105,1.284911877,0.875634985,0.830607763,0.929351671,0.825100851,0.937756437,0.826747737,0.907154395
5737,C52 H69 N6 O2,C52 H69 N6 O2,809.5649,14.1120405,1.696843511,1.718042159,1.499340574,1.669030186,1.583100748,1.645585449,1.660566496,-1.261539963,-1.375982177,-1.125012409,-1.232784632,-1.274321032,-1.304754147,-1.233678186
5738,C35 H56 O7,Sanguisorbin B Esi+12.791014,588.3981,12.791014,0.926146703,0.436717839,1.378271682,0.716516219,1.24191114,0.479851712,1.151521256,-0.489586441,-0.337938518,-0.670499754,-0.324648516,-0.760533851,-0.213450867,-0.667621219
5739,C31 H61 O7 P,PA(P-16:0/12:0) Esi+12.793965,575.3996,12.793965,0.120420753,0.017065242,0.190747619,0.020218937,0.175526959,0.069723588,0.120637754,0.258642853,0.176054153,0.357169723,0.238643069,0.283396254,0.266213003,0.253762098
5740,C20 H6 N7 O15 P S,C20 H6 N7 O15 P S,646.9385,9.996993,0.921857149,0.937479573,0.78635975,1.02747082,0.692477265,0.904776192,0.873088589,-0.515928153,-0.553057673,-0.471633287,-0.545620232,-0.467151745,-0.466314692,-0.547915779
5741,C30 H49 N3 O2,Spirolucidine Esi+12.835997,483.3757,12.835997,1.362687743,1.534171082,1.230235415,1.560350796,1.481443521,1.596184287,1.356314886,-0.930967569,-1.104059513,-0.724471917,-0.91278167,-0.935678945,-0.871611653,-0.969236515
5742,C43 H76 N O10 P,"PS(17:0/20:4(5Z,8Z,11Z,14Z)) Esi+11.250982",796.515,11.250982,1.113423033,1.102403921,1.085998863,1.150647712,0.932556846,1.184880427,1.051701172,0.639778091,0.673188334,0.599920258,0.689248181,0.536701352,0.746993195,0.570652564
5743,C31 H44 O3,"1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorcholecalciferol Esi+13.468995",481.3602,13.468995,0.383759998,0.719658291,0.29730013,0.280416553,0.294916296,0.494292707,0.215884598,-0.112111331,-0.308137807,0.121744815,-0.106259323,-0.119321184,-0.194762297,-0.058823209
5744,C25 H54 N12 O S3,C25 H54 N12 O S3,634.369,14.700982,0.353327692,0.164713409,0.566976436,0.357201497,0.328544671,0.37656305,0.345059212,0.350596332,0.244947879,0.476633082,0.380498704,0.315934136,0.395514441,0.321635971
5745,C16 H4 N O21 P S,C16 H4 N O21 P S,608.875,12.875,0.960192467,1.228320859,0.422942189,0.881927981,0.943710693,1.143677898,0.827441297,-0.570798965,-0.817159165,-0.276895569,-0.541311452,-0.59142181,-0.73677102,-0.463790666
5746,C7 H13 O6 P,Cedrol Esi+4.835003,224.0451,4.835003,0.962640782,0.918139123,1.015598608,0.680011463,1.236832708,1.052837328,0.89700717,0.963022218,0.884023894,1.057265834,0.826168676,1.127776958,1.077069263,0.889491887
5747,C28 H49 O9 P,"PG(22:4(7Z,10Z,13Z,16Z)/0:0) Esi+6.7930064",559.3016,6.7930064,1.721621904,1.71504101,1.687364772,1.706548901,1.789308226,1.696243295,1.692995892,1.358182524,1.211799416,1.532815004,1.201006278,1.564274274,1.162101007,1.484603503
5748,C15 H24 O5,Dihydroartemisinin Esi+7.901984,284.1616,7.901984,0.906483938,0.664253178,1.126719867,0.816571074,0.964926346,0.632811066,1.079420782,0.699259049,0.554505648,0.871947316,0.586410297,0.843715462,0.479107867,0.841198627
5749,C35 H46 O,"4'-Apo-beta,psi-caroten-4'-al Esi+15.9950485",482.3604,15.9950485,0.31804909,0.301826201,0.261209318,0.340177756,0.254528308,0.101162481,0.395283208,-0.157740052,-0.181030693,-0.129954725,-0.142511498,-0.167028426,-0.045556884,-0.230068673
5750,C25 H49 O7 P,PA(22:1(11Z)/0:0) Esi+15.122019,492.3192,15.122019,0.338481467,0.420518215,0.035433715,0.020356693,0.546925668,0.082957808,0.425104419,-0.044802464,-0.140805547,0.06972753,0.040339215,-0.16584904,0.043315168,-0.101615148
5751,C24 H49 O7 P,PA(21:0/0:0),480.3255,11.635988,1.502516243,1.516974144,1.36011004,1.445470556,1.515328848,1.431093591,1.450239704,1.088510396,1.205427016,0.949030919,1.061703942,1.116840101,1.160115066,1.042344227
5752,C27 H42 N4 O4,Hovenine A Esi+12.992995,508.3014,12.992995,1.859379552,1.64060889,2.005342809,1.569664822,2.089627282,1.711095898,1.912276732,2.332791839,2.116576944,2.590732416,2.079434236,2.680883344,2.168028222,2.439021013
5753,C38 H61 N O8 P S,C38 H61 N O8 P S,722.3857,12.961985,1.632486208,1.409738858,1.730823844,1.564221463,1.580485674,1.451592121,1.640271865,1.866959812,1.588691958,2.19892848,1.828990986,1.913898214,1.682398125,1.985953532
5754,C26 H55 N O7 P,LysoPC(0:0/18:0),523.3601,13.220966,0.126444816,0.331409655,0.026622393,0.143362435,0.09910757,0.136517143,0.196266549,0.117247994,0.166686826,0.058268334,0.132264513,0.080695948,0.108344212,0.122988589
5755,C37 H62 O12,Cyclopassifloside X Esi+14.846978,720.4075,14.846978,1.20850469,0.862150988,1.555369839,1.289703112,1.106505613,1.080514812,1.204503647,0.871291498,0.572603361,1.227621205,0.901921688,0.839197931,0.717081444,0.970716401
5756,C25 H42 N6 O7,C25 H42 N6 O7 Esi+12.357978,538.3116,12.357978,0.003878347,0.286804546,0.29090536,0.128450496,0.141477315,0.022768537,0.002417955,0.076563012,-0.194863599,0.400370198,0.065439926,0.09254219,0.097867092,0.062827487
5757,C6 H8 O2,4-Hexynoic acid Esi+7.5510173,112.0522,7.5510173,0.586747758,0.829117513,0.177974123,0.725961438,0.365898619,0.709380383,0.400249567,-0.716990837,-1.103803415,-0.255530218,-0.891299064,-0.463596177,-0.8088703,-0.657752762
5758,C44 H85 N O11 S,C20 Sulfatide,835.5856,10.224011,0.367869348,0.239595137,0.521050621,0.432138106,0.274520996,0.138331307,0.422581488,-0.17837799,-0.102523069,-0.268871579,-0.153946215,-0.233580292,-0.017996566,-0.281781802
5759,C7 H14 N6 O,C7 H14 N6 O,198.123,5.2010026,0.6928402,0.612901346,0.8563986,0.622493633,0.852155899,0.70173815,0.723903369,0.638413158,0.447055356,0.86669966,0.587612818,0.724037642,0.552962597,0.693506283
5760,C32 H50 O5,Tsugaric acid C Esi+15.736028,514.3635,15.736028,1.466330262,1.615986582,1.282978441,1.588602787,1.368285363,1.546611522,1.430918473,-1.472196187,-1.67320893,-1.23239151,-1.464532758,-1.505182937,-1.293779006,-1.587228316
5761,C26 H52 N24 O8,C26 H52 N24 O8,828.4391,8.18601,0.219327989,0.179755246,0.556967555,0.3102326,0.276670427,0.186263342,0.304829258,-0.093029735,-0.126494092,-0.053107346,-0.167342268,0.004294451,-0.142822218,-0.060926688
5762,C17 H18 Cl N9 O7 P S,C17 H18 Cl N9 O7 P S Esi+12.199971,558.049,12.199971,0.254363705,0.136905841,0.549119752,0.164763204,0.503956593,0.22614798,0.382347211,0.15590393,0.115556043,0.204038251,0.144561943,0.152355646,0.152760543,0.157930588
5763,C11 H12 O4,"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone Esi+5.1450095",208.071,5.1450095,0.08775747,0.179583065,0.423342303,0.160592345,0.305208135,0.074382043,0.194857928,0.067408557,-0.168563045,0.348918538,-0.069031318,0.234539218,-0.079909994,0.162390254
5764,C12 Cl10,Decachlorobiphenyl Esi+12.366964,515.675,12.366964,1.743286695,1.712083152,1.843610304,1.717883064,1.83224228,1.734310548,1.826641812,0.923429115,0.957268497,0.883059327,0.933728333,0.888716165,0.947388639,0.907981528
5765,C20 H6 N2 O20 P,C20 H6 N2 O20 P,624.925,10.009013,0.632870284,0.598272803,0.537617676,0.714149651,0.282817597,0.662840093,0.481554077,-0.359465614,-0.356818303,-0.362623809,-0.402591901,-0.287776179,-0.351818794,-0.3643958
5766,C20 O19 P,C20 O19 P Esi+11.0689945,574.8776,11.0689945,0.750383273,0.867689946,0.575950001,0.57128583,0.835966566,0.742205593,0.761056813,0.38880454,0.494108674,0.263178555,0.354422958,0.411593593,0.446582612,0.351552888
5767,C8 H10 N4 O2,Enprofylline Esi+4.4290032,194.0835,4.4290032,0.462167999,0.616105726,0.168303946,0.545482447,0.219448334,0.31042539,0.473402106,-1.017018749,-1.24888869,-0.740401976,-0.990325065,-0.93399052,-0.411354345,-1.407512903
5768,C22 H21 N10 O19 P S,C22 H21 N10 O19 P S Esi+12.721984,792.0434,12.721984,0.193125942,0.266831608,0.045734672,0.304313099,0.094718749,0.166379236,0.077603353,-0.022206577,-0.065914477,0.029936181,-0.029024086,-0.029811893,-0.003012133,-0.034581942
5769,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+9.0899935,440.2026,9.0899935,1.401085457,1.338619576,1.433383799,1.349573885,1.444583417,1.49062085,1.36973788,2.03505236,1.945060837,2.142410668,1.965318206,2.090554962,2.085916378,2.002258453
5770,C28 H51 N15 O P,C28 H51 N15 O P,644.4218,14.206037,0.376651563,0.415646106,0.188972565,0.394582302,0.267704813,0.23588872,0.39172385,0.71070782,0.771321162,0.638397166,0.85970278,0.554306604,0.339074438,0.950313553
5771,C24 H39 N8 O3,C24 H39 N8 O3,487.3133,10.955002,0.509194918,0.327334115,0.638460127,0.394605131,0.500107252,0.592762428,0.421493287,0.454863368,0.330664092,0.603030925,0.444328805,0.464706242,0.526974682,0.408370547
5772,C27 H47 N7 O6,JSTX-3 Esi+12.509017,582.3888,12.509017,0.098266248,0.069272634,0.175112051,0.081271969,0.101974115,0.136406517,0.179868887,-0.123172856,0.100003343,-0.389418147,-0.073442753,-0.210674523,0.160165759,-0.3058517
5773,C16 H26 O6,Perilloside A Esi+6.1500144,314.1728,6.1500144,0.034535226,0.030630057,0.019506092,0.008677094,0.0052988,0.005203715,0.005007204,0.014006529,0.021699794,0.004828599,0.042287639,-0.035250551,0.023738633,0.007731883
5774,C10 Cl3 N O11 P S4,C10 Cl3 N O11 P S4,573.717,13.294984,1.955117995,2.018527615,2.035775192,1.974003914,2.116802641,2.054195404,2.018531411,1.004001026,1.052521838,0.946116548,0.992747217,1.00499569,1.007703563,1.001613864
5775,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+12.918964",728.4842,12.918964,1.482298821,1.439842654,1.648821966,1.420694488,1.607791409,1.507477029,1.57342356,0.717788751,0.730860223,0.702194714,0.717764859,0.701994431,0.748041043,0.698283984
5776,C27 H45 N8 O3,C27 H45 N8 O3 Esi+14.614991,529.3619,14.614991,0.056200571,0.267590742,0.586116113,0.023304491,0.196709869,0.049944046,0.157834909,0.011008089,-0.225399637,0.293038358,-0.008297892,0.048723865,-0.025284901,0.034407516
5777,C28 H52 N2 O3,C28 H52 N2 O3,464.397,13.249019,1.599103727,1.768582877,1.245507991,1.443568628,1.696111135,1.724651471,1.507848841,-0.935621726,-1.101120206,-0.738184942,-0.896167304,-0.993968395,-0.994100202,-0.897918498
5778,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.8979855,272.1622,6.8979855,0.455859482,0.38707766,0.395709355,0.301151722,0.455631323,0.407108432,0.421549059,-0.216876791,-0.192918701,-0.245458372,-0.200613053,-0.261743833,-0.195119921,-0.230904246
5779,C21 H28 F N O,XLR11 Esi+6.5050044,329.2199,6.5050044,0.138012048,0.140871361,0.310845297,0.000950547,0.089919202,0.021857933,0.10267672,0.100021026,0.001077105,0.218059387,0.121820535,0.079029126,0.099483029,0.100367893
5780,C25 H41 Cl N8 O,C25 H41 Cl N8 O,504.3095,11.531005,0.859643887,0.85590051,0.806751046,0.784518148,0.922590059,0.467874271,1.067726091,0.523710815,0.59473981,0.43897447,0.470599131,0.590704354,0.312731946,0.659736664
5781,<none>,<none> Esi+12.954022,982.1629,12.954022,0.186257654,0.148152261,0.246837521,0.125699247,0.298836474,0.313156568,0.124102748,0.138413847,0.123497816,0.156208411,0.139861152,0.11416907,0.20555076,0.095128206
5782,C23 H43 N O9,C23 H43 N O9,477.296,10.362034,1.326135523,1.257325606,1.386901122,1.411500173,1.206608251,1.362060414,1.283737135,1.712449312,1.627972873,1.813228221,1.744636176,1.625648413,1.708796565,1.714804372
5783,C13 H2 N O16 P S2,C13 H2 N O16 P S2 Esi+13.230972,522.8548,13.230972,1.690555881,1.783155663,1.759125832,1.724483308,1.798131732,1.806089395,1.777341152,0.812873763,0.854804518,0.762851108,0.826676828,0.779949679,0.841987719,0.794102923
5784,C23 H52 N12 O S,C23 H52 N12 O S,544.4097,15.236031,0.77281518,0.872958904,0.467902721,0.782454761,0.706105586,0.616430425,0.748834388,-0.360204806,-0.482831096,-0.213913794,-0.312484144,-0.438951036,-0.315823918,-0.3888188
5785,C18 H32 Cl N2 O9 P S3,C18 H32 Cl N2 O9 P S3,582.0683,12.907975,0.602543386,0.681297065,0.295020101,0.700312056,0.261521414,0.547600536,0.489464937,-0.181912877,-0.260494703,-0.088166138,-0.201733208,-0.169123338,-0.181839553,-0.181960152
5786,C35 H62 N12 O8 S,C35 H62 N12 O8 S,810.4538,14.114991,0.214062257,0.092557685,0.447337957,0.256802365,0.2152829,0.299903716,0.215721623,0.236948224,0.133858559,0.359932385,0.268904092,0.165229903,0.259019923,0.222717787
5787,C14 H18 O4,Helinorbisabone Esi+10.316988,250.119,10.316988,1.315976015,1.21487213,1.363587734,1.227922885,1.352379626,1.249162524,1.314622261,0.792237476,0.859079675,0.712495905,0.805821998,0.770067835,0.814533366,0.777862494
5788,C15 H26 O4,Ethylene brassylate Esi+9.506996,270.1826,9.506996,0.041986041,0.06816432,0.163702234,0.047837368,0.156025031,0.043356697,0.051130616,-0.060869527,0.050495734,-0.19372633,-0.005910949,-0.142350402,0.006264329,-0.104153197
5789,C42 H7 N8 O20 P,C42 H7 N8 O20 P,971.9754,14.3669615,1.031131855,1.335292917,0.633107272,1.173706023,0.767456673,1.516595729,0.755576985,-0.801279536,-1.136496838,-0.401371177,-0.96797538,-0.546540331,-1.150301417,-0.576252271
5790,C40 H58 O5,"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol Esi+16.254946",618.4225,16.254946,0.401712015,0.532913393,0.12443603,0.269114737,0.514483654,0.289415921,0.410017502,-0.239428328,-0.366018756,-0.088408168,-0.152281234,-0.370954898,-0.21148708,-0.25744308
5791,C6 H11 N O,2-Acetylpyrrolidine Esi+3.7520099,113.084,3.7520099,0.446522771,0.466309922,0.383457212,0.159979828,0.763164356,0.219370335,0.59128599,0.575230953,0.637606741,0.500817733,0.318423969,0.90628561,0.330911356,0.732752799
5792,C15 H43 N17 O4 P,C15 H43 N17 O4 P,556.3412,10.958986,0.447172852,0.757287186,0.236123131,0.487549741,0.246828407,0.506416438,0.311970739,-0.161094323,-0.344764108,0.058020509,-0.182658722,-0.126102963,-0.229585142,-0.116935768
5793,C47 H80 O17,Gynosaponin I,933.5703,13.883038,0.069026178,0.061015214,0.012544004,0.008084462,0.111889353,0.062132003,0.044047902,0.070629515,-0.026977498,0.187072969,0.134990423,-0.05145089,0.088582837,0.059054346
5794,C12 H20 F2 O,"8,9-Difluoro-8E,10E-dodecadien-1-ol",218.152,6.609007,0.674344139,0.42075103,0.934364843,0.723318645,0.524127774,0.774199875,0.596133373,0.234173822,0.172475635,0.307778678,0.287422568,0.160274367,0.302747988,0.189961531
5795,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+6.620981",172.11,6.620981,0.587168932,0.581187455,0.4641751,0.55452229,0.455262379,0.63166075,0.465656556,0.389852375,0.445802254,0.323105149,0.445217707,0.304491123,0.510548857,0.312034906
5796,C37 H58 O10,cimicifoetiside A Esi+15.24803,662.4018,15.24803,0.485369766,0.274287557,0.674979561,0.359916685,0.507377582,0.498285675,0.430584517,0.731484008,0.552810518,0.944638346,0.748675183,0.69389846,0.875256348,0.638788683
5797,C19 H19 N,C19 H19 N,260.1618,7.913972,0.51427476,0.436153856,0.549750917,0.297510869,0.698845381,0.779898499,0.36303636,0.518738998,0.494913443,0.547162468,0.4097925,0.66519505,0.831139561,0.317322846
5798,<none>,<none> Esi+11.118982,468.7903,11.118982,0.717588704,1.028575506,0.103163058,0.774169227,0.549845407,0.855051565,0.562318616,-0.292024184,-0.484928185,-0.061893095,-0.315024934,-0.249817222,-0.389857139,-0.228947673
5799,C31 H58 N16 O3 P,C31 H58 N16 O3 P,733.4844,13.388977,1.141099432,1.113346581,1.241355716,1.156645897,1.037740821,1.117871626,1.209733064,0.902198147,0.872294443,0.937872741,0.956319729,0.799906154,0.93067139,0.883840399
5800,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.012967,511.327,9.012967,0.208863867,0.263543704,0.182286698,0.308767191,0.020960587,0.085675751,0.249650845,-0.042580576,-0.106110627,0.033209661,-0.143925942,0.091204082,-0.036900278,-0.046242873
5801,C42 H80 N O9 P,PS(P-18:0/18:1(9Z)),773.5422,12.96297,0.207975579,0.113721613,0.281043326,0.122823107,0.195463304,0.013408036,0.273092688,-0.141501901,-0.078358181,-0.21683125,-0.080986918,-0.235618202,-0.022291353,-0.218361333
5802,C25 H34 O11,Aeglin,527.2382,14.315977,0.87613554,0.907367627,0.656047408,0.697194273,0.905096521,0.786307266,0.870319976,-0.963648654,-1.200542801,-0.681038092,-1.003664661,-0.911264414,-0.915942776,-0.994406391
5803,C6 H12 O3,butoxyacetic acid,132.0788,6.587007,0.494809161,0.52534615,0.33687338,0.522452645,0.381343484,0.480108658,0.44418659,-0.199804049,-0.2700172,-0.116040992,-0.246756419,-0.156358754,-0.198933291,-0.200365458
5804,C34 H75 N27 O2 P,C34 H75 N27 O2 P,924.6339,14.386978,0.445862539,0.299803923,0.676021615,0.489958102,0.386707665,0.435267734,0.490691218,0.616584441,0.459140178,0.804412686,0.650543143,0.540190143,0.618320716,0.615465001
5805,<none>,<none> Esi+4.1680136,383.7643,4.1680136,0.946087963,1.05416908,0.881452371,0.930370715,1.068568717,1.197944669,0.837248071,0.529851641,0.618151648,0.424511282,0.53443548,0.528494817,0.673776768,0.43705781
5806,C38 H72 N O9 P,PS(P-18:0/14:1(9Z)) Esi+11.709983,717.4859,11.709983,0.735182509,0.612762864,0.800975549,0.613326105,0.849851616,0.553869933,0.766186247,-0.915500607,-0.746643737,-1.116943891,-0.607526962,-1.376857216,-0.470346657,-1.20250776
5807,C29 H57 N11 P,C29 H57 N11 P Esi+15.789013,590.4523,15.789013,1.244792113,1.236762107,1.140232246,1.124258138,1.243361904,1.11732691,1.234903408,-1.242050324,-1.460063297,-0.981964672,-1.142151256,-1.358085451,-1.135129998,-1.310985797
5808,C38 H74 N O7 P,PE(P-18:0/15:1(9Z)),709.5069,14.510009,0.891256045,0.930862428,0.769079404,0.99396602,0.781000022,0.754587212,0.925217312,-0.580420297,-0.611657108,-0.543155329,-0.566403278,-0.622490793,-0.427149508,-0.679239621
5809,C15 H O16 P S2,C15 H O16 P S2,531.8416,10.442994,1.219373125,1.203369694,1.102060135,1.214048904,1.09659639,1.163448458,1.173221861,0.988079245,1.053916712,0.909536302,1.023178817,0.90271867,1.031313031,0.96020483
5810,C9 H9 N2,4-Aminomethylindole,145.0786,1.6080015,1.150939772,1.156161766,1.002407058,1.046059067,1.160212929,1.24001708,0.987880992,1.305144791,1.498529932,1.074439709,1.332688386,1.289042361,1.50301437,1.177570983
5811,C36 H54 O8,Synaptolepis factor K1 Esi+8.698982,631.4127,8.698982,0.350867434,0.330156614,0.49622874,0.428245263,0.265877058,0.225664878,0.352632378,-0.303352428,-0.251753897,-0.364908569,-0.377886466,-0.213796993,-0.195820836,-0.372682006
5812,C19 H23 N O3,6-O-Methylcodeine,330.1943,10.67201,0.63682553,0.529788307,0.791733699,0.535484533,0.679583981,0.522444067,0.737510134,0.76252591,0.642027374,0.906278549,0.787856775,0.731862039,0.679271525,0.816203079
5813,C39 H62 O12,C39 H62 O12,720.4457,14.208007,0.513801498,0.27506413,0.783475011,0.505980269,0.463237736,0.468818754,0.510044293,0.586410562,0.379909231,0.832763026,0.608039409,0.537620857,0.534779597,0.619698947
5814,C21 H50 Cl N10 O,C21 H50 Cl N10 O,493.3907,15.191958,0.96940172,0.996547263,0.765648184,0.90797794,0.927195654,0.642481966,1.005075191,-0.588607492,-0.656060891,-0.508136771,-0.540972976,-0.676249776,-0.296108154,-0.777192591
5815,C25 H21 O17,Cyanidin 3-(6''-dioxalylglucoside) Esi+11.775966,592.071,11.775966,0.737037714,0.672443286,0.651400685,0.822637596,0.502410997,0.462176611,0.769984942,-0.320437231,-0.316161517,-0.325538083,-0.322983807,-0.329123761,-0.192162537,-0.403140652
5816,C8 H10 O,"3,4-Dimethylphenol Esi+5.144002",122.0731,5.144002,0.757122561,0.887150718,0.374366512,0.884353325,0.483406538,0.808054387,0.596354892,-0.523689067,-0.63826727,-0.386999282,-0.533346418,-0.537275235,-0.552991548,-0.504796678
5817,C3 H3 N3 O3,C3 H3 N3 O3,129.0377,1.1099994,0.328064451,0.337339995,0.36151177,0.264264217,0.366509774,0.024904464,0.560779581,-0.221249613,-0.197984006,-0.249005075,-0.180289938,-0.248535915,-0.054309636,-0.328881967
5818,C21 H38 N2 O,C21 H38 N2 O,334.2981,12.480973,1.180170533,1.459672521,0.817975401,1.258869414,1.172338382,1.423217706,1.050044219,-0.448716752,-0.565511286,-0.309382923,-0.391561515,-0.511313835,-0.516221226,-0.405194131
5819,C27 H40 N19 O12 P S4,C27 H40 N19 O12 P S4,981.1731,13.899974,0.597054589,0.454418491,0.554128247,0.599032639,0.258347989,0.320209338,0.607923198,-0.199431959,-0.185386861,-0.216187514,-0.207543643,-0.207044431,-0.098732497,-0.264356612
5820,C16 H22 O4,Diisobutyl phthalate Esi+13.283992,278.1514,13.283992,1.041159562,1.142887526,0.803811256,0.870117081,1.084583372,1.032569758,1.017655929,-0.377172994,-0.433194915,-0.310339825,-0.322385822,-0.422947358,-0.420914502,-0.348971232
5821,C23 H40 O7,2-glyceryl-PGF2? Esi+12.308016,428.2779,12.308016,1.138326048,0.853771489,1.195294837,1.054434036,1.019694773,0.954433457,1.150026054,0.903796401,0.759649583,1.075761025,0.939828801,0.833409259,0.836472714,0.947202462
5822,C26 H44 O9,Mupirocin Esi+11.586987,522.2798,11.586987,2.288637497,2.124252698,2.519578222,2.277515652,2.387996856,2.177951563,2.397812802,3.509498345,3.225856977,3.847877521,3.430378755,3.603604628,3.355680544,3.608670348
5823,C52 H78 N3 O6 S,C52 H78 N3 O6 S,872.5539,14.18799,0.145818674,0.096419671,0.308897124,0.165060653,0.135409207,0.247934679,0.142822995,0.1974833,0.159604307,0.242672274,0.229795119,0.13939299,0.229745787,0.176682485
5824,C35 H70 N3 O3 P S,C35 H70 N3 O3 P S,643.4864,13.131031,0.100923136,0.148815815,0.098130826,0.139527166,0.016401241,0.062230747,0.069147695,0.002228983,-0.020634504,0.029504721,0.035658165,-0.062607349,0.102589319,-0.062477023
5825,C28 H46 O5,Polyporusterone F Esi+14.593014 :2,462.3329,14.593014,0.324773711,0.292120079,0.172952152,0.278249608,0.256546857,0.116016346,0.321677208,-0.041308206,-0.027480137,-0.05780485,0.029162238,-0.145959372,0.113418621,-0.141066292
5826,C13 H20 O6,C13 H20 O6,272.1254,5.375,0.015102468,0.136432293,0.12353287,0.155986168,0.183822538,0.115242209,0.069971389,0.005555097,0.066718419,-0.067411673,0.111251545,-0.135163852,0.064974525,-0.032754798
5827,C40 H67 O8 P,"PA(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",705.4509,8.258025,0.698781494,0.707248664,0.65612077,0.810237536,0.477269885,0.938499216,0.52538953,-0.559149566,-0.501521328,-0.627899042,-0.595092023,-0.50820111,-0.573888669,-0.549646723
5828,C24 H54 N20 O P,C24 H54 N20 O P,669.4549,13.520016,1.162290476,1.115497388,1.306867951,1.023650108,1.342991061,1.195661403,1.217776815,0.551011407,0.561514617,0.538481263,0.526588633,0.569148043,0.575082651,0.53549179
5829,C32 H46 O5,Ganodermic acid TQ,510.3292,15.085989,0.362436356,0.235080244,0.713859524,0.516246459,0.352596952,0.573035442,0.382099437,0.376330319,0.284636978,0.485718866,0.43406307,0.280580633,0.406035222,0.357178474
5830,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+12.888979,609.405,12.888979,1.816881239,1.691551728,1.736194692,1.760084033,1.728346236,1.637580433,1.843651576,1.940829789,1.941445767,1.940094938,1.970396681,1.87835168,1.829993572,2.012289982
5831,C31 H52 O6,Cyclopassifloic acid B,498.3792,14.7580385,0.833265208,0.81083622,0.732451353,0.542921428,1.038188547,0.549186925,0.884059352,-0.671379902,-0.639779997,-0.709078035,-0.382802271,-1.094049795,-0.420936799,-0.832849798
5832,C9 H14 O6,Triacetin,240.0606,6.267985,1.543520095,1.363801658,1.491417618,1.26354237,1.654066856,1.284899078,1.552739163,-0.815193139,-0.831593741,-0.795627509,-0.687303994,-1.008650166,-0.73777429,-0.865107923
5833,C27 H25 O18,"Delphinidin 3-O-3'',6''-O-dimalonylglucoside Esi+11.637962",636.0967,11.637962,0.925199893,0.840768318,0.852281659,0.942262809,0.714264347,0.684347321,0.953588747,-0.410133695,-0.381606778,-0.444165806,-0.402914907,-0.44069737,-0.297043941,-0.483046825
5834,C14 Cl2 N2 O12 S5,C14 Cl2 N2 O12 S5,616.7594,13.104984,0.177292037,0.110059343,0.429145039,0.182977968,0.377655072,0.223349267,0.258694532,0.116019527,0.08857536,0.148759938,0.122714693,0.092655301,0.121815706,0.112282518
5835,C23 H36 N7 O,C23 H36 N7 O,426.298,14.398979,0.155867229,0.245804121,0.022383356,0.029135373,0.271898861,0.079068242,0.148536314,-0.097517428,-0.147842915,-0.037480005,-0.007590265,-0.249982389,-0.018102415,-0.148719213
5836,C29 H48 N7,C29 H48 N7,494.3983,15.537044,1.639061801,1.748827232,1.41408697,1.609544994,1.574093232,1.672795817,1.568478646,-1.726416476,-2.022349042,-1.373374117,-1.789050409,-1.637483823,-1.78905443,-1.68603148
5837,C12 H18 O6,"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone Esi+4.6240096",258.1086,4.6240096,0.586811801,0.570336233,0.47251057,0.568065203,0.561017802,0.28209326,0.701576797,-0.535178727,-0.613285801,-0.441998358,-0.480269672,-0.649871474,-0.250766048,-0.718550059
5838,C28 H30 N2 O2,Darifenacin,426.225,9.693009,0.245909944,0.362991549,0.126703694,0.358330968,0.21793846,0.060171806,0.381903624,-0.144993822,-0.214045498,-0.062616385,-0.144664387,-0.150588861,-0.046004777,-0.208815707
5839,C19 H22 O2,3-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid,282.162,14.177001,2.383315129,2.342834291,2.1119217,2.332549218,2.227094524,2.146820022,2.325516566,-2.720415288,-2.808911502,-2.614840857,-2.667812282,-2.787127319,-2.667302952,-2.754658768
5840,C14 H9 N3 O19 P S,C14 H9 N3 O19 P S,585.9279,14.239013,0.820808574,0.907342723,0.653504979,0.954687552,0.689628625,0.768798618,0.798837701,-0.453302205,-0.496967958,-0.401209727,-0.436360647,-0.480120519,-0.379561001,-0.500845875
5841,C43 H64 O18,Fevicordin B 2-gentiobioside,868.4136,7.8079915,0.774044301,0.59700621,0.880030533,0.657080501,0.823816198,0.522941006,0.84627238,-0.527300034,-0.411044337,-0.665991041,-0.446178583,-0.676744998,-0.345488474,-0.644520646
5842,<none>,<none> Esi+13.414006 :1,542.7141,13.414006,0.340878633,0.186974707,0.66494417,0.279931782,0.518865972,0.405991473,0.378783975,0.161401249,0.118387877,0.212715448,0.154924449,0.158936163,0.186764418,0.14504868
5843,C27 H49 N O4,C27 H49 N O4 Esi+12.86003,451.3566,12.86003,1.337458732,1.180116267,1.393668286,1.272953377,1.269251446,1.259680387,1.341770557,0.776098229,0.773905079,0.778714618,0.780557154,0.75307911,0.773614358,0.777699672
5844,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+12.7949915",553.3934,12.7949915,0.558789216,0.417529587,0.683908913,0.715712467,0.349803734,0.532981554,0.589083218,0.567584029,0.405098392,0.761426543,0.712578484,0.462662781,0.506769664,0.60679329
5845,C21 H42 N2 O2 S,C21 H42 N2 O2 S,386.2967,14.111026,0.579258881,0.801553845,0.157043879,0.460956617,0.539011935,0.692744488,0.412026265,-0.406435751,-0.524462684,-0.265631692,-0.380092149,-0.412168413,-0.507180564,-0.341481859
5846,C19 H35 N O4,CAY10580 Esi+9.685033 :2,341.256,9.685033,0.577228699,0.547031907,0.650817985,0.619519121,0.625827532,0.652153593,0.60880647,0.485134107,0.516152921,0.448129206,0.511801496,0.438895801,0.522681944,0.460925633
5847,C27 H59 N14 O6,C27 H59 N14 O6,675.4736,10.087988,0.183565389,0.110143702,0.200174423,0.035197041,0.377088935,0.02288171,0.244845288,-0.136355226,-0.085601708,-0.196903282,-0.056133168,-0.27118558,-0.014669761,-0.214810329
5848,C13 H27 N8 O2,C13 H27 N8 O2,327.2253,5.177988,0.104979733,0.039900638,0.176339256,0.155195866,0.098238557,0.042655934,0.159261128,-0.097829318,-0.018881,-0.192013277,-0.068091681,-0.154272595,0.01018882,-0.167472592
5849,C12 H21 N3 O5,N-Acetyl-ala-ala-ala-methylester,287.1446,10.396979,0.309263348,0.273835112,0.400991795,0.309720873,0.333030543,0.386628529,0.39002987,0.521494011,0.403520766,0.662234022,0.577361262,0.423971909,0.598181193,0.472050959
5850,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+5.875987",226.1193,5.875987,0.553042558,0.29191155,0.73700327,0.323960814,0.655841883,0.409192329,0.573539831,0.411550154,0.299428131,0.545309759,0.384323461,0.432970339,0.432491147,0.398048724
5851,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+15.232964 :1",280.2399,15.232964,2.238064333,2.325520197,2.123052679,2.31919112,2.178894809,2.352369111,2.192876751,-1.720630103,-1.935834563,-1.463894958,-1.733127795,-1.703091053,-1.731322099,-1.713736579
5852,<none>,<none> Esi+7.7889724,415.7581,7.7889724,0.241457048,0.338550681,0.003581055,0.166410131,0.297707325,0.274471183,0.173552762,0.069501614,0.204718336,-0.091809563,0.024807904,0.105468309,0.118719048,0.037769321
5853,C30 H45 N5 P,C30 H45 N5 P,506.3423,15.2199745,0.491302517,0.462586633,0.675688992,0.534185712,0.537071275,0.669994191,0.45812062,0.534809311,0.489008045,0.589449418,0.562073354,0.488586657,0.619069954,0.480483371
5854,C40 H48 O4,"7,8,7',8'-Tetradehydroastaxanthin Esi+13.364991",592.3573,13.364991,0.508575114,0.510441326,0.53083998,0.572112461,0.418215226,0.609446964,0.463250229,0.420818379,0.360186615,0.49315101,0.478932199,0.347513395,0.431154369,0.414154386
5855,C26 H52 O,hexacosanal,379.3922,4.2290034,0.311505427,0.366844625,0.018517152,0.085725627,0.533263846,0.131353078,0.360778976,-0.186253436,-0.192014013,-0.179381168,-0.085092612,-0.315622692,-0.091839799,-0.247125386
5856,C36 H62 O11,Ginsenoside Rh6,692.412,13.832017,0.46552029,0.260919251,0.785325955,0.378740997,0.527421139,0.419027879,0.422152105,0.496187697,0.333447019,0.69033447,0.486510186,0.482478909,0.448129875,0.527172345
5857,C38 H73 O9 P,PG(P-18:0/14:1(9Z)) Esi+12.721984,703.5043,12.721984,0.5737923,0.652737488,0.488618767,0.45970612,0.74681882,0.21762628,0.782851549,0.7967162,0.890032844,0.68539108,0.503851259,1.119022924,0.267306262,1.138046291
5858,C8 H18 O3,"(3R,7R)-1,3,7-Octanetriol Esi+5.989011",162.126,5.989011,0.561203586,0.64287686,0.276292514,0.434255781,0.648839794,0.238828848,0.696353244,-0.249182327,-0.316261016,-0.169158628,-0.124654641,-0.427333734,-0.007274461,-0.405149241
5859,C28 H44 O3 S,C28 H44 O3 S,457.3447,10.230978,0.801191771,0.876932895,0.709933889,0.847321304,0.665874637,0.848514384,0.795129796,0.384814565,0.472102488,0.280681603,0.425666285,0.301804642,0.448501508,0.343753245
5860,C16 H33 N O,Palmitic amide Esi+14.3490505,255.2557,14.3490505,2.167592157,2.27708157,1.856906526,2.188348981,2.127846321,2.194219472,2.094024144,-1.244963968,-1.34790781,-1.122153769,-1.216438616,-1.278947094,-1.229212389,-1.255119591
5861,C40 H70 N O8 P,"PE(20:4(5Z,8Z,11Z,14Z)/15:1(9Z)) Esi+11.673008",740.5062,11.673008,0.767737764,0.742233814,0.66597248,0.859294796,0.624037151,0.628135231,0.745598147,-0.490378345,-0.488961332,-0.492068817,-0.472156704,-0.537152493,-0.354919354,-0.577713747
5862,C20 H26 N2 O,Astrocasine,310.2031,5.4410033,1.222941344,1.154157535,1.332869337,1.098636265,1.382717292,0.936021006,1.387796482,-0.701978953,-0.651181302,-0.762579659,-0.553001403,-0.888632125,-0.457151567,-0.859828188
5863,C35 H42 N4 O10,Hv-NCC-1,677.2911,11.834986,1.896881093,1.782226595,1.541431728,1.806932122,1.568502719,1.629800833,1.745531302,-1.499979072,-1.570580772,-1.415752482,-1.498712452,-1.497575276,-1.458660858,-1.526618446
5864,C28 H44 F2 O3,"24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol Esi+12.355973 :1",465.3171,12.355973,1.520358549,1.502283827,1.605176328,1.533202979,1.495218169,1.587844252,1.538379667,0.761205074,0.785800058,0.731863691,0.795771821,0.693674644,0.821413189,0.722386685
5865,C17 H34 N2 O2 S,C17 H34 N2 O2 S,330.235,12.104985,1.594499277,1.481399297,1.644612024,1.663312656,1.505188087,1.444840407,1.628689972,1.253607521,1.231292477,1.280228976,1.332519821,1.176110819,1.293968655,1.22758521
5866,C17 H20 N10 O,C17 H20 N10 O,378.2088,7.266995,0.171585846,0.235784468,0.135396576,0.172214442,0.152007372,0.288038792,0.128136796,0.107576403,0.153130439,0.053231238,0.118119202,0.065499814,0.249165433,0.01628874
5867,C7 H10 O3,3-acetyl-3-methyldihydrofuran-2(3H)-one,142.0631,7.0780025,0.582246012,0.53263056,0.490422575,0.547550611,0.483008108,0.395124267,0.564794172,-0.436544101,-0.457663977,-0.41134846,-0.406248352,-0.485793467,-0.368741691,-0.480258813
5868,C19 H35 N O4,CAY10580 Esi+9.818996 :1,341.2563,9.818996,0.251562639,0.265418508,0.253478104,0.197335707,0.345862432,0.311184492,0.303346723,0.210914442,0.293258086,0.11267992,0.227208592,0.179655863,0.267990232,0.174115577
5869,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+8.957008,511.3272,8.957008,0.461693963,0.508834224,0.374805797,0.650391779,0.168515643,0.289603088,0.485936247,-0.178212793,-0.277905866,-0.059280707,-0.339286719,0.031670461,-0.175559827,-0.179923258
5870,C34 H62 O5,DG(15:1(9Z)/16:1(9Z)/0:0)[iso2],567.4854,16.81299,0.59440285,0.546395586,0.775533215,0.639251281,0.625176009,0.817893268,0.476480996,0.66579257,0.614241819,0.727291711,0.726119268,0.581899202,0.800674333,0.578829328
5871,C40 H80 N O7 P,PE(P-16:0/19:0),739.5427,15.962954,0.110718028,0.413174693,0.538634087,0.063716666,0.066171238,0.163871666,0.015666429,0.005409247,-0.176653986,0.222607491,0.03129349,-0.037302682,-0.025537442,0.025361718
5872,C27 H53 O8 P,PA(12:0/12:0),536.345,15.093014,0.303597075,0.490394108,0.037250535,0.271125849,0.357951889,0.061649409,0.354254602,-0.041971818,-0.132603126,0.066149742,-0.002516034,-0.116925799,0.055020661,-0.104506443
5873,C16 H36 N6 O2 S,C16 H36 N6 O2 S,374.2274,8.12098,0.408782802,0.314106262,0.487331829,0.666253564,0.209538131,0.555553577,0.301035024,-0.588268045,-0.514897955,-0.675797276,-0.778525991,-0.378052367,-0.712469062,-0.508191074
5874,C48 H81 O10 P,"PG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",870.5327,11.831029,0.905900269,0.822218367,0.851398459,0.738897398,0.862230777,0.917726249,0.808388151,0.575101289,0.590991116,0.556145004,0.564248765,0.553636598,0.687034654,0.502933724
5875,C20 H34 O4,"8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid. Esi+13.035986",355.2728,13.035986,1.577798189,1.80613045,1.394710237,1.537843122,1.840458125,2.056305055,1.442840319,-0.85743068,-0.933086911,-0.767174124,-0.855544694,-0.852625622,-0.919738771,-0.817258359
5876,C45 H81 O12 P,"PI(P-18:0/18:3(9Z,12Z,15Z))",844.5538,14.156986,0.417225963,0.279321597,0.529264546,0.528692387,0.235010439,0.233244049,0.526755918,0.310889176,0.226042027,0.412110336,0.342073056,0.269491097,0.165321666,0.404741913
5877,C7 H8 N2 O2,4-Amino-2-nitrotoluene Esi+0.8690022,152.0578,0.8690022,0.137646259,0.355335899,0.227096248,0.404244785,0.179392675,0.528316917,0.144585994,-0.055618872,-0.144355925,0.050242875,-0.092743553,-0.000559454,-0.188827697,0.030265765
5878,C16 H29 N5 O6,Gln Ile Gln,387.2118,4.693985,0.242921457,0.398523769,0.107763966,0.450535165,0.106916863,0.470053592,0.126541219,0.308773815,0.555231403,0.014754235,0.523192633,-0.001316998,0.647814692,0.09018167
5879,C22 H26 O7,Clusin Esi+9.732013,424.1512,9.732013,0.9245617,1.003005346,0.871787273,0.838304246,1.106425681,1.097123166,0.900003101,0.917524687,0.924538513,0.909157315,0.836224075,1.036419866,0.984484124,0.874353471
5880,C38 H63 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) Esi+15.235038",678.4338,15.235038,0.213323031,0.219115586,0.070355582,0.266390037,0.046725316,0.226093964,0.091256894,-0.090502861,-0.130859815,-0.042357723,-0.106318875,-0.074351539,-0.15759509,-0.047246029
5881,C31 H60 N O8 P,PE(14:1(9Z)/12:0),605.4056,12.434016,0.584062935,0.332575522,0.923233892,0.492586753,0.685097779,0.40264762,0.744546443,0.461903822,0.339831248,0.60753426,0.442550726,0.472911091,0.371965469,0.519890391
5882,C11 H28 Cl N11 O4 P S4,C11 H28 Cl N11 O4 P S4 Esi+13.291993,572.0646,13.291993,0.319086071,0.16692982,0.628738465,0.277132261,0.48748568,0.374231703,0.350117528,0.153986225,0.115336703,0.200094428,0.145888089,0.153649289,0.1736603,0.141301624
5883,C10 H20 O7,"2,3-Butanediol glucoside Esi+0.8840018",252.1235,0.8840018,0.123880543,0.426313551,0.318299911,0.15272348,0.052076899,0.118015428,0.135924064,-0.01802795,-0.133096844,0.119247223,-0.034017031,0.00610952,0.036070245,-0.052907048
5884,C37 H62 N14 O S,C37 H62 N14 O S,750.495,12.855973,1.130802933,1.104401328,1.101202054,1.097215302,1.035990411,1.065509237,1.162954515,0.852159801,0.895316542,0.800674566,0.908381217,0.751585009,0.889502954,0.828083294
5885,C41 H65 N18 O,C41 H65 N18 O,825.5607,14.031005,0.47063579,0.594319855,0.328990676,0.645092615,0.267419054,0.44409467,0.481743447,-0.785833509,-0.730530952,-0.85180849,-0.885977154,-0.670261501,-0.632983231,-0.884381715
5886,C21 H44 N O7 P,LysoPE(0:0/16:0),452.2746,13.833007,2.044800084,1.799220882,2.191834928,1.983083257,2.076597377,1.889650909,2.090945095,2.154713982,1.950065253,2.398856325,2.044226132,2.302801297,2.05595058,2.218390386
5887,C54 H78 N6 O10,C54 H78 N6 O10,970.5796,15.211967,2.122052315,2.112076412,1.983741823,2.052312605,2.182017398,2.103181968,2.10735128,-1.925609669,-1.986841315,-1.852561389,-1.8673262,-2.002433991,-1.875853004,-1.957689623
5888,C24 H49 N8 O2,C24 H49 N8 O2,481.3953,14.188978,0.261204057,0.374083634,0.131120746,0.233320043,0.286128986,0.293294043,0.208002589,-0.294089212,-0.377354129,-0.194755627,-0.302019202,-0.285724492,-0.336646478,-0.266650975
5889,C30 H44 O4,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid Esi+14.74196",468.3223,14.74196,0.263924534,0.380630031,0.024799799,0.062639468,0.341675185,0.02620091,0.353318446,-0.0610986,-0.143832279,0.037601228,0.04198511,-0.222388638,0.087333993,-0.156798561
5890,C20 H31 N3 O4,Val Ile Phe,377.2329,10.211011,0.631081589,0.648487421,0.656006044,0.648274286,0.723627921,0.589612594,0.697307086,0.251343423,0.200410233,0.312105824,0.221557544,0.300535793,0.210183485,0.277880751
5891,C38 H72 N2 O12,Azithromycin,747.4989,10.822016,0.597756658,0.582524977,0.54817647,0.677302021,0.579143401,0.395230144,0.683066359,-0.547420802,-0.560662513,-0.531623674,-0.481622546,-0.654067887,-0.302053016,-0.705618454
5892,C9 H15 N2 O15 P3,Uridine triphosphate (UTP) Esi+12.443035 :1,500.9998,12.443035,1.770428207,1.774759004,1.82524791,1.76605581,1.84107014,1.790328539,1.825941679,0.950901972,0.986672296,0.908228602,0.978518445,0.896619606,0.986222009,0.928129842
5893,C35 H42 N4 O10,Hv-NCC-1 Esi+12.063982,677.2895,12.063982,0.751042572,0.647916028,0.797807256,0.72625906,0.647741042,0.629743084,0.683298836,-0.568095504,-0.550270789,-0.589360075,-0.699789549,-0.392266994,-0.669341253,-0.502818639
5894,C27 H32 O8,"8?-Hydroxycarapin, 3,8-Hemiacetal",484.2093,10.081028,1.343142385,1.396435787,1.279602869,1.454356337,1.234329547,1.636839691,1.21953538,1.451373986,1.456081609,1.445757875,1.529889233,1.327062604,1.667189429,1.312229819
5895,C19 H21 F O4,1-Dehydro-9-fluoro-11-oxotestololactone Esi+4.9160056,332.1452,4.9160056,0.158613156,0.221025795,0.005479474,0.207352015,0.43150741,0.149701427,0.103170399,-0.100293721,-0.195990046,0.013870316,0.088530142,-0.345967097,-0.270261191,0.009290569
5896,C32 H42 N2 O2,Docosahexaenoyl Serotonin Esi+6.798988,485.3193,6.798988,0.872146929,0.685323036,1.147792375,0.939616152,0.860510369,0.724114205,0.990199784,-0.516095891,-0.353355236,-0.710242637,-0.464088406,-0.596828806,-0.350035415,-0.623161198
5897,C12 H20 N2 O,Ammodendrine Esi+5.718995,208.157,5.718995,1.46911005,1.573463416,1.338253093,1.488333213,1.603282855,1.704472953,1.392572755,-0.417580476,-0.468072285,-0.357344633,-0.39025339,-0.456820403,-0.468613372,-0.384677688
5898,C24 H38 O5,"3alpha,7alpha,12alpha-Trihydroxy-5alpha-chol-22-en-24-oic acid",406.272,7.4189787,0.78960227,0.689903071,0.912980885,0.874553949,0.723972936,0.635837886,0.869821997,-0.419032908,-0.331707484,-0.523210606,-0.422759143,-0.440029449,-0.298239397,-0.496912934
5899,C32 H2 O14 P,C32 H2 O14 P Esi+11.741965,640.9177,11.741965,1.408861066,1.389298281,1.470603127,1.412008594,1.341910028,1.454170185,1.430078068,0.744992033,0.781045368,0.701981038,0.773474779,0.677463837,0.816394957,0.698955937
5900,C34 H73 N10 O P S4,C34 H73 N10 O P S4,796.4587,13.613022,1.791019752,1.608847824,2.050059548,1.785199516,1.861035463,1.700268249,1.894968176,1.90564595,1.729081283,2.116284501,1.839895292,1.980672868,1.755765976,2.002279091
5901,C8 H10 O3,Vanillyl alcohol,154.0626,4.0380073,0.356448199,0.187892873,0.46622027,0.108666585,0.544778133,0.382431768,0.301181829,0.419822602,0.329413044,0.527679617,0.289658068,0.592947052,0.532716588,0.347035689
5902,C22 H38 O9,C22 H38 O9 Esi+10.135988,446.2516,10.135988,1.286726568,1.21899854,1.492934218,1.393655269,1.242735061,1.39571088,1.253556595,1.705426829,1.542585744,1.899693388,1.687533917,1.7017238,1.664617643,1.731738015
5903,C34 H64 O13,13-sophorosyloxydocosanoic acid Esi+10.088998,680.4293,10.088998,0.943365916,0.888690814,0.845988774,0.970015757,0.680780577,1.059876426,0.7315649,1.088684931,1.117293852,1.05455499,1.275755799,0.805882297,1.349184262,0.920731414
5904,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+8.493016,238.1206,8.493016,0.13063693,0.483795197,0.258023231,0.394423952,0.141346012,0.703227245,0.24060176,-0.101209041,-0.259073799,0.087120847,-0.199881352,0.04556112,-0.353282831,0.061312219
5905,C27 H46 N3 O7,C27 H46 N3 O7,524.3312,13.114012,1.34170189,1.06740206,1.731188256,1.293444356,1.440042849,1.317252337,1.407593335,1.435933852,1.169848955,1.753368466,1.451323697,1.387924005,1.340813138,1.497261681
5906,C36 H68 Cl N8 O S,C36 H68 Cl N8 O S,695.4922,13.763974,0.08288248,0.134425593,0.063499683,0.006706977,0.162647172,0.140521969,0.094121114,0.107779497,0.153688599,0.053010743,0.114898374,0.077304584,0.181782748,0.060066874
5907,C49 H95 O12 P,PI(P-20:0/20:0),928.6455,14.893012,0.323568785,0.311115065,0.32587875,0.280941923,0.233233943,0.088041436,0.400682582,-0.103956792,-0.109139625,-0.097773763,-0.037590746,-0.178036299,0.048872476,-0.202491452
5908,C14 H23 N5 O4,Leu His Gly,325.1749,6.9279866,0.814248268,0.920194931,0.505303596,0.619573462,1.05840739,0.58721408,0.92806722,0.735814952,0.898522325,0.54170791,0.576730257,0.956364112,0.608342735,0.818000986
5909,C22 H24 O5,Kanzonol P,368.1634,12.241968,1.833254977,1.749914973,1.851893675,1.797025886,1.894298028,1.814011267,1.833011431,2.983360731,2.721068443,3.296270829,2.797326624,3.261332504,2.766398359,3.123244365
5910,C46 H66 O6,(2'S)-Deoxymyxol 2'-?-L-fucoside Esi+14.424013,731.5115,14.424013,0.298568409,0.312269622,0.22978742,0.387478516,0.123948253,0.429583546,0.177092626,-0.298471644,-0.411227136,-0.16395632,-0.392429363,-0.166795252,-0.486977888,-0.176934724
5911,C28 H56 N21 O2,C28 H56 N21 O2 Esi+11.730978,718.4932,11.730978,1.173101624,1.157028469,0.950576023,1.183591163,0.99246495,0.972491923,1.139695236,-0.999580906,-1.087175689,-0.895081865,-0.980648539,-0.990004273,-0.806399007,-1.124132393
5912,C31 H40 O11,Sandoricin,605.288,12.042986,0.941020701,1.057430017,0.874369108,1.075458064,0.724743995,0.970730476,0.869785432,-0.533536978,-0.594101687,-0.461284342,-0.648132211,-0.37604109,-0.627433832,-0.472998216
5913,<none>,<none> Esi+14.086972 :1,820.074,14.086972,0.458579258,0.625917577,0.032444264,0.474573998,0.228947798,0.340982987,0.379105546,-0.145734728,-0.241419648,-0.031584296,-0.126822802,-0.170506211,-0.106122359,-0.171274281
5914,C23 H34 N2 O2,Methyldopexamine,369.2541,7.6719975,1.141750134,1.085975563,1.203249905,1.284501584,0.938953499,1.072603861,1.133604158,-0.556699432,-0.503043325,-0.620710226,-0.583042997,-0.53786046,-0.46800007,-0.613887178
5915,C48 H85 O9 P,"PG(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",836.5887,11.18701,0.463863215,0.444535299,0.442446844,0.506355125,0.320113853,0.607188086,0.350665452,0.344264889,0.379636398,0.3020673,0.420050023,0.20871196,0.499124855,0.244420964
5916,<none>,<none> Esi+11.383033,548.7051,11.383033,0.954058478,0.759279486,1.106810293,1.014263762,0.76784437,0.95582912,0.885937865,0.563345229,0.503817729,0.634360492,0.622406001,0.452488497,0.630673849,0.519935987
5917,C13 H19 Cl N2 O2,Chloroprocaine Esi+5.3530154,270.1123,5.3530154,0.821235962,0.625007483,1.212037694,0.74348067,0.865079037,0.679738497,0.97003972,0.382860754,0.288586823,0.495327901,0.376177715,0.379160398,0.369693464,0.391350192
5918,C36 H60 N4 O5 S,Carbaprostacyclin-biotin Esi+14.224049,682.4073,14.224049,0.910933911,0.777462729,0.932518521,0.862361288,0.848695722,0.774924294,0.927913879,0.533918679,0.496313982,0.578780422,0.530659591,0.535702318,0.491191224,0.561466643
5919,<none>,<none> Esi+12.760009 :2,611.753,12.760009,0.790988163,0.860606843,0.576826797,0.852607913,0.561997583,0.744418159,0.735493828,-0.321355979,-0.397445764,-0.2305822,-0.321540054,-0.339241563,-0.329516374,-0.316094671
5920,C29 H26 O12,Gladiatoside C1,583.1639,2.6770017,1.127367372,0.996978305,1.126558705,1.05400989,1.166524091,1.040612045,1.117845921,-0.684325316,-0.604176688,-0.779941224,-0.654299713,-0.704493368,-0.628274665,-0.720463236
5921,C26 H51 N8 O4 P,C26 H51 N8 O4 P,569.3637,13.162034,1.745413296,1.617245912,1.884773766,1.825778011,1.659650318,1.691409852,1.774773783,2.308814146,2.212666146,2.423517024,2.351533068,2.228958116,2.2106346,2.372114117
5922,C19 H30 N6 O7,C19 H30 N6 O7 Esi+9.516992,454.2177,9.516992,1.417525095,1.358735222,1.362175896,1.388145175,1.348946957,1.549716656,1.306996127,2.539991455,2.532769079,2.548607623,2.638938441,2.368228331,2.78352287,2.382977779
5923,C30 H65 N7 O4 P,C30 H65 N7 O4 P Esi+16.24297,618.4777,16.24297,0.973195903,1.04489469,0.724209699,0.915826138,0.932931111,0.877042767,0.897477664,-0.59575544,-0.746759813,-0.415609873,-0.572858257,-0.627406102,-0.620663491,-0.579696302
5924,C44 H85 O12 P,PI(P-20:0/15:0) Esi+12.610028,835.5681,12.610028,0.274326983,0.338471371,0.034384778,0.330603581,0.058586079,0.135514454,0.273850018,-0.074265355,-0.130894662,-0.006707585,-0.083921697,-0.085160383,-0.022078645,-0.107912049
5925,C32 H40 N4,Borreverine,479.3186,7.9429936,0.707033959,0.678858221,0.779868209,0.958532101,0.436164814,0.997202519,0.515844092,-0.856874923,-0.802481058,-0.921765851,-1.069210727,-0.577671857,-1.127146013,-0.682621195
5926,C45 H71 N12 O P,C45 H71 N12 O P,826.5751,14.493963,0.416518545,0.312559139,0.352306444,0.302553411,0.39761218,0.268788672,0.38030714,-0.290783887,-0.256025726,-0.332249762,-0.194419219,-0.447957698,-0.221702374,-0.335323283
5927,C30 H50 O6,Theasapogenol A Esi+13.781005,506.3657,13.781005,0.171748352,0.319708004,0.072509582,0.222612669,0.047152923,0.096423689,0.127539957,-0.064635033,-0.223581607,0.124985441,-0.128913481,0.018218103,-0.049954887,-0.074099864
5928,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside Esi+8.885988 :1,603.4134,8.885988,0.63178785,0.534844468,0.810014977,0.809487957,0.421276299,0.629910884,0.600046357,-0.360767158,-0.241984788,-0.502472441,-0.401881166,-0.3311337,-0.269239453,-0.419778441
5929,C44 H57 N O4,Zucchini factor B,663.4317,10.871002,0.719359113,0.801401947,0.589743181,0.692636516,0.603052515,0.87786513,0.601317664,0.304957712,0.384699,0.209827755,0.334433269,0.241531758,0.428135063,0.225540736
5930,C48 H89 O13 P,"PI(17:0/22:2(13Z,16Z))",903.5926,14.397966,1.430535562,1.485968514,1.202785629,1.477994423,1.218244398,1.409442019,1.400392176,-1.072077088,-1.222416701,-0.892724566,-1.024650499,-1.100486719,-1.067348627,-1.0751257
5931,C12 H24 N2 O4,Carisoprodol,277.2012,10.81201,0.007107802,0.077532792,0.160853769,0.100637686,0.076435428,0.102266351,0.076124731,0.007658083,0.02180218,-0.009215576,0.077636291,-0.082464183,0.003303835,0.010465428
5932,C27 H Cl3 N2 O3 S5,C27 H Cl3 N2 O3 S5,665.7655,5.7999973,1.899207507,1.797008599,1.857403027,1.693815817,2.099622449,1.711143414,1.962102285,1.481753569,1.502610577,1.456871523,1.31417268,1.736396792,1.444040986,1.50606826
5933,C35 H54 O9,"2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol Esi+13.452958",640.3584,13.452958,1.331979919,1.248758426,1.441900007,1.454581942,1.263439419,1.386492228,1.344372239,1.052256481,0.966588651,1.154456699,1.093857436,0.977338993,1.0374543,1.061799992
5934,C34 H48 O P,C34 H48 O P,501.3376,13.639976,1.373984042,1.244735334,1.294467886,1.234633983,1.335502189,1.174771262,1.338090507,-1.072117779,-1.089623797,-1.051233406,-0.958544708,-1.213518264,-0.988451263,-1.126060664
5935,C25 H33 N O7,Lankacidin C,459.2262,11.218995,1.698927698,1.698992168,1.971790196,1.804618708,1.952984046,1.926868658,1.769929721,1.637234616,1.413064377,1.904665778,1.548779299,1.81312306,1.481916291,1.737374063
5936,C9 H12 N2 O6,Pseudouridine Esi+1.1799967,244.0697,1.1799967,0.452288448,0.691383247,0.092716386,0.439359649,0.327256409,0.58651455,0.349777699,0.647884616,0.81072248,0.453621901,0.694483359,0.573576367,0.756659235,0.577753612
5937,C43 H75 Cl2 N2 O2 S,C43 H75 Cl2 N2 O2 S,753.4919,11.350012,1.03788228,0.912946429,1.058657403,0.915065734,0.945195185,0.893196348,1.014076821,0.749749551,0.776087146,0.718329262,0.786737396,0.669063165,0.837561034,0.693134253
5938,C18 H32 N O2 P,C18 H32 N O2 P,325.2176,5.6939807,0.188397556,0.027904232,0.54329193,0.158445236,0.286171063,0.025547309,0.315468392,-0.116777094,0.013625745,-0.272345394,-0.066124398,-0.206314296,0.018792708,-0.20418394
5939,C9 H15 N O3,Otonecine Esi+4.278011,185.1052,4.278011,1.368720084,1.30935881,1.392636961,1.258521743,1.540061749,1.271507486,1.433850796,2.021296007,1.778270437,2.311221248,1.886822146,2.288773372,1.810585798,2.157148642
5940,C31 H55 N9 O11,C31 H55 N9 O11,729.4021,5.484006,0.035379702,0.096338479,0.212388564,0.065056729,0.092415609,0.17584449,0.128362682,-0.033863334,0.064064556,-0.150689588,-0.080992615,0.023678748,0.064874153,-0.097523029
5941,C42 H62 O11,Avermectin A1a monosaccharide Esi+13.025955,759.4565,13.025955,0.479562407,0.837120672,0.347596761,0.538084416,0.23964479,0.633524409,0.301223331,-0.145171777,-0.347869492,0.096643042,-0.171760351,-0.105527933,-0.248416199,-0.078606294
5942,C44 H77 O8 P,"PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+9.10099",763.5279,9.10099,0.482072048,0.4646777,0.520681013,0.70295434,0.201960504,0.554757864,0.398563569,-0.389344928,-0.32411962,-0.467157576,-0.462749936,-0.312203542,-0.333071721,-0.425626338
5943,C15 H25 N5 O20 P4,N1-(5-Phospho-D-ribosyl)-ATP Esi+12.508038,718.9961,12.508038,0.220653633,0.253983369,0.049187774,0.253529674,0.088451227,0.083854777,0.191191457,-0.043142256,-0.064726211,-0.017392975,-0.012770477,-0.103318542,0.032518337,-0.091923427
5944,C51 H85 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) Esi+12.924013",935.5608,12.924013,0.116888166,0.278576248,0.877323259,0.140802193,0.268568186,0.004211088,0.281500342,0.10397568,-0.084527213,0.328856324,0.1012164,0.114718786,0.010433922,0.164285497
5945,C29 H57 O10 P,L-Phosphatidic acid,613.3935,12.909975,1.640683287,1.603174274,1.667627726,1.505834076,1.833853819,1.649183373,1.690596683,0.983641002,1.06597814,0.885414241,0.947473784,1.022931698,0.998114061,0.974309688
5946,C17 H35 N,(-)-Solenopsin A Esi+11.990983,275.2608,11.990983,0.103959766,0.162250622,0.048781989,0.00724934,0.205654024,0.287050119,0.012250855,0.002211487,0.025014458,-0.024992057,0.10546107,-0.130998585,-0.029363282,0.022568904
5947,C18 H32 O4,8-HpODE Esi+13.540024,312.2295,13.540024,0.051791511,0.177583944,0.101904053,0.038895638,0.10177143,0.085673032,0.131214563,0.0137701,-0.058823225,0.100372664,0.050634564,-0.022951042,0.069099681,-0.021902919
5948,C26 H28 N6 O4,His Phe Trp,488.2205,6.4910007,0.539192721,0.501420481,0.49595275,0.388835139,0.649312984,0.162924834,0.708849816,-0.54571529,-0.572117247,-0.51421822,-0.42383753,-0.72950661,-0.295314851,-0.707157679
5949,C12 H24 N2 O3,Ile Ile Esi+4.831003,244.1782,4.831003,0.934053702,0.931978939,0.89178856,0.889563371,0.943483587,0.912907959,0.891453693,0.72766006,0.716035214,0.741528298,0.663122621,0.831451765,0.738025548,0.720977048
5950,C15 H17 Cl N2,Monodesmethyl chlorpheniramine,282.0879,5.74199,0.716213845,0.632786631,0.695990591,0.733776978,0.511165042,0.71239011,0.646187678,0.653632886,0.58631381,0.733943362,0.763399056,0.468720284,0.729638269,0.604629415
5951,C33 H6 N3 O13 P,C33 H6 N3 O13 P,682.9645,14.236026,1.006848307,0.952046727,1.010330714,0.926310002,0.968357052,1.176477217,0.853632683,0.605713998,0.613477595,0.596452163,0.578041729,0.636348829,0.740773148,0.518636389
5952,C20 H28 N3 P,C20 H28 N3 P,341.2069,5.466998,0.123798692,0.111829199,0.140884316,0.145812933,0.088370105,0.344151929,0.01770293,0.019261394,0.055630511,-0.024126323,0.106899146,-0.067140355,0.297417314,-0.160075975
5953,C14 H22 O6,C14 H22 O6 Esi+5.8859897,286.1394,5.8859897,0.125206919,0.341073089,0.154167697,0.094936897,0.247000139,0.093323976,0.26377108,0.094234173,0.315334869,-0.169535078,0.088309861,0.10086388,0.003645007,0.152640346
5954,C8 H14 N5 O6,C8 H14 N5 O6,276.0954,6.3809896,0.048807673,0.067674365,0.03897459,0.084555983,0.023321359,0.110771584,0.029140319,0.007407567,0.025915081,-0.014671573,0.077958696,-0.101292142,0.070368982,-0.033185977
5955,C24 H27 N5 O6,Tyr Tyr His,498.228,10.363008,2.067037539,1.945301805,2.187353534,2.019388,2.136642231,2.093447383,2.068671652,3.577967377,3.441746492,3.740476503,3.459281056,3.699438221,3.593576814,3.567903398
5956,C16 H7 Cl2 O12 P S5,C16 H7 Cl2 O12 P S5,650.7826,13.303971,0.086277903,0.105311266,0.072737697,0.119367907,0.120094429,0.054417207,0.073172247,0.022458275,-0.000278731,0.049583123,0.006792186,0.028841928,0.04823586,0.005838516
5957,C23 H28 O9,Dichotosin,448.1706,8.458007,0.375953801,0.335861556,0.330694672,0.326161957,0.404540082,0.331766932,0.392930938,0.254233662,0.250562536,0.25861325,0.189065353,0.320100473,0.223334248,0.274155652
5958,C12 H24 N6 O4,Ala Ala Arg,316.1866,6.037996,0.293176582,0.170612219,0.418309585,0.103210394,0.47957951,0.330949482,0.220334276,-0.192383611,-0.104289325,-0.297478549,-0.100200924,-0.339681998,-0.203764981,-0.185045622
5959,C28 H30 N2 O2,Darifenacin Esi+10.072017,448.2075,10.072017,0.42440995,0.299234098,0.518640839,0.356833971,0.339885249,0.6125988,0.24874066,0.358824861,0.290621501,0.440190273,0.406674079,0.279063158,0.545018726,0.238778816
5960,C26 H55 O8 P,PG(O-20:0/0:0),525.3447,13.155025,0.501880776,0.580313583,0.609109225,0.487504292,0.844962804,0.686337884,0.551869128,0.352512279,0.338147342,0.369649396,0.36069193,0.381822207,0.415318724,0.312018649
5961,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+10.538991 :1,865.5949,10.538991,0.188479359,0.123299014,0.334652968,0.155928035,0.227627518,0.344116986,0.142115844,0.105192476,0.103352881,0.10738708,0.129886642,0.046089128,0.207526539,0.039213934
5962,C30 H50 O6,Theasapogenol A Esi+14.521977,506.3607,14.521977,0.01059826,0.110699033,0.275613301,0.033701705,0.106643169,0.189784261,0.21348483,0.286109761,0.160688376,0.435735274,0.394431313,0.100080994,0.071656666,0.424375572
5963,C26 H19 N5 O13 S4,C.I. Food Black 2 Esi+11.206029,735.9771,11.206029,0.648315246,0.724296745,0.449432234,0.439810982,0.699886121,0.909209771,0.454187733,0.341771549,0.429458445,0.23716262,0.321384585,0.348870726,0.527089437,0.222290278
5964,C25 H30 O7,Lonchocarpol B Esi+12.142022,442.1999,12.142022,0.980343419,0.801892885,1.183494965,1.036237596,0.845713368,1.049040339,0.926711653,0.86706263,0.6775258,1.093176744,0.931838078,0.797846346,0.903937962,0.843287745
5965,C30 H57 O8 P,PA(15:1(9Z)/12:0) Esi+11.747005,576.3843,11.747005,1.153053741,1.256660562,1.063666948,1.223149899,0.983752418,1.299355009,1.108614183,0.618263551,0.713900133,0.504170787,0.683755071,0.497709913,0.747186915,0.535141909
5966,C21 H39 N O6,Sphingofungin F,401.2773,13.679988,0.311376993,0.534916964,0.045479474,0.361267979,0.218845679,0.167835003,0.329769321,-0.064233147,-0.2085909,0.107983119,-0.059457226,-0.083811954,0.003408629,-0.107844292
5967,C40 H72 N O9 P,"PS(P-16:0/18:3(9Z,12Z,15Z))",741.4966,10.329007,0.745102981,0.677765777,0.757300392,0.906849015,0.482542675,0.567005652,0.763484914,-0.36936768,-0.336222824,-0.408908913,-0.402312889,-0.340818414,-0.260169558,-0.439771733
5968,C24 H36 O5,Lucidone C,404.2563,14.266044,0.260518662,0.220403317,0.289920353,0.231627574,0.231582106,0.383554519,0.166345947,-0.159255767,-0.174830694,-0.140675152,-0.163628527,-0.135193894,-0.240886926,-0.10662515
5969,C36 H50 O5,"11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrocholecalciferol Esi+12.436016",584.3634,12.436016,0.505090567,0.858139375,0.181239018,0.459253818,0.55115004,0.943240231,0.308716005,0.392224353,0.639702483,0.096987285,0.370795985,0.391845788,0.689790649,0.200372399
5970,C35 H60 N7 O,C35 H60 N7 O Esi+16.241959,594.4851,16.241959,1.329096292,1.427959589,1.135905221,1.343141255,1.297945698,1.437148114,1.223251296,-1.258016486,-1.497869884,-0.97187559,-1.169325408,-1.392546281,-1.363920496,-1.189736268
5971,C32 H4 N5 O16,C32 H4 N5 O16,713.9647,12.102031,1.681669359,1.675887303,1.601998383,1.513517966,1.707110174,1.446839056,1.807932494,1.850252737,1.921293397,1.765502474,1.866751885,1.795933047,1.779257079,1.896026252
5972,C13 N O22 P,C13 N O22 P Esi+11.974038,552.8653,11.974038,2.009304634,2.072037096,2.037076348,2.067369034,2.060824191,2.047719398,2.097116988,1.25193606,1.315835858,1.175704722,1.295559515,1.165970001,1.279924404,1.233890943
5973,C32 H50 O7,Hovenidulcigenin B Esi+10.565998,546.353,10.565998,1.004301097,0.89303717,1.177575271,1.2582002,0.796858533,0.987331865,1.026177857,-0.746760531,-0.621974775,-0.895627749,-0.814888437,-0.686967256,-0.628947431,-0.822718978
5974,C34 H51 N5 O S,C34 H51 N5 O S,575.3788,11.885988,0.312103491,0.154848025,0.467573382,0.354214344,0.340242551,0.092022475,0.526697811,-0.222679483,-0.105945759,-0.361940768,-0.197713063,-0.297501897,0.043864959,-0.394530504
5975,C40 H77 O10 P,PG(16:0/18:1(9Z))[U] Esi+13.990981,747.5326,13.990981,0.174073681,0.143464124,0.251152649,0.230617023,0.077898766,0.390613291,0.008588587,0.235238401,0.218619587,0.255064354,0.316609888,0.110184187,0.403596252,0.126691891
5976,C23 H45 O7 P,PA(20:1(11Z)/0:0),464.2888,14.354003,0.836827677,0.900660448,0.512307253,0.770615887,0.833006125,0.653502185,0.857552945,-0.55227563,-0.754647497,-0.310849543,-0.451338231,-0.718400986,-0.511189037,-0.57876567
5977,C34 H69 O9 P,PG(O-16:0/12:0) Esi+13.957018,651.4656,13.957018,0.770934354,0.738291854,0.759215304,0.800333101,0.712717845,0.753938649,0.77876221,-0.457481953,-0.462772856,-0.451169999,-0.448438105,-0.475768934,-0.441423007,-0.467835748
5978,C12 H8 O3,5-Methylangelicin Esi+3.6459966,222.0294,3.6459966,0.43041194,0.236851274,0.593144541,0.277096026,0.351909338,0.465037683,0.332576246,0.322231178,0.164199486,0.510760214,0.316878941,0.324785405,0.3590484,0.298493759
5979,C41 H60 N4 O8,Antanapeptin A Esi+14.416014,736.4426,14.416014,0.019223816,0.166648938,0.160726651,0.054500068,0.160437014,0.060050627,0.013284422,0.060201407,-0.042305401,0.182490232,0.15876849,-0.087730825,0.104488479,0.031647901
5980,C36 H44 N4 O,Manzamine A Esi+13.105972,547.3495,13.105972,0.547232602,0.74813205,0.289310435,0.4202179,0.707350683,0.498432751,0.559225089,0.277584327,0.381157152,0.154023764,0.198281679,0.370308751,0.23982816,0.301927119
5981,C31 H65 Cl N4 O3,C31 H65 Cl N4 O3,576.4752,16.052982,0.920807994,1.043711694,0.553167389,0.904895347,0.71942474,0.855514325,0.807095574,-0.710973776,-0.979468009,-0.390664866,-0.73640595,-0.660087247,-0.766173117,-0.675384728
5982,C12 H20 N2 O7,2'-Deoxymugineic acid,304.128,7.808986,0.414542733,0.288505896,0.474134889,0.391403225,0.386853887,0.386906552,0.414578845,0.207096312,0.183995634,0.234655015,0.176268247,0.228797157,0.175358468,0.227558869
5983,C30 H50 N9 O3,C30 H50 N9 O3 Esi+14.82903,582.3886,14.82903,0.400851028,0.509967436,0.188371305,0.356023243,0.376333716,0.35998276,0.360553234,-0.36798337,-0.502152702,-0.207921711,-0.37116907,-0.362080858,-0.381866763,-0.359032236
5984,<none>,<none> Esi+13.222972 :1,508.6913,13.222972,0.158110575,0.01202878,0.488294628,0.077302307,0.39839719,0.179833252,0.244464989,0.08570769,0.04312179,0.136511922,0.074526562,0.093120447,0.09272508,0.08118332
5985,C13 H26 O6,(x)-2-Heptanol glucoside,278.1719,5.755004,1.391182572,1.487642641,1.178224935,1.543427217,1.324339516,1.467890692,1.387377759,-0.53335974,-0.634114103,-0.413161551,-0.559139536,-0.513218834,-0.552499943,-0.521019346
5986,C34 H8 N3 O15 P,C34 H8 N3 O15 P,728.9697,10.760008,0.609953813,0.682956325,0.478487748,0.549262868,0.563691762,0.768309874,0.476003089,0.299773481,0.373685761,0.211597428,0.316977411,0.251960196,0.431194543,0.215041481
5987,C20 H28 N8,"Bis(3-azidopyridinium)-1,10-decane perchlorate",397.2667,6.4439807,0.702146095,0.524627951,0.863327366,0.64928761,0.686016117,0.567954736,0.710597436,-0.516820299,-0.351751192,-0.713744847,-0.462223661,-0.6158088,-0.377399449,-0.606710057
5988,C27 H37 F O6,? Methasone valerate Esi+7.3530188,476.2584,7.3530188,0.331364557,0.019120284,0.615608006,0.38425084,0.341080204,0.218924186,0.39933267,-0.291866159,-0.077520447,-0.547576833,-0.351925745,-0.235902263,-0.209519573,-0.344958037
5989,C30 H52 O10,C30 H52 O10 Esi+13.583986,572.3645,13.583986,0.609320239,0.692528852,0.36770736,0.480829602,0.684889478,0.4849419,0.63475712,-0.467960639,-0.657412822,-0.241947509,-0.274666391,-0.744376155,-0.37492946,-0.527941268
5990,C24 H44 O7,2-Stearyl citrate Esi+14.125981,444.3094,14.125981,0.64046112,0.473025155,0.852692843,0.4601738,0.806976898,0.789223804,0.533532584,0.478242525,0.388538366,0.585258013,0.39307869,0.580750352,0.57605955,0.415176286
5991,C23 H49 N8 O2 P,C23 H49 N8 O2 P,500.3703,15.081038,0.585681263,1.021211114,0.063408832,0.809264198,0.460395877,0.983935823,0.398543022,-0.438208683,-0.738418695,-0.080063406,-0.513993318,-0.327585664,-0.566620264,-0.355417006
5992,C19 H50 N11 O S,C19 H50 N11 O S,480.3839,14.808025,0.917843068,1.133117877,0.597320248,1.249442425,0.584210765,1.139271257,0.765816396,-0.805913608,-1.015838491,-0.555476905,-0.986783741,-0.585112205,-0.926800417,-0.727973428
5993,C33 H37 O,C33 H37 O,449.286,11.743989,1.676825036,1.723006768,1.58103079,1.744420715,1.522708369,1.699905984,1.648051909,1.614360454,1.612391627,1.616709229,1.59358196,1.613286823,1.581751236,1.635384818
5994,C27 H55 Cl N6 P S,C27 H55 Cl N6 P S,561.3639,10.07398,0.888551753,0.858989877,0.798105586,0.725976959,0.993105432,0.746035252,0.88312697,0.533024141,0.583456424,0.472859312,0.455748092,0.631932264,0.564098261,0.512989511
5995,C43 H89 N11 O13,C43 H89 N11 O13,967.6646,10.125,0.457374556,0.435239437,0.448736339,0.625497163,0.23558896,0.186740218,0.582003123,-0.231821584,-0.196608156,-0.273830586,-0.23614139,-0.249100194,-0.039257159,-0.355974963
5996,C15 H24 N O,C15 H24 N O,234.1827,8.354987,0.635269716,0.854921826,0.544851224,0.558964925,0.860082611,0.588691605,0.686082041,-0.87159573,-1.109292576,-0.588027562,-0.694054662,-1.104562697,-0.805989669,-0.913894374
5997,C14 H28 N6 O4 S,Arg Val Cys,398.1723,10.697999,2.066462137,1.984233532,2.352911311,1.984668598,2.331088076,2.131784682,2.122242293,2.569655448,2.338707968,2.845171739,2.352913825,2.865073041,2.6185538,2.538128878
5998,C28 H45 N9 S,C28 H45 N9 S,539.3676,10.099022,0.953661174,0.966563338,0.808638064,0.825133268,0.979086161,0.90247875,0.833936265,0.701326302,0.80076621,0.582696236,0.67410633,0.806220434,0.809693064,0.631458258
5999,C42 H67 Cl3 N4 O,C42 H67 Cl3 N4 O,748.4369,15.236029,0.038465372,0.205856375,0.203567012,0.032435623,0.034184401,0.083012939,0.055088813,0.024215872,-0.128754132,0.206706403,0.066922618,-0.044052687,0.125414761,-0.04103078
6000,C32 H60 N O10 P,PS(14:1(9Z)/12:0) Esi+8.541014 :1,666.4159,8.541014,0.470881363,0.691497794,0.115154025,0.451520752,0.344335511,0.671253589,0.308479815,0.196267365,0.336238447,0.02928432,0.231183615,0.124941441,0.344208208,0.100884453
6001,C43 H71 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z)) Esi+15.071031",778.4859,15.071031,0.520510393,0.564788097,0.407678091,0.538724345,0.312030207,0.573796148,0.350507677,-0.373385897,-0.425009509,-0.311799833,-0.341412731,-0.409740369,-0.417415333,-0.344998498
6002,C47 H84 N O10 P,"PS(19:0/22:4(7Z,10Z,13Z,16Z)) Esi+13.662037",852.5785,13.662037,1.278586974,1.236937339,1.300252174,1.248480065,1.20498344,1.394921399,1.201728904,0.802149935,0.838390723,0.758915311,0.825057025,0.746975889,0.942729366,0.711513198
6003,C28 H49 N12 O,C28 H49 N12 O,569.41,11.213011,1.442561685,1.356536262,1.517186513,1.337689501,1.660320101,1.298987939,1.540287905,-2.518014913,-2.508225315,-2.529693731,-2.143226465,-3.132742953,-2.154093111,-2.752648706
6004,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+15.053969 :1",734.4212,15.053969,0.330377149,0.139769054,0.559431912,0.344905081,0.277035136,0.441768093,0.278287808,0.350208434,0.224477448,0.500203294,0.399502982,0.285368011,0.469873482,0.273055969
6005,C24 H50 N O7 P,PE(19:0/0:0) Esi+12.382006,495.339,12.382006,0.839996734,0.803548948,0.797490049,0.803813437,0.729203618,0.871412273,0.767386572,0.71186322,0.695112556,0.731846467,0.740882691,0.652470912,0.788148378,0.662679368
6006,C28 H52 N2 O3,C28 H52 N2 O3 Esi+13.324969,464.3968,13.324969,1.579295289,1.72293177,1.244278798,1.417608405,1.721966272,1.690177562,1.537790533,-0.905999172,-1.072364606,-0.707528128,-0.86534167,-0.972472118,-0.951743511,-0.876506111
6007,C25 H36 O8,Erinacine G Esi+10.968013,464.2385,10.968013,0.083026664,0.332067308,0.203140561,0.206149658,0.021778686,0.287567469,0.014626087,0.11453984,-0.306590875,0.616941395,-0.026187111,0.344498124,-0.221578102,0.33124746
6008,C20 H41 N8 O5,C20 H41 N8 O5,471.3038,6.245981,0.556952152,0.404621877,0.808315907,0.576180592,0.557219306,0.331224718,0.683300487,-0.264492774,-0.160817584,-0.388175456,-0.230667182,-0.326875254,-0.125772139,-0.353931078
6009,C15 H20 O7,3-Hydroxychavicol 1-glucoside,312.1196,6.4820156,0.848520058,0.827345291,1.020185592,0.974962277,0.723512987,0.939786958,0.774147229,0.434942781,0.337889774,0.550725316,0.497171249,0.362088676,0.417803152,0.445993331
6010,C42 H53 N7,C42 H53 N7,655.4382,12.714033,1.493854102,1.395387434,1.698602489,1.485177186,1.518800453,1.524796222,1.545245915,0.721309849,0.708067814,0.737107365,0.739057544,0.678147242,0.769317428,0.690357594
6011,C33 H64 N O8 P,PE(16:1(9Z)/12:0),633.4435,13.194984,2.141814546,2.003185855,2.264496392,2.128423052,2.158834729,1.979285864,2.243996625,1.465489908,1.359219654,1.592268458,1.438041622,1.504112712,1.353615978,1.537619153
6012,<none>,<none> Esi+11.063982 :1,472.8105,11.063982,1.542591533,1.553915612,1.559816416,1.521338786,1.531704437,1.567854889,1.559126781,0.826524786,0.881365057,0.761101305,0.840950871,0.777861067,0.884160973,0.789364613
6013,C27 H47 N7 O6,JSTX-3 Esi+12.476012,582.3891,12.476012,1.191209714,1.155587242,1.247179022,1.269628875,1.129941156,1.181248034,1.215619561,-0.987833737,-0.799561,-1.21243981,-0.967193546,-1.044889903,-0.800324549,-1.108727819
6014,C24 H41 N3 O3,N-oleoyl histidine Esi+6.6550193,441.2931,6.6550193,0.663195248,0.464925393,0.955492557,0.677622681,0.671781009,0.531070338,0.760820145,-0.433766541,-0.297411963,-0.59643516,-0.375075195,-0.537207602,-0.312891925,-0.511698859
6015,C22 H33 N5 O4,Lys Val Trp,431.252,12.689968,2.138736247,1.968689984,2.388807567,2.105760086,2.31184933,2.091503403,2.225375346,1.943161531,1.674018294,2.264244691,1.811473864,2.128449761,1.781048884,2.047681527
6016,C26 H44 N6 O3,C26 H44 N6 O3,488.3477,14.949967,1.399504034,1.580506371,1.113929283,1.489016133,1.261029478,1.460554784,1.336878339,-1.090454788,-1.378093213,-0.747307192,-1.11907768,-1.060788888,-1.13514762,-1.061639672
6017,C26 H39 N3 O3,N-arachidonoyl histidine,441.2935,8.947999,0.839352862,0.727639872,0.93316873,0.85169448,0.829440925,0.55715432,0.954979326,-0.677670942,-0.469699804,-0.92577686,-0.61044782,-0.803649971,-0.40217098,-0.855295916
6018,C13 H19 N O2,2-(diethylamino)-4'-hydroxy-Propiophenone,221.1411,4.8989964,0.690110622,0.746474956,0.513450182,0.717406701,0.654056837,0.576179224,0.677059726,-0.407058482,-0.506558554,-0.288356642,-0.389752059,-0.433142037,-0.396751878,-0.41370353
6019,C10 H16 O3,Ascariadole epoxide,184.1104,6.0520015,0.350692512,0.268037095,0.457453789,0.330883102,0.350623856,0.418636597,0.3440221,0.542507754,0.520769847,0.568440695,0.640751244,0.431310771,0.616815547,0.494598782
6020,C25 H51 O9 P,PG(19:0/0:0),526.3227,11.508034,0.834212732,1.011613849,0.712497243,1.194871491,0.584215919,1.10946553,0.727439176,0.892186638,0.998184445,0.765733113,1.168074074,0.593478085,1.115651149,0.748110835
6021,C25 H51 O7 P,PA(22:0/0:0) Esi+12.827959,494.3351,12.827959,1.232767169,1.319457504,1.186095553,1.285639078,1.234926971,1.229950403,1.287399228,1.000500648,1.057294353,0.932746754,0.959303014,1.072108281,0.953461079,1.030828791
6022,C24 H35 N O2,N-Arachidonyl Maleimide,369.2721,7.887973,0.590070736,0.781301813,0.308799505,0.739887245,0.306669541,0.845631369,0.38154027,-0.515520711,-0.566388267,-0.454836609,-0.674345138,-0.315676941,-0.70054313,-0.396229941
6023,C49 H87 N O17,C49 H87 N O17 Esi+14.111023,961.5987,14.111023,1.411467679,1.576912462,1.032478399,1.517050771,1.131101789,1.535136664,1.259542931,-1.33979151,-1.62574466,-0.998654419,-1.398060427,-1.25520461,-1.469587957,-1.256106959
6024,C39 H74 Cl2 N25 O2,C39 H74 Cl2 N25 O2,994.5854,14.122013,0.080273272,0.203582972,0.145745918,0.060745689,0.074919292,0.035489987,0.027284422,0.028004274,-0.062231275,0.1356537,0.053883113,-0.026814691,0.045622421,0.016645205
6025,C23 H34 O S,C23 H34 O S,358.2255,9.431009,0.336700837,0.343139386,0.377978339,0.205711342,0.507269659,0.4006936,0.364080938,-0.561917961,-0.537070883,-0.59156009,-0.516780928,-0.665436176,-0.60744835,-0.532562842
6026,C12 H20 O5,"Polyethylene, oxidized Esi+6.338991 :2",244.1308,6.338991,0.427011132,0.371148473,0.548988047,0.422060527,0.40841883,0.435655754,0.470130604,0.330630897,0.240625014,0.438006337,0.34400412,0.302348137,0.32193933,0.336234671
6027,C29 H36 N4 O4,Ceanothine B,504.2711,10.305012,0.333109991,0.392091625,0.302612387,0.12281845,0.524999934,0.586806696,0.232373968,0.474941179,0.643384518,0.27399123,0.416238215,0.557684647,0.783072038,0.276277862
6028,C22 H45 N O,Docosanamide Esi+11.8049965,339.3497,11.8049965,0.194193392,0.382769092,0.075260139,0.230592963,0.135822552,0.204756889,0.179430196,-0.047536492,-0.121180349,0.040319337,-0.030958454,-0.073488475,-0.000317461,-0.077980342
6029,C13 H24 N O6,3-Methylglutarylcarnitine Esi+5.0360084,267.1717,5.0360084,0.03125639,0.136244629,0.068927896,0.242977076,0.232235941,0.145867584,0.035613107,-0.061480928,-0.128045089,0.017928948,-0.202759078,0.13549142,-0.121730043,-0.022636104
6030,C15 H39 N14 O7,C15 H39 N14 O7,527.3119,9.156005,0.09638383,0.275344545,0.035385101,0.019730983,0.480669551,0.142510603,0.129109931,0.014702949,0.154050508,-0.151536245,-0.265182204,0.382425488,-0.131085357,0.10869804
6031,C44 H94 N6 O8 S3,C44 H94 N6 O8 S3,928.619,12.906005,0.416648916,0.258264288,0.62693429,0.329815869,0.414251658,0.507309344,0.351032626,0.342864306,0.299961324,0.39404681,0.373451488,0.274722363,0.459649867,0.267568352
6032,C40 H76 O12 S,SQDG(16:0/14:0),780.5049,11.885989,1.288414516,1.390397838,1.251482974,1.351447673,1.165394273,1.496010135,1.226257259,0.601039028,0.66127999,0.529172618,0.637183633,0.523332449,0.705566152,0.533646541
6033,C32 H60 O19,Hypromellose Esi+5.3170075,748.3743,5.3170075,1.005501419,1.074480324,0.73264931,0.986407405,0.942082168,0.746370152,1.006077626,1.068927969,1.142730484,0.980882864,1.127240905,1.046692398,0.916259418,1.167359009
6034,C21 H3 O17 P S,C21 H3 O17 P S Esi+10.501976 :1,589.8831,10.501976,0.42570137,0.548558653,0.243654338,0.312581948,0.465233964,0.534206815,0.400043664,0.23901855,0.346859235,0.110366504,0.261210825,0.18380776,0.370568039,0.154203747
6035,C9 H22 N13 S,C9 H22 N13 S,344.1786,6.017989,0.510092589,0.413688065,0.461767195,0.416893932,0.563109221,0.346813448,0.540068448,-0.315814576,-0.332717719,-0.295649423,-0.294083014,-0.364573881,-0.275246749,-0.341970149
6036,C23 H51 N25 O2,C23 H51 N25 O2,709.4655,11.499018,0.585293466,0.528963197,0.690507352,0.496745261,0.580785682,0.630808656,0.58784633,0.344731449,0.361007766,0.325314089,0.368592782,0.281159104,0.43411572,0.287102116
6037,C10 H16 N6 O2 S,Cimetidine sulfoxide Esi+7.1180134 :1,284.1013,7.1180134,0.615951048,0.376029379,0.826516127,0.432549726,0.718898209,0.377125859,0.736971486,0.515968874,0.385726983,0.671345166,0.450919811,0.594098916,0.39475666,0.594118854
6038,C7 H7 N O3,2-Nitroanisole,153.0406,1.3290006,1.350998141,1.306810175,1.126910203,1.112006686,1.342895727,1.234811143,1.238169104,0.559854152,0.621953794,0.485770368,0.512210645,0.62368879,0.602021692,0.532667185
6039,C14 H28 O3,"3-(L-Menthoxy)-2-methylpropane-1,2-diol",261.2302,8.279023,1.439725007,1.324004164,1.511536125,1.280012614,1.737593922,1.073743503,1.629170277,0.549467559,0.511885326,0.594302505,0.449542442,0.705592861,0.411380629,0.63849729
6040,C38 H50 N6 O5,Saquinavir,687.416,14.007018,0.345891437,0.700773113,0.315684639,0.340604487,0.153258205,0.480637729,0.189198883,-0.158665562,-0.366428696,0.089192211,-0.189061955,-0.114352154,-0.281032158,-0.079771309
6041,C24 H53 N O6 P,PC(O-16:0/0:0)[U],482.3578,16.52704,1.371713536,1.548165984,1.329155054,1.543758089,1.609037238,1.499673607,1.484128067,-1.235139953,-1.320082228,-1.133805309,-1.142936334,-1.335043805,-0.997381529,-1.388431568
6042,C33 H58 O10,Antibiotic X 14889C Esi+13.5649605 :1,636.3842,13.5649605,0.335122112,0.0939349,0.727727904,0.332236651,0.39931413,0.298168092,0.426065819,0.375709801,0.158211045,0.635182002,0.339236839,0.419140582,0.247220413,0.458551644
6043,C25 H35 N11 O,C25 H35 N11 O,505.3012,12.759011,1.809370913,1.60406782,2.000485755,1.69540772,1.989421884,1.536996763,1.991602516,2.9710646,2.640092405,3.365908621,2.759750254,3.246779564,2.562084849,3.234748913
6044,C26 H60 N30,C26 H60 N30,792.562,11.260008,0.468280973,0.306351647,0.57823753,0.383661273,0.411747961,0.519402532,0.389305242,0.321740474,0.293813785,0.355056524,0.33827741,0.270150619,0.437253426,0.247265018
6045,C42 H70 O11,Salinomycin,749.4774,8.291014,0.782414092,0.794998369,0.738776842,0.898933152,0.565014661,0.904522517,0.643424575,-0.481975663,-0.422408139,-0.553038673,-0.51292136,-0.442784837,-0.475854294,-0.485922334
6046,C48 H79 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",845.584,14.864991,1.17000135,1.132867971,1.019778034,1.1383852,1.03439767,1.027958675,1.128012002,-1.064877265,-1.14188198,-0.97301199,-1.013637181,-1.149834066,-1.019461909,-1.094158217
6047,C16 H14 F3 N3 O S,B 823-08,352.0712,11.603022,0.351019933,0.339670501,0.325334471,0.384625253,0.32550414,0.273159449,0.377915536,0.144134208,0.10791033,0.187348659,0.114144917,0.175394335,0.112573728,0.164482413
6048,C23 H3 N4 O20,C23 H3 N4 O20 Esi+12.719975 :1,654.9334,12.719975,1.47592597,1.456591743,1.649382077,1.514328481,1.509385604,1.426374367,1.612164525,0.702261358,0.720434237,0.680581432,0.719936235,0.658285983,0.704279656,0.700960087
6049,C24 H44 O6,Glyceryl lactooleate Esi+14.030025,428.3115,14.030025,0.051068414,0.012479369,0.057186556,0.259899098,0.221602512,0.017385651,0.013446903,0.044447028,0.041890293,0.047497168,0.181180692,-0.147576925,0.091049551,0.014400664
6050,C45 H74 N O7 P,1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocthanolamine,770.5174,10.704007,1.04325916,0.946173606,1.08992728,1.258404876,0.76786751,0.880495271,1.062750963,-0.551062099,-0.49588104,-0.616892134,-0.600050102,-0.506087231,-0.415306294,-0.638588868
6051,<none>,<none> Esi+14.333007 :1,754.0349,14.333007,0.560013106,0.66380407,0.283248372,0.642109818,0.343571484,0.503878275,0.528652098,-0.278174165,-0.383324798,-0.152731305,-0.211173433,-0.266370301,-0.265892571,-0.286092562
6052,C17 H47 N16 P S,C17 H47 N16 P S Esi+12.643007,538.3621,12.643007,1.787703099,1.830151261,1.839320379,1.858924898,1.794791402,1.895099793,1.813066278,0.912648796,0.966706112,0.848159367,0.955379147,0.837410793,0.991100397,0.862068158
6053,C11 Cl2 N2 O13 P S4,C11 Cl2 N2 O13 P S4,596.7436,12.839033,1.543222234,1.579648211,1.457076965,1.594746775,1.680715798,1.35685203,1.747849605,-1.525992777,-1.481346437,-1.579255077,-1.563833904,-1.51206541,-1.082758581,-1.811762192
6054,C14 H24 O4,Monomenthyl succinate Esi+14.17897,256.1662,14.17897,1.380554096,1.382126239,1.149678309,1.378967849,1.213568966,1.219591204,1.337020981,-0.688065933,-0.743809688,-0.621564611,-0.651416302,-0.738146844,-0.62651143,-0.727752389
6055,C14 H Cl N O13 P S5,C14 H Cl N O13 P S5 Esi+11.281005,616.7497,11.281005,1.105592926,1.079030066,0.988284479,1.15094563,1.003925966,0.968239393,1.143563668,-0.7677641,-0.866835328,-0.649573863,-0.672101493,-0.932974585,-0.581167956,-0.888069508
6056,C30 H46 O,Theonellasterol B,422.3502,11.80102,1.055350388,1.134946491,0.708755576,0.962847236,1.083205702,0.963314289,1.108664492,-0.522979326,-0.646467469,-0.375660138,-0.498320021,-0.576611081,-0.493530282,-0.54196621
6057,C20 H30 D4 F2 O5,"13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4",413.2854,14.343995,0.834598504,0.900011723,0.57648362,0.846268317,0.732040531,0.677968936,0.855317899,-0.554936858,-0.669630925,-0.418108849,-0.506107,-0.626806696,-0.468778437,-0.610486367
6058,C20 H49 N17 P,C20 H49 N17 P,558.39,14.9560375,1.14099534,1.276572948,0.856841232,1.211113342,1.137383544,1.10901083,1.138388692,-1.045766809,-1.359716835,-0.671229936,-0.973433312,-1.185203432,-0.983238671,-1.086081003
6059,C17 H36 O6,C17 H36 O6 Esi+9.425023,336.248,9.425023,0.713128821,0.620526776,0.740884686,0.628773418,0.803380719,0.789143993,0.638246432,-0.667522425,-0.57548031,-0.777327052,-0.582135816,-0.813048408,-0.681004681,-0.658829918
6060,C22 H N2 O17 P,C22 H N2 O17 P Esi+13.361024 :1,595.9018,13.361024,1.620526183,1.658761497,1.641449376,1.630232811,1.634433018,1.680736475,1.65859612,0.877156242,0.916632441,0.83006183,0.90232129,0.828575528,0.921000785,0.84888805
6061,<none>,<none> Esi+12.965025,520.822,12.965025,1.170943922,1.458238979,0.63318583,1.162110699,1.101631815,1.323794623,1.039041331,-0.547399244,-0.746352616,-0.310051362,-0.541974771,-0.534096508,-0.63989889,-0.487761314
6062,C31 H65 N O6 P S,Heptanoyl thio-PC Esi+10.472991,609.418,10.472991,0.945398473,0.90637289,1.016380736,1.181367067,0.70023064,0.882341602,0.933022738,-0.551377773,-0.528292447,-0.578918161,-0.574951738,-0.550275783,-0.444658748,-0.62018346
6063,C49 H85 O12 P,"PI(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))",896.5875,13.146978,0.98657746,0.878033063,1.039184346,0.997757449,0.834921027,1.009700229,0.933777182,0.69252485,0.655077611,0.737198749,0.728903513,0.617605197,0.732145804,0.66697976
6064,C8 H16 O3,(R)-2-Hydroxycaprylic acid,182.0916,3.8380086,0.106956535,0.16204846,0.017406869,0.213157896,0.021307572,0.250526814,0.055667603,0.02205896,0.041437088,-0.001058807,0.05331369,-0.007467279,0.057159863,-0.000571885
6065,C16 H26 O7,"(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside Esi+6.2679887",330.1652,6.2679887,0.116970366,0.118652033,0.476400392,0.075891859,0.179038436,0.068404772,0.105569789,-0.039218136,0.169087006,-0.287722516,-0.021984346,-0.08530064,-0.030256619,-0.044995956
6066,<none>,<none> Esi+12.116964,714.4672,12.116964,2.086347228,2.069735038,2.069679838,2.108012326,2.094703915,2.099892087,2.067828995,1.774064181,1.901189959,1.622405358,1.844412877,1.641392656,1.92576445,1.676257428
6067,C25 H22 O6,Millettin,440.1249,9.420999,1.264646164,1.285903776,1.410315759,1.04310018,1.741069366,1.155118615,1.522966903,0.854545453,0.774574186,0.949949771,0.646853612,1.145445187,0.679076385,0.967676825
6068,C37 H57 N22 O P,C37 H57 N22 O P,856.483,14.165024,0.255465844,0.492699036,0.24034536,0.265807036,0.060290587,0.190761951,0.153452037,-0.139261902,-0.262157466,0.00735035,-0.185223296,-0.09049735,-0.165284301,-0.122484302
6069,C31 H46 O2 S2,Probucol spiroquinone Esi+14.335992,536.2751,14.335992,1.606602947,1.455279698,1.770258199,1.598501077,1.582620838,1.662234925,1.574884684,0.963775005,0.92869819,1.005621029,0.981338314,0.941895563,0.975750938,0.95605368
6070,C26 H43 N21 P,C26 H43 N21 P,678.369,13.031987,0.199531754,0.173669965,0.163693913,0.050165559,0.326229606,0.107651149,0.278406693,-0.122955727,-0.211218751,-0.017659487,-0.028915606,-0.277773072,0.025971677,-0.218974711
6071,C32 H56 O4,C32 H56 O4 Esi+16.833006,504.4131,16.833006,1.316654869,1.270313058,1.22599596,1.343314024,1.196056274,1.427587538,1.151574836,-0.840049388,-0.878517153,-0.794158018,-0.814720374,-0.881874824,-0.877017162,-0.816214902
6072,C28 H60 N13 O8,C28 H60 N13 O8,706.4683,12.976016,1.405761149,1.393255406,1.479827012,1.367350518,1.450368103,1.394155995,1.48360004,0.727813411,0.749250216,0.702239679,0.738199481,0.69791703,0.758496432,0.708030937
6073,C38 H73 O9 P,PG(P-18:0/14:1(9Z)) Esi+11.471991,704.5062,11.471991,0.038644365,0.023476925,0.124290646,0.054837696,0.236766236,0.091675131,0.102247134,0.025562958,0.048684306,-0.002020404,-0.001311457,0.033021879,0.045992783,0.012391097
6074,C8 Cl3 N O9 P S5,C8 Cl3 N O9 P S5,549.6981,12.655025,1.600939252,1.544827765,1.679978093,1.625959718,1.578713141,1.5326051,1.68878603,0.90887988,0.921204563,0.894176751,0.927667821,0.863113634,0.908443322,0.909161345
6075,C12 H24 N6 O4 S,Arg Cys Ala Esi+9.594979,370.1411,9.594979,2.181111109,2.087990695,2.244933443,2.087200105,2.291831327,2.107635691,2.195512343,2.651559382,2.469132028,2.869192014,2.533442682,2.825606501,2.500120685,2.749197489
6076,C14 H22 O3,Geranyl acetoacetate,238.1551,9.463994,0.002120693,0.063506152,0.092581886,0.195537637,0.043491323,0.060460538,0.022096587,0.036673633,0.030683338,0.04381995,-0.018003305,0.123882571,0.050432415,0.02780284
6077,C31 H50 N3 O9,C31 H50 N3 O9 Esi+13.895997,608.3552,13.895997,0.554331723,0.565989117,0.353231022,0.424917237,0.673203032,0.304740551,0.619312352,-0.291395126,-0.413204571,-0.146078595,-0.170590614,-0.466902594,-0.158253914,-0.37723617
6078,C23 H2 N O12 P S5,C23 H2 N O12 P S5,674.7917,12.907975,0.041159718,0.02723252,0.045531366,0.109655235,0.073226605,0.060030164,0.05892825,0.044309496,0.054679379,0.031938407,0.042340644,0.031032921,0.091571899,0.013837683
6079,C8 H14,"1,3-Octadiene Esi+4.9659925",110.1093,4.9659925,0.819993271,0.750706512,1.080780613,0.607623423,1.342841088,0.601430694,1.008340934,0.586245597,0.416740565,0.788462126,0.46429606,0.782133504,0.418768286,0.69422439
6080,C26 H41 N O4,Malyngamide H Esi+8.706024,431.3014,8.706024,0.436177124,0.268644098,0.556683652,0.266436437,0.530460669,0.167057168,0.553874745,0.229871348,0.242229388,0.215128423,0.189336534,0.300744937,0.131687604,0.293174025
6081,C12 H36 N10 O6 P,C12 H36 N10 O6 P,447.2519,9.876978,1.414240954,1.178335279,1.689526669,1.233727918,1.550482501,1.260475545,1.497084733,1.49864909,1.356998036,1.667636313,1.419044967,1.603752122,1.463749535,1.52115012
6082,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+12.200995",364.1858,12.200995,2.273980084,2.118122105,2.467793205,2.292005033,2.362847541,2.26317651,2.329850169,2.295320042,2.088771596,2.541728715,2.189576023,2.426213584,2.164513483,2.37965585
6083,C31 H61 N7 O P,C31 H61 N7 O P,578.4681,16.165028,1.531509634,1.579106705,1.222983995,1.446608324,1.479328122,1.291643308,1.55346952,-1.036834296,-1.186462899,-0.858329997,-0.949946323,-1.152818536,-0.866763402,-1.146485266
6084,C12 H22 N7 O,C12 H22 N7 O,280.188,5.442994,0.203515088,0.030430675,0.619077845,0.179253761,0.399891793,0.113326379,0.35750058,-0.146311028,-0.026567667,-0.289162756,-0.121842569,-0.212869586,-0.085223822,-0.1856962
6085,C22 H36 O7,Grayanotoxin I Esi+9.204995,434.2275,9.204995,2.583065961,2.550652593,2.46962304,2.610987639,2.564562753,2.562529569,2.548625779,-5.362422998,-5.451587457,-5.256051362,-5.322827504,-5.491215325,-5.43259637,-5.317179639
6086,C53 H57 N O6 P S,C53 H57 N O6 P S,866.3642,11.291014,0.070480979,0.069285614,0.017616461,0.092158165,0.156520871,0.133167606,0.058477182,-0.028556498,-0.006017293,-0.055445375,0.012705025,-0.117897189,-0.149906387,0.049682246
6087,C10 H27 N10 O P,C10 H27 N10 O P,334.2102,11.582012,0.582131525,0.710864126,0.384671769,0.596960649,0.565360665,0.58033665,0.576089143,0.6715776,0.883485156,0.418775604,0.641085399,0.671307752,0.703041552,0.651291631
6088,C21 H33 F O,3beta-Fluoro-5beta-pregnan-20-one,320.2545,12.022969,0.64820937,0.354995018,0.932257566,0.353326007,0.835125978,0.233256968,0.793861565,0.454279267,0.298334906,0.640318155,0.403213849,0.529245603,0.296753236,0.555842103
6089,C35 H62 O7,cis-Annonacin-10-one Esi+10.965013 :1,616.4253,10.965013,1.02158046,0.926394198,1.120955074,1.182928152,0.769344556,0.94833974,0.997076606,-0.513787323,-0.459106601,-0.579020465,-0.546336777,-0.490575695,-0.440116448,-0.56128565
6090,C21 H35 N5 O5,Lysyl-Tyrosyl-Lysine,454.2945,14.655025,1.208905209,1.266789698,0.895985658,0.956774423,1.343899022,1.073348691,1.249422724,-0.726041395,-0.822100234,-0.611444884,-0.617790734,-0.864465973,-0.681679542,-0.754643115
6091,C24 H36 N7 O3,C24 H36 N7 O3 Esi+12.0,470.2868,12,0.924696466,0.681731856,1.2020597,1.005725771,0.873432958,0.804236921,0.986676443,0.707343245,0.512915427,0.93929222,0.751894736,0.688291242,0.560448188,0.802051899
6092,C27 H56 N O7 P,PE(22:0/0:0) Esi+7.5279856,559.356,7.5279856,0.927008818,0.756440712,1.161889105,0.965851401,0.899663728,0.718476174,1.013818136,-0.577987243,-0.410407077,-0.777907441,-0.548450678,-0.638186638,-0.408183417,-0.687466026
6093,C20 H31 N5 O5,Lys Phe Gln,438.2595,13.662003,2.317542544,2.178130324,2.612206686,2.354900364,2.502077918,2.318157319,2.445654935,1.986074544,1.799166207,2.209052911,1.820883876,2.220061006,1.880109435,2.054394153
6094,C17 H34 N2 O S2,C17 H34 N2 O S2,346.2145,13.007018,0.62543143,0.497316772,0.778632161,0.455143749,0.831980998,0.517643225,0.708701089,0.253485144,0.219188743,0.294400148,0.1897555,0.329666126,0.212949795,0.279619776
6095,C5 H10 N6 O2,Dinitrosopentamethylenetetramine Esi+3.3270085,186.0871,3.3270085,0.547587107,0.719606811,0.332006948,0.696371598,0.289796751,0.743974289,0.397395417,0.239693631,0.342899136,0.116571275,0.344139384,0.089439689,0.428155838,0.118185104
6096,C21 H23 N2 S,LDS-751,334.1522,4.57201,0.265326768,0.144923431,0.29293751,0.424589535,0.011741201,0.363476569,0.105976278,-0.186289756,-0.173300431,-0.201785792,-0.288730759,-0.046453596,-0.26979372,-0.132451674
6097,C49 H76 N10 O10,C49 H76 N10 O10,964.5732,14.477034,0.523216016,0.647011205,0.240359484,0.445381962,0.538494147,0.334467922,0.565701978,-0.296410446,-0.464698106,-0.09564622,-0.197477206,-0.452628646,-0.213729724,-0.349717753
6098,C30 H14 N6 O10 S4,C30 H14 N6 O10 S4,745.9656,12.445005,1.229072262,1.224303909,1.2479057,1.120129209,1.357043959,1.064966933,1.402395056,0.5832334,0.619193496,0.540333637,0.553466812,0.604247088,0.548815155,0.605424111
6099,C38 H76 N O6 P,CerP(d18:1/20:0) Esi+16.04396,695.5165,16.04396,0.198998733,0.527248543,0.482304851,0.014728368,0.161018055,0.289352191,0.051292275,-0.031622573,-0.221084979,0.194402753,0.002957534,-0.084495489,-0.078263786,-0.001551265
6100,<none>,<none> Esi+12.906986 :1,865.0904,12.906986,0.117296359,0.016366185,0.366373805,0.101995752,0.268958757,0.228968393,0.115171362,0.112188506,0.067749719,0.1652032,0.11666663,0.08635605,0.15755996,0.082935859
6101,C23 H50 N5,C23 H50 N5,396.4084,13.460999,0.045936929,0.159864378,0.168389368,0.117556077,0.12012872,0.076675365,0.019208386,0.03733742,0.269756014,-0.239933885,0.165569152,-0.1710599,0.172260069,-0.049652182
6102,C19 H10 N8,C19 H10 N8,350.0997,5.573986,0.28093291,0.452355539,0.082303296,0.139364589,0.369631107,0.026844259,0.432546026,0.263288923,0.433499687,0.060230468,0.150300555,0.454079719,0.060541625,0.394007576
6103,C6 H13 N,2-Methylpiperidine,99.1045,2.1340013,1.453632399,1.498601881,1.260413406,1.47070279,1.357325976,1.630713832,1.274158782,0.698166891,0.744831022,0.642497401,0.697427327,0.691251767,0.772029525,0.650544929
6104,C27 H46 O5 S,26-hydroxycholesterol 3-sulfate,482.3002,14.408989,0.577419481,0.610289422,0.410824726,0.463210379,0.631597245,0.362760944,0.574042417,-0.340063957,-0.369625663,-0.304797359,-0.238363103,-0.501944814,-0.235786302,-0.407295602
6105,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+8.577997",705.4869,8.577997,0.784352992,0.745086232,0.795052644,0.98536718,0.495893538,0.705972323,0.734483922,-0.410373627,-0.354710741,-0.476778473,-0.471350003,-0.33228849,-0.318714207,-0.469469832
6106,C44 H76 N2 O13,Spiramycin Esi+11.180992,840.5413,11.180992,1.01337614,0.974781989,1.059232218,1.052176026,0.847599205,1.146115999,0.931846718,0.577860075,0.612321269,0.536748476,0.645257746,0.451592929,0.723296934,0.484091574
6107,C15 H18 N4 O4,Tyrosyl-Histidine,318.1291,4.301011,0.618684231,0.587781546,0.510595641,0.619570448,0.527405384,0.416451985,0.678339188,0.494514549,0.518366098,0.466060068,0.480738157,0.507696011,0.2885233,0.627324696
6108,C24 H48 N O7 P,PE(19:1(9Z)/0:0) Esi+11.595968,493.3166,11.595968,0.288466677,0.393023088,0.033920625,0.367913848,0.103349756,0.148534871,0.203820299,-0.266004851,-0.335413114,-0.183202011,-0.263121717,-0.298545545,-0.123203298,-0.358074274
6109,C26 H38 N12 O,C26 H38 N12 O,534.3279,15.114991,0.778661697,0.732721818,0.849956949,0.827538576,0.774644027,0.965745509,0.691187107,0.445219512,0.434585113,0.457906165,0.477399085,0.387170302,0.53663215,0.386282417
6110,C27 H50 O6,TG(8:0/8:0/8:0) Esi+15.542981,470.3648,15.542981,0.397512331,0.583789708,0.027158206,0.397557593,0.274388527,0.38108895,0.296558327,-0.080111054,-0.208585772,0.07315703,-0.080321721,-0.089112878,-0.100227642,-0.067141149
6111,C16 H27 N O3 P S,C16 H27 N O3 P S,344.1564,6.251991,0.915236941,0.767112766,1.183158817,0.869389358,1.066599382,0.820033179,0.992387631,-0.516715746,-0.375954089,-0.684641932,-0.403259257,-0.664484817,-0.364091332,-0.615118328
6112,C30 H48 O9,Lithocholate 3-O-glucuronide Esi+13.616974,552.3272,13.616974,2.447261764,2.231989638,2.53465518,2.436556948,2.408614012,2.223219381,2.489328259,3.707040934,3.42599703,4.04232138,3.589027992,3.856582174,3.443254503,3.877113764
6113,C29 H40 O8,Lucidenic acid E2 Esi+11.286002,538.2564,11.286002,1.621401254,1.57923586,1.855005388,1.637450024,1.712627655,1.815417735,1.632894884,1.423812803,1.345020045,1.517811181,1.448962377,1.376208384,1.525420687,1.358302457
6114,C24 H27 N2 O16 S,Prebetanin,630.1057,14.023982,0.390954755,0.392171713,0.301599693,0.438157076,0.348587325,0.353711208,0.374677956,-0.13268402,-0.152286404,-0.10929872,-0.134279181,-0.143728909,-0.125472554,-0.137333518
6115,C35 H43 N O11,Rifamycin W-hemiacetal,653.2901,12.576015,1.952153703,1.91437211,1.707886535,1.893034708,1.768093456,1.784217761,1.899006443,-2.281312995,-2.360836782,-2.186442512,-2.262001932,-2.297130468,-2.207903727,-2.328642654
6116,<none>,<none> Esi+10.677001,501.8309,10.677001,0.445191312,0.528271946,0.268046307,0.348697918,0.411663415,0.531586463,0.354306173,0.264860542,0.367152042,0.142828577,0.286392829,0.210908282,0.413803359,0.16883162
6117,C26 H Cl2 N4 O4 S2,C26 H Cl2 N4 O4 S2,566.8809,13.032974,1.701024396,1.788602569,1.682146262,1.64168908,1.845067074,1.615291018,1.843569199,0.899637236,0.979472102,0.804395641,0.88370519,0.905395663,0.870783017,0.918240613
6118,C9 H17 N O4,C9 H17 N O4,203.1153,0.97500235,1.562162266,1.730291807,1.034125366,1.653096046,1.273247296,1.748288071,1.343818925,0.769326454,1.031909988,0.456068906,0.828095976,0.688814225,0.899938246,0.685116221
6119,C16 H24 O7,PGDM Esi+5.007003,328.1497,5.007003,1.230845304,1.332244592,1.036378285,1.259129697,1.150890081,1.566019465,1.059582118,-0.490624592,-0.525953245,-0.448478127,-0.490686315,-0.490884667,-0.592321474,-0.425056865
6120,C29 H57 O8 P,PA(12:0/14:0) Esi+13.889967,581.4043,13.889967,0.918955601,0.863211855,1.019871145,0.85354982,0.908397334,1.025380327,0.873873239,0.481060263,0.475366821,0.487852438,0.494827781,0.445297438,0.555752148,0.432903653
6121,C29 H40 N8 O5,Hordatine B,580.3068,6.6789865,0.261002193,0.010256332,0.542204104,0.202518882,0.277088677,0.02834763,0.391526959,-0.162427765,-0.007750031,-0.346955588,-0.11486744,-0.247680151,-0.011346269,-0.259835571
6122,C20 H32 O8,Cincassiol B Esi+11.728022 :1,400.2096,11.728022,1.469378111,1.149022344,1.886548962,1.347082271,1.634371697,1.436226518,1.532162683,1.421495339,1.151355869,1.743766988,1.315197391,1.568274798,1.35915418,1.461688982
6123,C46 H88 N O10 P,PS(21:0/19:1(9Z)),867.5942,14.121996,1.230713606,1.206338872,1.13416555,1.224371376,1.077294782,1.373493177,1.073612645,1.258467103,1.304619373,1.203408254,1.320895311,1.141134345,1.475637338,1.118449451
6124,C28 H52 O4,2-Hydroxy-24-keto-octacosanolide,452.3867,15.971973,1.248448003,1.271535474,1.159575456,1.319565901,1.163382962,1.205337169,1.254650255,-1.018671453,-1.216248144,-0.782965926,-1.064694373,-0.981319674,-1.000261561,-1.030540988
6125,C32 H44 N7 O4,C32 H44 N7 O4,590.3441,13.327957,2.0037929,1.828774142,2.114592348,2.004559894,1.975294903,1.853187404,2.062569617,2.494648155,2.349808581,2.667439225,2.485584397,2.502144083,2.439920726,2.529932944
6126,C26 H39 N5 O7,C26 H39 N5 O7,533.2888,12.331034,0.888231378,0.648387954,1.229174061,0.73845626,1.050497551,0.798941526,0.966631527,1.120665541,0.894406776,1.390588278,1.037733414,1.22398064,1.03026462,1.178950345
6127,<none>,<none> Esi+1.2980015,160.9067,1.2980015,0.231639496,0.123499811,0.465099721,0.39539164,0.115360323,0.359126708,0.209043809,0.090152981,-0.021458673,0.223303727,0.143524009,0.036742912,0.11295968,0.075448663
6128,C18 H36 N6 O5,Istamycin B3 Esi+11.527004,416.2761,11.527004,0.228541679,0.310533782,0.106474993,0.130403473,0.27757523,0.385275441,0.153855929,0.417381894,0.49250333,0.327763338,0.438744125,0.360903655,0.629711685,0.280485054
6129,C24 H42 N23,C24 H42 N23,652.3999,12.829025,0.914587434,1.199925109,0.398842029,0.84348312,0.881590737,1.146187866,0.725304572,-0.603948194,-0.85494921,-0.304508386,-0.576692508,-0.613185381,-0.868228677,-0.433556831
6130,C27 H55 N8 O P,C27 H55 N8 O P Esi+14.958986,538.4232,14.958986,1.346668424,1.480186311,1.117055176,1.298099228,1.337157169,1.410555346,1.232217524,-1.269270041,-1.492944662,-1.002430141,-1.241978191,-1.335250371,-1.367349991,-1.206034284
6131,C37 H61 O8 P,"PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+15.071031",664.4173,15.071031,0.143615532,0.038202767,0.429847957,0.026723536,0.266297302,0.090140896,0.214395554,0.244044306,0.079616586,0.440203692,0.118895799,0.364433416,0.153445818,0.30245649
6132,C20 H38 O7 S,Docusate,422.2299,9.089989,0.207277188,0.475200263,0.080609243,0.31930289,0.110037409,0.377757517,0.105521064,0.127727901,0.380841492,-0.174232172,0.098262721,0.127550026,0.236099629,0.057856656
6133,C29 H48 O7,"3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid Esi+14.63402",508.3359,14.63402,0.767106295,0.582982801,1.031061654,0.662771902,0.883663459,0.687122932,0.831422912,0.505431116,0.422390787,0.604496771,0.459535805,0.558360792,0.472786406,0.526478363
6134,C33 H49 N5 O6,Zizyphine A Esi+12.297037,628.3911,12.297037,1.133191625,1.265495463,0.98424182,1.084621068,1.131388529,1.067391741,1.233061054,0.705903054,0.839558008,0.546455039,0.740161409,0.633183553,0.729860321,0.690456921
6135,C10 H13 N O2,"2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine",179.0939,0.87100136,0.329925929,0.444485181,0.020924614,0.513378012,0.064892157,0.682489409,0.053470582,-0.146096795,-0.23336031,-0.041992954,-0.202005366,-0.069625139,-0.262651913,-0.070949417
6136,C15 H24 O7,10-Hydroxy-8-nor-2-fenchanone glucoside,338.134,8.258024,0.431134173,0.534358475,0.125009286,0.58913509,0.060850381,0.83544718,0.066495882,-0.242935707,-0.266658312,-0.214635056,-0.340728149,-0.085163174,-0.388378619,-0.149163304
6137,C15 H43 N14 O4,C15 H43 N14 O4 Esi+13.877985,483.359,13.877985,0.290897184,0.336705982,0.044807024,0.301170329,0.155364106,0.04654911,0.293637444,-0.097483801,-0.125868128,-0.063621797,-0.072329551,-0.14630914,0.012398067,-0.168328689
6138,C18 H19 N6,CAY10498 Esi+0.8789987,319.1658,0.8789987,0.369648614,0.383450665,0.228847986,0.48306046,0.203665947,0.426391554,0.245729561,-0.101245405,-0.199510517,0.01598315,-0.167350435,-0.014107106,-0.181508711,-0.049496695
6139,C14 H32 Cl2 N14 S5,C14 H32 Cl2 N14 S5,626.093,12.128987,0.199842608,0.178464307,0.121841985,0.107313488,0.158593723,0.0145614,0.187889309,-0.020010881,-0.005470583,-0.037357201,0.055364435,-0.14164406,0.095238977,-0.094316711
6140,C36 H70 N O9 P,PS(P-18:0/12:0) Esi+9.941991,690.4629,9.941991,0.963597753,1.007045868,0.842703628,1.002930275,0.925123964,0.719242679,1.074788538,-0.601582531,-0.645333153,-0.549388806,-0.58307165,-0.626632477,-0.407899201,-0.726457309
6141,C14 H25 N O4,C14 H25 N O4 Esi+5.7550035,271.1506,5.7550035,0.764794174,0.538712782,1.041935476,0.51826595,1.158740201,0.320607204,1.042724522,0.754085515,0.59434259,0.944656023,0.602729555,0.970485182,0.430151014,0.962938023
6142,C17 H31 N O4,C17 H31 N O4 Esi+8.284026,313.2249,8.284026,0.022367479,0.011538864,0.046791039,0.141872416,0.069275375,0.026986372,0.067477296,0.115343472,0.173363375,0.046126746,0.098484231,0.134338717,0.268676843,0.016483798
6143,C11 H18 N6 O,C11 H18 N6 O Esi+9.1639805,250.1476,9.1639805,0.424872511,0.490749341,0.149466413,0.346861483,0.261864261,0.648461082,0.21030679,-0.366859282,-0.400250711,-0.327023893,-0.446265055,-0.257110708,-0.561179436,-0.241573919
6144,C43 H75 N2 O9 P,C43 H75 N2 O9 P,794.5221,12.726014,1.105180897,1.101544671,1.039548813,1.062569413,0.995773407,1.016638192,1.139685027,0.834081178,0.910936919,0.742393627,0.867234551,0.764201772,0.845735634,0.826567121
6145,C18 H19 N6,CAY10498 Esi+10.208986,336.1903,10.208986,1.227678054,1.139325809,1.403491502,1.175761082,1.31475179,1.410767857,1.174499725,0.923884453,0.86876847,0.989636853,0.886718444,0.93855135,1.075258685,0.826287908
6146,C22 H42 O6,Sorbitan palmitate Esi+14.569027,419.3243,14.569027,1.584649781,1.859229475,1.328204571,1.618208022,1.571537566,1.838718465,1.510095059,-1.372160606,-1.627787573,-1.06720212,-1.401147693,-1.311379465,-1.555952131,-1.25366344
6147,C28 H50 N4 O7,Epoxomicin,571.392,8.864992,0.2133376,0.019910447,0.477445076,0.115611562,0.253200949,0.204659043,0.219812857,0.141472013,0.065093532,0.232590202,0.113261196,0.15327361,0.170407558,0.122816202
6148,C5 H14 N O,Choline Esi+11.406005 :1,103.0997,11.406005,1.031169544,0.971947286,0.862867585,0.934215484,0.869618603,0.944570552,0.897348759,-1.364977198,-1.400796465,-1.322245441,-1.383685071,-1.341400087,-1.476594074,-1.293013686
6149,C7 H14 N6 O,C7 H14 N6 O Esi+5.749013,198.1231,5.749013,0.701764984,0.716969571,0.689030953,0.697969292,0.620750498,0.855339743,0.643922756,0.440539429,0.424211364,0.460018525,0.491030078,0.338189453,0.533229318,0.380778843
6150,C46 H89 N O13,LacCer(d18:0/16:0),885.6114,13.868966,0.697445646,0.710493226,0.443140198,0.751137567,0.333087225,0.524006748,0.622031268,-0.265449856,-0.331120832,-0.187105533,-0.271564673,-0.27481698,-0.204567289,-0.304703089
6151,C14 H18 N7 O4,C14 H18 N7 O4,348.1552,4.362,0.198964269,0.064568538,0.24904624,0.556727929,0.245564337,0.417132536,0.013010344,0.032708099,0.032902189,0.032476554,0.39705493,-0.411907231,0.376645348,-0.189040917
6152,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+5.0579934 :1,170.0941,5.0579934,0.337149015,0.557449194,0.037861747,0.517243736,0.242157978,0.380944493,0.323175872,-0.362175267,-0.632982698,-0.039106753,-0.430415993,-0.285525229,-0.411981908,-0.330063091
6153,C33 H60 O14,Gingerglycolipid C,680.3955,8.725985,0.180321089,0.490442128,0.226410418,0.291431464,0.015863042,0.469172322,0.001580921,0.036785328,0.221119839,-0.183122509,0.135203163,-0.10993372,0.236800107,-0.092171568
6154,C36 H78 N9 O S4,C36 H78 N9 O S4,780.5202,12.708986,1.067250135,1.060969791,1.152729281,1.088749724,0.979346448,1.226145063,1.026556675,0.642623406,0.678025109,0.600389794,0.691497809,0.548911241,0.782012544,0.552754093
6155,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.190999,284.1238,5.190999,1.565180582,1.461883032,1.554696233,1.414129637,1.589618725,1.450082794,1.59107277,1.662416688,1.706894431,1.609355522,1.6553857,1.620651035,1.828889225,1.555085711
6156,C28 H32 O10,Physalin O,528.1989,9.435028,0.498626161,0.553778297,0.334599773,0.266619431,0.621212463,0.598302543,0.399366905,0.441206556,0.504549668,0.365639335,0.375016948,0.499590447,0.524766524,0.387332366
6157,C17 H32 N6 O4,Pro Ile Arg Esi+13.837961,384.2511,13.837961,0.495101407,0.168730758,0.947039359,0.405259378,0.63450081,0.343910848,0.643802401,0.340385119,0.202667052,0.504680358,0.348813016,0.326313229,0.256452817,0.394499367
6158,C30 H59 N3 O4 P S,C30 H59 N3 O4 P S,587.3875,9.166993,0.73338567,0.751164552,0.652507186,0.940272721,0.395957979,0.92435392,0.564691955,-0.771999393,-0.756953806,-0.789948516,-0.914807692,-0.593473082,-0.882941481,-0.700470942
6159,C19 H30 O2,4-Methylphenyl dodecanoate Esi+13.534973,290.2247,13.534973,0.515981737,0.561777041,0.298560086,0.467925898,0.4047472,0.579127711,0.333890791,-0.442810575,-0.580280437,-0.27881144,-0.450131511,-0.427371088,-0.583890789,-0.351850963
6160,C25 H32 O7,"17,18-dehydro-clavulone I Esi+12.879963",466.1972,12.879963,1.311620834,1.004931221,1.65857778,1.139158126,1.530079918,1.186662087,1.42732166,1.018802582,0.790885803,1.290703301,0.879364459,1.231636536,0.907523017,1.090548618
6161,C31 H46 O7,11-Ketorockogenin acetate,547.356,6.125986,0.088907661,0.236844216,0.168769133,0.075189309,0.004351774,0.335957444,0.118833686,0.003427798,0.11551636,-0.130291891,0.037389449,-0.060180052,0.174382476,-0.106792981
6162,C41 H68 O11,Chondrillasterol 3-[glucosyl-(1-4)-glucoside],735.4611,7.82602,0.843681369,0.770960811,0.98383994,0.928894803,0.748251999,0.839390713,0.842449428,-0.575594681,-0.443083764,-0.733677881,-0.600197566,-0.558069547,-0.499475477,-0.624671536
6163,C7 H13 N O,1-(1-Pyrrolidinyl)-2-propanone Esi+0.8780016,127.0991,0.8780016,0.347280105,0.597185075,0.054692416,0.482473915,0.101446516,0.506868185,0.166635654,-0.281089451,-0.557254927,0.048371117,-0.328334752,-0.145784263,-0.441190898,-0.177866149
6164,C18 H39 N,1-Octadecanamine Esi+11.672033,269.3078,11.672033,0.248359488,0.405028704,0.242024964,0.082165611,0.338345385,0.087402542,0.256939702,-0.063365592,-0.183111303,0.079488942,-0.029233479,-0.120118273,-0.015559664,-0.094187834
6165,C26 H53 N8 O6,C26 H53 N8 O6 Esi+9.537005,573.4104,9.537005,0.758339122,0.735833439,0.767491916,0.942220952,0.487284502,0.440679023,0.878651776,-0.710979013,-0.72440381,-0.694963466,-0.822708439,-0.589672646,-0.341298559,-0.949325622
6166,C23 H44 O5,"1,2-Didecanoyl-sn-glycerol",400.3173,14.8279505,0.277436747,0.013049412,0.583099111,0.143216966,0.374692391,0.198107734,0.330450452,0.180120521,0.057162539,0.326807237,0.146730269,0.226992519,0.149238106,0.200031552
6167,C27 H42 O8,"(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside Esi+13.441978",494.2826,13.441978,0.798142831,0.57689822,0.860537249,0.640609225,0.796838525,0.577205386,0.784320727,-0.802895071,-0.706915458,-0.917397064,-0.612881753,-1.06515152,-0.658977275,-0.895684176
6168,C40 H73 O10 P,"PG(16:0/18:3(6Z,9Z,12Z)) Esi+12.448979 :1",743.4879,12.448979,1.400597356,1.372987373,1.479630229,1.356265045,1.439944539,1.367242676,1.485502703,0.759305873,0.793562258,0.718438607,0.770873563,0.719851678,0.797408041,0.734740002
6169,C20 H32 O8,Cincassiol B Esi+9.470977,417.2366,9.470977,0.403879218,0.521341026,0.244759047,0.588640708,0.272035536,0.155225732,0.548063328,-0.197938129,-0.284876803,-0.094221816,-0.218219451,-0.196271704,-0.032844788,-0.304379888
6170,C36 H40 N2 O6,Dipiperamide D,596.2906,13.321028,0.4377777,0.554683936,0.212016324,0.393497201,0.418557491,0.406542793,0.4246452,-0.359679608,-0.481566526,-0.214270655,-0.224481364,-0.489173462,-0.316429298,-0.387564677
6171,<none>,<none> Esi+11.654032,468.8272,11.654032,0.841794497,0.745357111,0.894825492,0.747730936,0.824251537,0.871306967,0.789345527,0.355400193,0.354741435,0.356186079,0.338883572,0.357107935,0.414471318,0.317314862
6172,C34 H5 N5 O12 P,C34 H5 N5 O12 P Esi+12.975025,705.9672,12.975025,1.412261898,1.359830746,1.602738594,1.362566709,1.532564779,1.467275142,1.490065551,0.725873073,0.733244469,0.717079127,0.728340527,0.705361463,0.760737399,0.703394758
6173,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.224984 :1,228.1363,7.224984,0.379290815,0.140136516,0.566133354,0.262458245,0.4105588,0.142939249,0.510793108,0.351286461,0.171338526,0.565961192,0.261043878,0.463070578,0.147783547,0.482492288
6174,C13 H18 O5,"Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate Esi+5.895011",276.0973,5.895011,0.233525043,0.053116424,0.451836719,0.024650536,0.448827841,0.100750727,0.478442014,-0.08129037,-0.008135857,-0.16856242,0.02176484,-0.243601287,0.141456292,-0.224903349
6175,C46 H94 N5,C46 H94 N5,716.7525,6.297986,1.945570998,1.861888892,1.863150769,1.831139335,1.989807056,1.804716072,1.951748359,1.747843721,1.879363478,1.590942959,1.652133664,1.865738008,1.787553829,1.722241152
6176,C11 H18 N5 O13 P3,5'-Guanylylmethylenebisphosphonate Esi+13.081036 :1,538.0419,13.081036,0.093516187,0.015268952,0.394117694,0.023135971,0.293602218,0.091533115,0.227002083,0.09824088,0.062726407,0.140609024,0.105598812,0.078325488,0.109351412,0.091077511
6177,C12 H16 O3,(4-tert-Butyl-phenoxy)-acetic acid,208.108,6.5260005,0.21148754,0.089719972,0.316623392,0.387829234,0.198531992,0.444608725,0.039732796,-0.071277835,-0.022028258,-0.130031717,-0.193559623,0.092479642,-0.194986985,0.008482011
6178,C19 H32 N6 O5,C19 H32 N6 O5 Esi+12.599028,423.2646,12.599028,2.179265222,2.054897634,2.458698542,2.154817441,2.376190503,2.040451277,2.312030448,2.6684839,2.271252053,3.142374524,2.460582713,2.975197561,2.316099218,2.895679287
6179,C21 H21 N8 O23 P,C21 H21 N8 O23 P,784.0458,13.488023,0.09173738,0.235283869,0.286865943,0.20048124,0.156978178,0.058942746,0.042344716,0.009270409,-0.041878123,0.070289709,0.005990726,-0.001031026,0.044601978,-0.013509156
6180,C12 H12 Cl N7 O,Phenylamil,322.1026,5.201001,0.267198754,0.093049047,0.52892689,0.057705839,0.603576512,0.068667345,0.405087214,0.220445102,0.057069297,0.41534957,0.087141456,0.460175668,0.040410783,0.33651986
6181,C23 H38 O3,"24-Nor-5beta-chol-22-ene-3alpha,7alpha,12alpha-triol",384.2584,7.348016,0.902976054,0.736321756,1.109727648,0.996605577,0.780086156,0.673202111,1.002906076,-0.407242505,-0.298133625,-0.537407484,-0.409949473,-0.420470804,-0.273948428,-0.493182107
6182,C38 H61 N O8,Lansioside A,659.4444,8.926018,0.452943948,0.286820571,0.569882282,0.430919576,0.38815061,0.502546845,0.388659753,0.285245931,0.253137415,0.323550826,0.27811974,0.269742847,0.353138,0.241473413
6183,C24 H47 O9 P,PG(18:1(9Z)/0:0),510.2964,14.472968,1.542883949,1.305527294,1.803767122,1.381424971,1.712259025,1.49660285,1.576861712,1.384390753,1.259155464,1.533794255,1.301667979,1.498011331,1.346363775,1.408908146
6184,C25 H21 O17,Cyanidin 3-(6''-dioxalylglucoside) Esi+12.472976,592.0715,12.472976,0.127312294,0.097586635,0.255614613,0.091044297,0.175148202,0.143105095,0.210910265,0.12514474,0.08888135,0.168406328,0.114717421,0.121402962,0.119765967,0.128612634
6185,C18 H33 N7 O4,Lys His Lys,428.2853,7.4980154,0.698022507,0.663110174,0.709908906,0.828629682,0.528896561,0.587837555,0.733102584,-0.33913791,-0.280571463,-0.409006654,-0.363325471,-0.324406868,-0.261555132,-0.389158385
6186,C15 H28 N2 O,C15 H28 N2 O,252.2198,10.674,1.200305152,1.161792928,1.116491013,1.113818128,1.25493534,1.048980557,1.237093194,-0.764486598,-0.885204791,-0.620471912,-0.773963596,-0.775454323,-0.785708749,-0.750803896
6187,C2 H6 Cl O3 P,Ethephon Esi+1.2980018,143.9748,1.2980018,0.195508164,0.359508499,0.273125244,0.150250773,0.125736152,0.19189044,0.080365483,-0.238519915,-0.561098527,0.146310709,-0.253427522,-0.19470607,-0.340423426,-0.172818967
6188,C16 H24 N10 O4,C16 H24 N10 O4,420.1974,5.4219975,0.590985091,0.455081064,0.638441264,0.676482699,0.434279262,0.648036093,0.407066019,0.461496417,0.37402479,0.565848533,0.459224503,0.484716994,0.486236644,0.445545481
6189,C12 H3 Cl2 N2 O12 P S5,C12 H3 Cl2 N2 O12 P S5,627.7466,12.725023,1.740377929,1.731606998,1.814635996,1.856362418,1.691046322,1.838655657,1.771276801,0.866225284,0.91170279,0.811971418,0.891685024,0.810605159,0.895479215,0.847364197
6190,C18 H19 N O27 P,C18 H19 N O27 P Esi+12.030024,711.9885,12.030024,0.41832285,0.259080723,0.633596314,0.315835803,0.432374777,0.387534908,0.462816051,0.330233106,0.244596406,0.432396187,0.341015662,0.291000054,0.381396417,0.297246235
6191,C17 H26 O5,Valdiate Esi+9.433995,310.1755,9.433995,0.482866746,0.403898232,0.319080277,0.43474891,0.402910083,0.601905311,0.297655813,0.305339602,0.324472688,0.282514167,0.297951799,0.295122186,0.398290074,0.245411009
6192,C29 H12 N4 O18 P,C29 H12 N4 O18 P,734.9886,13.292983,1.306305318,1.257940099,1.463637367,1.307025251,1.350910574,1.337909065,1.36842727,0.653180196,0.656926669,0.648710719,0.66553492,0.621831658,0.679086852,0.63647722
6193,C27 H2 N4 O18,C27 H2 N4 O18,669.9378,11.373023,0.902156513,1.060872565,0.586388939,0.852474154,0.841249143,1.025699236,0.771969534,0.698239919,0.888087545,0.471755033,0.746726674,0.607439342,0.904445005,0.565291903
6194,C24 H56 N26 O,C24 H56 N26 O Esi+14.082018,724.512,14.082018,0.623867227,0.738728975,0.306164917,0.680029592,0.409864949,0.63712933,0.531792203,-0.330625831,-0.408197296,-0.238084434,-0.344465567,-0.294131459,-0.333545084,-0.328743681
6195,C36 H71 N2 O7 P,"PE-Cer(d16:2(4E,6E)/18:0(2OH)) Esi+11.792988",696.4796,11.792988,0.668112517,0.660644073,0.571084558,0.929007925,0.394853332,0.759248537,0.544814829,-0.483575052,-0.493737376,-0.471451578,-0.574406804,-0.394119318,-0.446430347,-0.507523612
6196,C17 H28 N6 O5,His Ile Gln Esi+9.754987,396.2117,9.754987,0.010212596,0.006581632,0.027442778,0.000867919,0.076921302,0.126352773,0.042753645,0.136500044,0.105755982,0.173177171,0.204153942,0.019428966,0.211700603,0.088015473
6197,C28 H53 N O8 P,"PC(18:2(9Z,12Z)/2:0)[U] Esi+12.56201",562.351,12.56201,1.753952216,1.795508883,1.408777484,1.654343307,1.566429234,1.68410208,1.612686689,1.555618319,1.749671068,1.324116795,1.594408034,1.488182926,1.677539492,1.477011247
6198,C16 N O16 P S2,C16 N O16 P S2,556.8429,11.094976,0.466474087,0.771382026,0.211577505,0.508671556,0.272745386,0.53688119,0.326926914,-0.164812091,-0.341485348,0.045956006,-0.183245072,-0.133476788,-0.236352883,-0.118687106
6199,C36 H71 O10 P,PG(16:0/14:0),694.4708,13.093995,0.827430136,0.877359514,0.748829902,0.916990533,0.656845854,0.833940241,0.837523178,0.595656302,0.631517682,0.552874306,0.648172904,0.490773542,0.626897276,0.575514095
6200,C31 H67 N18 O2 S2,C31 H67 N18 O2 S2,787.5141,12.315986,1.160971086,1.149882208,1.118944852,1.150710476,1.060681797,1.257493032,1.084476686,0.704530216,0.738708168,0.663756519,0.73911116,0.626799188,0.815018051,0.633294638
6201,C28 H57 N O8 P,"1,2-Didecanoyl PC Esi+9.246987",566.3821,9.246987,0.223427013,0.175892639,0.262417905,0.45739032,0.104443686,0.475658272,0.056040093,-0.38801651,-0.332567573,-0.454166119,-0.52119973,-0.203241621,-0.509052645,-0.309980054
6202,C12 H18 O3,"3-Ethenyl-2,5-dimethyl-4-oxohex-5-en-2-yl acetate",210.1254,7.8959966,1.24834595,1.27181166,1.140247314,1.258576516,1.11840054,1.268956942,1.170943875,-0.945651316,-0.97181859,-0.914434217,-0.984806206,-0.893695176,-0.958679827,-0.937251354
6203,C18 H31 N,C18 H31 N Esi+11.152015,261.2453,11.152015,1.374772811,1.572028512,1.073115967,1.438649163,1.431190841,1.485084567,1.327056705,-0.477173452,-0.603940652,-0.325942407,-0.447039076,-0.516853979,-0.489393196,-0.469294933
6204,C53 H95 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/22:0)",969.6433,8.719978,0.310801258,0.138288453,0.551499028,0.408146029,0.239730004,0.000645094,0.448961632,-0.144684344,-0.019601539,-0.293905937,-0.142946314,-0.172394432,0.042580286,-0.265420751
6205,C23 H28 O7,Erioflorin methacrylate,438.1674,11.728022,1.919026677,1.633017037,2.298940976,1.922176178,2.00324962,1.96849592,1.936894026,1.665135492,1.438115998,1.935965766,1.585413951,1.777450574,1.653284742,1.672776108
6206,C13 H25 N O5,N-(3S-hydroxydecanoyl)-L-serine Esi+3.9580045,275.1735,3.9580045,0.382530545,0.425307684,0.143433968,0.407664034,0.245047819,0.612934747,0.162073213,0.205277485,0.350166956,0.032426887,0.263073884,0.121164264,0.405917218,0.075917657
6207,C42 H76 N O10 P,"PS(18:1(9Z)/18:2(9Z,12Z))[U]",784.51,15.239013,0.411423957,0.536071745,0.240490797,0.452420397,0.282810798,0.424264949,0.335138157,-0.354954253,-0.533385586,-0.142088803,-0.31299835,-0.348279556,-0.411239679,-0.318664965
6208,C11 H21 N9 O,C11 H21 N9 O,295.1855,6.281005,0.583631695,0.47541199,0.628716552,0.314685621,0.806115781,0.23605496,0.761653104,0.580510054,0.520719237,0.651839449,0.413472371,0.807671125,0.376427044,0.712089889
6209,C31 H8 N O20,C31 H8 N O20,713.964,11.253003,0.880397415,0.99826551,0.751391389,0.773838146,0.876600672,1.037907125,0.782750438,0.513848849,0.620974568,0.386049746,0.5266644,0.469643504,0.668966418,0.413838838
6210,<none>,<none> Esi+11.181973 :1,428.7845,11.181973,1.490502884,1.579156641,1.461851646,1.509534345,1.457575324,1.63546463,1.47579103,0.769189517,0.843940922,0.680012402,0.802323034,0.694726984,0.86284321,0.708807531
6211,<none>,<none> Esi+10.967022,582.7273,10.967022,0.812172265,0.717625676,0.768617646,0.91323654,0.533980392,0.553899963,0.875050614,-0.422842451,-0.401271047,-0.448576757,-0.451799959,-0.398283727,-0.301416957,-0.50112994
6212,C24 H42 O3,"5beta-Cholane-3alpha,12alpha,24-triol",378.3149,14.79704,0.255085189,0.353204872,0.221944881,0.119288809,0.387295029,0.195493854,0.324217492,-0.23122733,-0.253885947,-0.204195997,-0.095318064,-0.42494089,-0.192764111,-0.256025984
6213,C21 H35 N O,Funtumine Esi+12.897967,334.2974,12.897967,0.584962239,0.911420334,0.002053717,0.504555357,0.628894084,0.734172192,0.454421634,-0.162943978,-0.279239252,-0.024205756,-0.125729172,-0.204624601,-0.213812866,-0.130146931
6214,C43 H77 N7 O6 P S2,C43 H77 N7 O6 P S2 Esi+14.49803,882.5102,14.49803,1.323940135,1.245241272,1.445118435,1.389028483,1.319022367,1.366076498,1.309922229,0.91002533,0.886024222,0.938658231,0.923785967,0.885384618,0.94034234,0.890478836
6215,C19 H41 N O2,C19 H41 N O2 Esi+11.321027,315.3137,11.321027,0.552531624,0.571346948,0.628417849,0.579809184,0.502731239,0.651920347,0.538886712,-0.58137968,-0.733755711,-0.399597748,-0.666691276,-0.466527669,-0.801863677,-0.439225524
6216,C36 H54 O6,OH-Diaponeurosporene glucoside ester,582.3853,15.210989,0.629607846,0.54068513,0.899461054,0.817763644,0.583493807,0.741230712,0.639250152,0.522551205,0.427424503,0.636035692,0.586024843,0.4453142,0.473260602,0.554330673
6217,C44 H92 N9 O6 P S,C44 H92 N9 O6 P S,905.664,13.992977,0.054386552,0.141857731,0.228605024,0.079119308,0.087087898,0.168250254,0.04619424,0.025928932,-0.030245074,0.092943536,0.052246397,-0.029037439,0.141827602,-0.04879521
6218,C38 H72 N O9 P,PS(P-18:0/14:1(9Z)) Esi+9.517983,717.4866,9.517983,0.439243395,0.346666377,0.449626872,0.326101686,0.435021571,0.535504336,0.308568105,0.198839297,0.229363067,0.162424975,0.188329728,0.197875688,0.315312934,0.123744453
6219,C16 H26 O7,8-Epiiridodial glucoside,352.1505,9.813985,0.664975618,0.512923151,0.800220621,0.516072305,0.860145675,0.657678575,0.635592848,0.391109445,0.326479464,0.468211879,0.253798575,0.550050164,0.391578596,0.390806967
6220,C42 H83 Cl3 N9 O,C42 H83 Cl3 N9 O,834.5775,13.675031,0.524063053,0.57260775,0.22218557,0.545455997,0.292027378,0.294344629,0.514424158,-0.165705714,-0.231437758,-0.087288538,-0.15006093,-0.205716396,-0.074166347,-0.224724516
6221,C30 H19 N8 O S,C30 H19 N8 O S,539.141,14.697018,1.313638293,1.292086986,0.98892421,1.135336948,1.198977392,1.079789445,1.238144872,-2.779302392,-2.972519865,-2.548797336,-2.661591479,-2.913442837,-2.791209136,-2.771625675
6222,C28 H45 N21 O P,C28 H45 N21 O P,722.3863,13.08001,1.385921493,1.203462937,1.568463693,1.27424723,1.440423739,1.119831204,1.488874724,1.319128632,1.127806264,1.54737286,1.264435432,1.387009331,1.109352829,1.454378821
6223,C31 H48 O6,Pokeberrygenin Esi+10.68701,533.3664,10.68701,1.307543689,1.338577484,1.254531785,1.364097432,1.245853419,1.231750565,1.349467749,-1.158947191,-1.273766043,-1.021970314,-1.247175602,-1.084438668,-1.089519696,-1.203709654
6224,C28 H28 N3 O,C28 H28 N3 O,422.2298,10.541014,1.383610273,1.338876108,1.337911304,1.312018176,1.313210916,1.240539115,1.486479171,1.511344776,1.544214933,1.472131256,1.524238045,1.464344267,1.448918382,1.551593372
6225,C32 H37 N7,C32 H37 N7,519.3144,10.12198,1.753186237,1.814324091,1.542271128,1.928883267,1.483818121,1.761440697,1.69964686,2.211597164,2.353104714,2.04278114,2.352660356,1.985463459,2.410021473,2.083665701
6226,C9 H12 N6 O4,8-Azaadenosine,268.0926,7.186007,0.11528294,0.183125146,0.007336135,0.032535577,0.214201641,0.130006489,0.239953435,-0.187754277,-0.235486435,-0.130810649,-0.043195162,-0.373005192,0.083202763,-0.362450262
6227,C26 H56 N9 O S2,C26 H56 N9 O S2,574.3999,14.270016,1.089138787,0.760611976,1.303601609,1.103924997,0.910755971,0.891418832,1.092195915,0.923930675,0.745496825,1.136799129,0.987795566,0.814097605,0.900348715,0.939134834
6228,C34 H52 O6,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid Esi+15.18097",556.3714,15.18097,1.366719802,1.504513656,0.954082964,1.377252131,1.201459375,1.223674131,1.304588171,-0.96705515,-1.181609364,-0.711095737,-0.884096688,-1.082131502,-0.838357746,-1.050031109
6229,C16 H20 O8,Linocinnamarin,339.1093,11.19399,1.671657514,1.712906847,1.830891221,1.659502234,1.98375412,1.8131254,1.744099926,1.634477263,1.431517482,1.876604721,1.46463367,1.904375892,1.472354106,1.739004035
6230,C17 H31 F3 O,Palmityl Trifluoromethyl Ketone,330.2132,7.3179936,1.054294998,0.913658141,1.007681174,0.871885101,1.025806102,1.062399403,0.937934236,0.475381324,0.458576227,0.495429509,0.458288042,0.49336598,0.5426529,0.43200886
6231,C31 H57 N11 P,C31 H57 N11 P Esi+15.406004,614.4515,15.406004,1.924585858,1.931921931,1.769548011,1.930399035,1.808849679,1.971453174,1.819274482,-2.986598935,-3.21486441,-2.714282229,-2.973696636,-2.986915031,-3.087475558,-2.92156006
6232,C36 H50 O7,"Glycosyl-4,4'-diaponeurosporenoate Esi+7.4389906",594.3587,7.4389906,0.504604755,0.754184835,0.072466136,0.488328275,0.299750849,0.732171635,0.275680584,0.179014707,0.33406033,-0.005952001,0.217311366,0.10169648,0.337280599,0.076974855
6233,C35 H52 O8,Phorbol 12-tiglate 13-decanoate Esi+11.083986,600.3681,11.083986,0.434817854,0.736575227,0.242702051,0.465568989,0.238599284,0.513288197,0.295850831,-0.152624524,-0.328086245,0.056698231,-0.166640015,-0.125940799,-0.228820501,-0.10349817
6234,C25 H40 O4,"Androstane-3,17-diol dipropionate Esi+11.232001 :1",404.2932,11.232001,0.507572457,0.515721203,0.428396871,0.618944629,0.361703789,0.313222804,0.544079324,-0.178315013,-0.167746648,-0.190922887,-0.158968076,-0.228646882,-0.061421029,-0.253680872
6235,C30 H52 N6 O4,C30 H52 N6 O4 Esi+15.228024,560.4058,15.228024,0.866621718,0.963968055,0.609918501,0.840328016,0.852534949,0.71759493,0.851110696,-0.409052643,-0.534498129,-0.259398379,-0.315204041,-0.556798033,-0.306855224,-0.474943084
6236,C34 H61 N O2,"1,1'-(1,4-Dihydro-4-nonyl-3,5-pyridinediyl)bis[1-decanone] Esi+4.6320024",514.46,4.6320024,0.860601704,0.924086904,0.604044126,0.884873357,0.796389204,0.789096643,0.898048106,0.452757422,0.611134465,0.263816388,0.47096816,0.433492346,0.452641047,0.452832453
6237,C22 H40 Cl O8 P S4,C22 H40 Cl O8 P S4,626.1034,13.717026,0.00864892,0.089058439,0.233195364,0.106811872,0.049071287,0.110074049,0.001730555,0.11107594,0.067780533,0.162726602,0.161622693,0.017894855,0.152657065,0.084267058
6238,C45 H61 N3,C45 H61 N3,643.4854,13.9189625,0.502032174,0.389285851,0.697724915,0.37437014,0.801324268,0.253119063,0.741672576,0.418542693,0.249382714,0.620347579,0.25592188,0.655290777,0.112030014,0.616162709
6239,<none>,<none> Esi+14.343995,948.5425,14.343995,0.526264118,0.68595374,0.200686348,0.598603213,0.395221075,0.463253858,0.49855283,-0.462300467,-0.651407966,-0.236698539,-0.49406573,-0.454795187,-0.455364782,-0.466772159
6240,C13 H19 N O2,2-(diethylamino)-4'-hydroxy-Propiophenone Esi+7.4310217,221.1365,7.4310217,0.084994184,0.300962091,0.047280607,0.158748816,0.13267023,0.471838988,0.099457116,-0.084197007,-0.086441588,-0.081519262,-0.090680219,-0.070787165,-0.23367308,0.012175724
6241,C18 H34 N6 O4,C18 H34 N6 O4,398.2645,13.498029,0.660415576,0.745146584,0.483914199,0.625733159,0.621614307,0.528376822,0.684109933,-0.471868876,-0.607232513,-0.310382432,-0.455356351,-0.52817675,-0.388896817,-0.52536402
6242,C43 H67 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) Esi+13.695006",764.4312,13.695006,1.01523607,1.171627954,0.641675188,0.892330986,0.922440685,0.895317586,0.975661846,-1.482382964,-1.781385841,-1.125677776,-1.380291366,-1.618882541,-1.506429221,-1.466879456
6243,C19 H32 N6 O5,C19 H32 N6 O5 Esi+10.972986,424.2694,10.972986,0.004942848,0.127941318,0.164630688,0.001237832,0.037556186,0.003140027,0.012356304,0.042051086,-0.024497879,0.121442834,0.107438822,-0.064498092,0.102788353,0.002891532
6244,C47 H87 O13 P,"PI(16:0/22:2(13Z,16Z)) Esi+12.948979",889.581,12.948979,0.42824303,0.245206826,0.779263674,0.421288568,0.58390837,0.105559601,0.674388921,0.245007026,0.161343609,0.344816016,0.226428634,0.295922764,0.117663933,0.32710981
6245,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me)",404.3645,16.164011,1.330675146,1.35329435,1.087490043,1.25590758,1.216900561,1.187911523,1.28213512,-1.052596366,-1.166572026,-0.916625404,-1.023197774,-1.096196574,-0.984339032,-1.096604385
6246,C11 H24 N O2,Caproylcholine Esi+1.096999,201.1725,1.096999,1.449536739,1.432378735,1.495385731,1.392612202,1.659499674,1.507801494,1.439540619,0.680167619,0.767696202,0.575747555,0.669050292,0.707112478,0.766946536,0.624218054
6247,C11 H18 N7,C11 H18 N7,248.1619,6.0529876,0.710031878,0.776776905,0.460542687,0.778385933,0.493379779,0.82401849,0.488336454,-0.290030825,-0.344532949,-0.225010747,-0.306314042,-0.242786685,-0.365792215,-0.241184665
6248,C13 H25 N O5,N-(3S-hydroxydecanoyl)-L-serine Esi+0.8860013,275.1723,0.8860013,0.030284041,0.042565651,0.357927113,0.273112379,0.492599465,0.183683702,0.331947101,0.221959139,0.161306675,0.294316465,0.136004455,0.320531885,0.074242889,0.317197248
6249,C36 H64 O10,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid Esi+15.2939625,656.4573,15.2939625,0.865395773,0.912468426,0.619826283,0.865993656,0.725069828,0.684618995,0.854232999,-0.675398328,-0.785820939,-0.54366609,-0.633255928,-0.738892589,-0.539005475,-0.763335824
6250,C10 H18 N2 O6 S,gamma-L-Glutamyl-L-methionine sulfoxide,294.086,6.194986,0.801996651,0.806016757,0.845166962,0.917165993,0.877179422,0.945028206,0.732671229,-0.54131979,-0.638940075,-0.424860502,-0.489931834,-0.611934195,-0.619092262,-0.491177011
6251,C19 H26 N O4,Oxitropium,309.202,6.9260163,0.765871473,0.938415998,0.330428363,0.561864913,0.919395776,0.586544414,0.805638439,0.75421015,1.009846876,0.449240021,0.646910932,0.899085111,0.727502602,0.771429491
6252,C22 H41 N O,Pipericine Esi+13.811021,335.3172,13.811021,1.115015829,1.138041165,1.04701568,1.234547872,0.897992256,0.997908084,1.150162048,-0.914146565,-0.968081603,-0.849803011,-1.005291107,-0.784423575,-0.851447216,-0.954571146
6253,C22 H34 N12 O2,C22 H34 N12 O2,498.2882,8.734007,1.271493224,1.204666565,1.07173385,1.187015373,1.173622192,1.114534415,1.164627675,1.245959889,1.331672436,1.143706325,1.210016313,1.277768206,1.250091499,1.243296089
6254,C40 H46 O8,Argenteane,654.324,11.333986,0.785035081,0.695578202,0.853224654,0.846913434,0.575730036,0.906362032,0.709389553,0.620772948,0.574218007,0.676312176,0.737925001,0.436167696,0.766137901,0.527050807
6255,C16 H26 O2,"4,7,10-Hexadecatrienoic acid",250.1925,15.330013,1.795581092,1.970570063,1.428499463,1.882379973,1.610570151,1.874362911,1.724955799,-1.855354626,-2.092776063,-1.572115016,-1.895143853,-1.775858575,-1.827385021,-1.87338766
6256,C9 H14 O3,C9 H14 O3 Esi+5.4449916,170.0941,5.4449916,0.196406928,0.431882501,0.259658612,0.191625121,0.191968218,0.07060624,0.20668192,-0.010844752,-0.208067427,0.224438439,0.021817133,-0.059311226,0.023044905,-0.032694662
6257,C16 Cl3 O3 P S5,C16 Cl3 O3 P S5,535.7239,5.767998,1.572927377,1.588485772,1.346704918,1.327825326,1.7521654,1.180465036,1.710574354,1.155991395,1.239287874,1.056620158,1.019274813,1.381331099,0.957959262,1.283670008
6258,C28 H41 N8 O17 P3 S,Anthranilyl-CoA,908.1259,13.781986,0.892537922,0.826408414,0.686445314,0.848645397,0.65449342,0.689937241,0.809907297,-0.365297117,-0.399323111,-0.324704704,-0.328104664,-0.433891398,-0.31303093,-0.398995054
6259,C15 H24 N6 O5 S,His Asn Met,400.1592,8.833986,0.427784718,0.534454059,0.107123145,0.412403457,0.189832854,0.588009351,0.219239962,-0.356185222,-0.473387511,-0.216364947,-0.5052068,-0.131429097,-0.578043855,-0.213144787
6260,C20 H24 N2 O6,Nisoldipine,388.1632,3.7940054,0.257753533,0.205091809,0.289681574,0.386472735,0.10894822,0.019062522,0.421824643,-0.243410939,-0.26221097,-0.220982832,-0.284751609,-0.169442039,-0.055753691,-0.364400481
6261,C18 H36 N6 O6,Istamycin A2,432.2695,7.6390133,0.27787179,0.494249195,0.087442607,0.267761682,0.160442031,0.627901765,0.050519258,0.103721217,0.257919647,-0.080234804,0.128415434,0.050841107,0.293462859,-0.01861221
6262,C16 H24 N6 O5,His Gln Pro Esi+8.310023,358.1989,8.310023,0.965571999,1.14890037,0.858351645,0.940705994,1.013984529,1.444087947,0.701760746,-0.646433528,-0.715541484,-0.563988949,-0.721822502,-0.514163986,-0.832891252,-0.526217364
6263,C15 H26 N6 O7,Gln Gln Gln,402.1882,6.4739995,0.635795511,0.467498207,0.81694983,0.488506556,0.840139904,0.64455881,0.61862066,-0.476156424,-0.441174804,-0.517888882,-0.361540184,-0.636812166,-0.481917265,-0.472442197
6264,C14 H42 Cl N17 O,C14 H42 Cl N17 O Esi+12.43701,499.3471,12.43701,0.105418362,0.035532743,0.070930561,0.279996469,0.246751719,0.095987684,0.014771287,0.008781103,0.043645286,-0.032811256,-0.041991425,0.061796682,-0.010655533,0.021312618
6265,C34 H52 O6,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid Esi+10.957014",578.3534,10.957014,0.285645912,0.591963856,0.385169676,0.37636157,0.047834719,0.330947239,0.189704539,-0.072241959,-0.233170077,0.119742463,-0.099316714,-0.033004541,-0.111486478,-0.046939572
6266,C44 H72 O12,Tetranactin,792.5026,15.157975,0.341477236,0.290983755,0.284681598,0.30817666,0.305477149,0.269002577,0.258612376,-0.138245601,-0.145853484,-0.129169531,-0.097348322,-0.214040993,-0.102479737,-0.161305172
6267,<none>,<none> Esi+12.31299 :1,785.0352,12.31299,0.246671506,0.165676215,0.411838019,0.200012617,0.352431956,0.335673299,0.218457876,0.184454843,0.158581814,0.215320912,0.197592976,0.142662157,0.245823375,0.144888289
6268,C14 H22 O5,C14 H22 O5 Esi+7.4930153,270.1462,7.4930153,0.083524707,0.116063997,0.024758218,0.181494389,0.005997366,0.061459559,0.144634861,-0.026866308,-0.062554487,0.015709064,-0.051979483,-0.013338382,0.043672909,-0.072345539
6269,C42 H64 N5 O4,C42 H64 N5 O4,701.5267,14.206037,0.529267152,0.345584713,0.781909882,0.470717465,0.55111338,0.453343397,0.578884904,0.420333209,0.287349578,0.578980348,0.391911957,0.44533058,0.385408229,0.44285063
6270,C32 H62 Cl N11 O4,C32 H62 Cl N11 O4,698.4722,13.761982,1.26877637,1.292028133,1.19461598,1.333754325,1.201243051,1.379067207,1.215915243,2.646464156,2.724177512,2.553753486,2.67768669,2.67126434,2.845820575,2.517931728
6271,C40 H73 Cl2 N11,C40 H73 Cl2 N11,777.5438,9.666014,0.628468712,0.575274564,0.650130834,0.778874371,0.41520269,0.37035713,0.664507799,-0.309730515,-0.268145685,-0.359340488,-0.318874213,-0.311866469,-0.142319734,-0.417666414
6272,C21 H36 F O2 P,Methyl Arachidonyl Fluorophosphonate,369.2353,0.87199837,0.310279769,0.677334977,0.228146452,0.227247139,0.499369978,0.199628126,0.437349686,-0.067136312,-0.195065467,0.085480925,-0.041211747,-0.117384979,-0.054162724,-0.075500862
6273,C26 H19 N5 O13 S4,C.I. Food Black 2 Esi+11.995028,735.9779,11.995028,1.935564052,1.911456867,1.901468242,1.956529172,1.837069258,1.781483461,1.964492875,1.753311629,1.806662622,1.68966483,1.769834846,1.698979104,1.662363807,1.81194904
6274,C32 H62 Cl N6 P S,C32 H62 Cl N6 P S,628.4309,14.561021,0.246333444,0.414734273,0.120819977,0.207798209,0.203660201,0.262986145,0.143900064,-0.036927489,-0.186336914,0.141315333,0.005463842,-0.10743081,-0.050230038,-0.028350846
6275,C21 H44 O4,C21 H44 O4 Esi+15.364991,360.3235,15.364991,0.192307149,0.445666204,0.282686272,0.245125106,0.057220623,0.302229401,0.055760166,-0.160551513,-0.344376748,0.058748767,-0.251667576,-0.045555364,-0.238100024,-0.110553132
6276,C28 H38 N6 O2,BIX01294 Esi+14.862044,490.3037,14.862044,0.735598304,0.675776989,0.731705017,0.698349478,0.64423224,0.89629661,0.610793628,0.352950283,0.345863356,0.361404863,0.369630758,0.313672006,0.427556909,0.304848643
6277,C11 H14 O5,Dihydrosinapic acid Esi+4.960002,226.0814,4.960002,0.79177745,0.817776721,0.714888192,0.678777138,0.790315216,0.823723414,0.745764705,0.741990223,0.760079704,0.72040979,0.773777694,0.699300379,0.909465636,0.634012654
6278,C19 H33 N O P,C19 H33 N O P,322.233,8.81003,1.05196247,0.983105075,1.053858492,0.933518523,1.152285314,1.024910598,1.001237212,-0.896577141,-0.764182383,-1.054521764,-0.870795946,-0.966764654,-0.755832318,-0.987320513
6279,C11 H14 O3,4-Methoxybenzyl propanoate,194.0945,11.266026,1.069350268,0.917543174,1.192896804,1.180480704,0.969568427,1.125008804,1.140697,0.380943058,0.316389051,0.457954856,0.42896156,0.313238722,0.374198499,0.385291523
6280,C43 H52 N4 O6,Epivoacorine,720.3841,13.138978,1.261518579,0.870919761,1.799839792,1.336936929,1.262087474,1.103765082,1.385802319,0.600551763,0.456471335,0.772437186,0.609712188,0.587470204,0.538408204,0.640618005
6281,C40 H77 O9 P,PG(P-16:0/18:1(9Z)),732.5323,15.110037,0.734465131,0.87290447,0.385399435,0.685012045,0.704765086,0.826650227,0.674209797,-0.597009355,-0.723103105,-0.446581724,-0.570578408,-0.623630998,-0.613653721,-0.586278119
6282,C15 H21 N3 O5,Tyr Ala Ala Esi+7.185024,322.1389,7.185024,1.084964342,0.963563627,1.239774178,0.950669618,1.323163408,1.044182787,1.111517023,-0.318721378,-0.248731735,-0.402217793,-0.248915186,-0.413010633,-0.259384649,-0.356977953
6283,C22 H42 O8,Polysorbate 60,456.2714,10.866967,1.077903886,0.881056893,1.2203337,0.924294357,1.090751815,0.925839511,1.115010873,1.046377533,0.956727729,1.153328177,1.020514305,1.054574378,0.991004489,1.082078575
6284,C12 H15 N3 O4,Agaritinal,264.0973,9.376979,0.081925112,0.176213054,0.274608506,0.025524937,0.065533217,0.222268822,0.081748134,-0.015980283,-0.156853032,0.152078434,-0.001660011,-0.029839963,-0.10074801,0.038672593
6285,C21 H39 N O5,N-palmitoyl glutamic acid Esi+9.395997,385.2816,9.395997,0.312169062,0.452647318,0.113293517,0.399788209,0.2311987,0.646020352,0.203917305,0.251213009,0.386635997,0.08965576,0.319538481,0.15135734,0.408864341,0.149569387
6286,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+12.2549715",364.1861,12.2549715,2.167352983,2.018029103,2.371048995,2.191923427,2.251317872,2.149868592,2.237184514,1.941966324,1.759692271,2.159416072,1.864415153,2.028035283,1.828140396,2.015354094
6287,C11 H22 N6 O5,Ser Arg Gly,318.1671,4.7119946,0.189940898,0.007993214,0.421451791,0.031145702,0.528761996,0.00954654,0.373271653,-0.198477396,-0.060668426,-0.362881078,-0.032176971,-0.444644855,-0.00571597,-0.322757788
6288,C25 H42 N6 O3,C25 H42 N6 O3,472.3167,14.201985,0.782028904,0.929927865,0.424989726,0.730939241,0.651045766,0.710160259,0.726785847,-0.514676241,-0.658137265,-0.343529757,-0.48998487,-0.546212263,-0.500976549,-0.523508938
6289,C22 H28 Cl N9 P S4,C22 H28 Cl N9 P S4,612.0782,10.907978,0.777886123,0.72795703,0.726255718,1.0044744,0.40046643,0.644171469,0.750419657,-0.358380034,-0.341141518,-0.378945281,-0.412708416,-0.294633555,-0.266242047,-0.417784788
6290,C43 H71 N8 O11,C43 H71 N8 O11,875.5235,10.979985,0.496436761,0.183873053,1.091057888,0.490983826,0.601598148,0.442347108,0.589050759,0.260433174,0.120354837,0.427544173,0.273403309,0.243687023,0.229804935,0.280180328
6291,C14 H6 O22 P,C14 H6 O22 P Esi+13.968995,556.9073,13.968995,0.366978617,0.452755697,0.061271558,0.441689956,0.158504918,0.209182213,0.335226606,-0.122934947,-0.174657635,-0.061230687,-0.118326747,-0.142181229,-0.049116989,-0.170528104
6292,C14 H16 O5,1'-Acetoxyeugenol acetate Esi+5.8630023,264.0987,5.8630023,0.358777027,0.049106129,0.608839092,0.152265892,0.36711378,0.24322778,0.324720563,0.268723806,0.112424328,0.455186341,0.304693388,0.246207959,0.265537406,0.270778195
6293,C28 H47 N21 P,C28 H47 N21 P,708.4054,13.5,0.38939148,0.406629452,0.196668255,0.269396189,0.41086537,0.166407314,0.421244073,-0.280301338,-0.412584208,-0.122490194,-0.176160064,-0.436310467,-0.195073582,-0.335250812
6294,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.237045",521.4159,16.237045,2.081940195,2.176537785,1.93473658,2.169870316,2.070572894,2.124149269,2.097040366,-1.773434893,-2.025777145,-1.472395013,-1.736422699,-1.82815648,-1.681105529,-1.832963036
6295,C21 H43 N14 O9 P S,C21 H43 N14 O9 P S Esi+6.301015,698.2803,6.301015,1.982769047,1.886332999,1.908558738,1.85406849,2.067386713,1.836413441,2.011922348,2.200318504,2.350015054,2.021733145,2.052676499,2.393858545,2.202022492,2.19921988
6296,C36 H69 N6 O5 P S,C36 H69 N6 O5 P S,728.4729,14.655024,1.813625222,1.836809953,1.740366555,1.742919878,1.900378515,1.511001121,2.004675917,1.374576836,1.42981212,1.308682112,1.32109983,1.443137111,1.17054984,1.506120558
6297,C22 H33 N14 P S5,C22 H33 N14 P S5,684.1356,13.480973,0.256670204,0.260388421,0.142953513,0.308568375,0.074491286,0.206019577,0.215844883,-0.053992105,-0.084727825,-0.01732493,-0.079230765,-0.034928835,-0.045989056,-0.059151966
6298,C42 H69 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",764.4702,14.252991,0.775504245,0.746052605,0.762256494,0.853141824,0.647262175,1.094308234,0.607440996,0.887703536,0.850770289,0.931764253,0.943233774,0.797675528,1.167504778,0.707305367
6299,C28 H42 N10 O2,C28 H42 N10 O2,550.3558,14.446031,0.154018769,0.067006395,0.394495981,0.307634045,0.081677126,0.381544485,0.140720909,0.201235666,0.125563356,0.291511404,0.259748225,0.101158043,0.277092261,0.152328124
6300,C23 H44 O5,"1,2-Didecanoyl-sn-glycerol Esi+9.172993",400.3196,9.172993,0.323356461,0.453377794,0.160001311,0.387540544,0.154042927,0.593022106,0.114941629,-0.274640374,-0.346602933,-0.188790303,-0.37090135,-0.148833917,-0.421854515,-0.179725993
6301,C26 H37 N O3,Fesoterodine,411.2826,9.769021,0.683586941,0.73107162,0.651461691,0.802578595,0.650619409,0.621211383,0.756763097,-0.693821243,-0.723474517,-0.658445407,-0.747583617,-0.658530322,-0.598092889,-0.755540839
6302,C7 H10 N2 O,"2-Methoxy-3,5-dimethylpyrimidine",138.079,0.8289985,0.692336327,0.918171309,0.315826323,0.805402767,0.561208349,0.860678521,0.505248407,-0.372912576,-0.603971433,-0.097263414,-0.433634338,-0.288274283,-0.528068661,-0.272877732
6303,C53 H95 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/22:0) Esi+14.210999",970.6481,14.210999,0.207609569,0.271622673,0.104926378,0.335590558,0.033285323,0.181998337,0.220968147,0.053615705,-0.021698527,0.143464262,0.036702861,0.076624596,0.123697258,0.008431546
6304,C33 H69 N24 O,C33 H69 N24 O,817.6097,14.219975,0.591291967,0.701723582,0.352610042,0.726501289,0.298033649,0.889387357,0.340461857,0.609443986,0.698097734,0.50368162,0.724340248,0.422401413,0.936283395,0.398718577
6305,C14 H20 N6 O5,C14 H20 N6 O5,352.1623,5.3730035,0.112640058,0.001410228,0.141113189,0.119122561,0.323058935,0.035379596,0.11960634,-0.019782027,0.020668314,-0.068038575,0.11874842,-0.222382086,0.092241986,-0.092008036
6306,C27 H42 N2 O2,Cerdlan Esi+13.135988,425.3169,13.135988,1.269672566,1.438686865,0.961021032,1.358919633,1.244083719,1.332557114,1.290334784,-0.617477874,-0.732209199,-0.480605417,-0.623273467,-0.620143016,-0.649207603,-0.597020549
6307,C42 H53 N2 O,C42 H53 N2 O,601.4151,13.259018,0.073267297,0.131558238,0.087309467,0.278713453,0.266272702,0.050930746,0.051868365,-0.073260605,-0.071149449,-0.075779176,-0.168332219,0.039867637,0.007195931,-0.125133898
6308,C11 H19 N O4,C11 H19 N O4,229.1313,4.0780025,0.010764158,0.080236233,0.163471351,0.089526554,0.100594021,0.266802709,0.176102133,-0.002315047,-0.134481083,0.155356715,-0.049832032,0.078509571,0.226079094,-0.149569164
6309,C16 H43 N21 P,C16 H43 N21 P Esi+12.524978,560.3745,12.524978,0.253017381,0.182044875,0.263774311,0.094549985,0.485692044,0.053958125,0.30951658,-0.067847066,-0.053299524,-0.085202029,0.085164278,-0.318738329,0.057205877,-0.148473306
6310,C28 H42 O6 S,geodisterol-O-sulfite Esi+6.900016,506.2695,6.900016,0.146076302,0.147919674,0.420162471,0.064095333,0.073783744,0.109944398,0.218487131,-0.135372255,0.048174428,-0.354340229,-0.106638305,-0.195770323,0.013547133,-0.231386071
6311,C47 H78 Cl3 N6,C47 H78 Cl3 N6,829.5575,14.551021,0.919442064,1.051589863,0.523728265,0.977968502,0.707062786,0.694136446,0.934906659,-0.560227279,-0.741391952,-0.344101002,-0.565784679,-0.559760762,-0.460991468,-0.624208262
6312,C24 H25 N3 O6,Nap-Lys-OH Esi+9.826006,450.166,9.826006,0.330776585,0.223709744,0.595784023,0.3200983,0.47790483,0.100234563,0.570763538,0.167156495,0.138474815,0.201373237,0.120748346,0.21599253,0.08324031,0.221260351
6313,C33 H53 N O6,gamma-Chaconine Esi+7.8659906 :1,559.3927,7.8659906,0.731039401,0.707685726,0.837694453,0.868466634,0.536016106,0.905583843,0.620354184,-0.643628095,-0.563568946,-0.739137256,-0.772669969,-0.489652282,-0.709054826,-0.601445071
6314,C21 H38 O7,Erythronolide B Esi+10.946024,402.2614,10.946024,0.195328691,0.026967739,0.271720157,0.065712009,0.160064297,0.229227998,0.159456246,0.222172208,0.154849873,0.302486573,0.273290433,0.137986489,0.336467284,0.148481962
6315,C30 H48 O5,21beta-Hydroxyhederagenin Esi+13.999019,488.3434,13.999019,0.708215415,0.828387899,0.481381444,0.692747699,0.781400053,0.675318269,0.679784424,-0.401627479,-0.517411349,-0.263499355,-0.319808628,-0.522647524,-0.356292723,-0.430856467
6316,C27 H53 N8 O4 P,C27 H53 N8 O4 P,584.3993,13.749019,0.082152801,0.031821849,0.284158443,0.110858451,0.111861882,0.009474438,0.236209936,0.145117954,0.077648101,0.225608305,0.203305188,0.037249811,0.162141002,0.134142568
6317,<none>,<none> Esi+12.716004 :1,794.5214,12.716004,1.428844757,1.373558155,1.492745292,1.448100123,1.390180173,1.413285345,1.470130938,0.746904857,0.778451868,0.709269827,0.767055463,0.696108247,0.776121268,0.728067961
6318,C32 H63 N2 O7 P,"PE-Cer(d14:2(4E,6E)/16:0(2OH)) Esi+8.488014 :1",617.4362,8.488014,0.906756098,0.862481497,0.944768847,1.107830955,0.597854608,0.944146258,0.788664591,-0.508721695,-0.443192825,-0.586896487,-0.56600205,-0.444115348,-0.437087556,-0.554906863
6319,C16 H27 N8,C16 H27 N8,331.2336,5.942994,0.072253639,0.129835067,0.332603963,0.106288195,0.009651967,0.156441187,0.229627102,-0.146187024,0.148060236,-0.497218843,-0.157939606,-0.139291356,0.053677356,-0.275046953
6320,C17 H28 N6 O5,Gln Ile His,396.2111,11.132006,0.624051982,0.424941791,1.003840242,0.373099589,0.912310833,0.459808921,0.805244409,0.330908536,0.252030611,0.425008516,0.242171888,0.43958272,0.227654873,0.397479976
6321,C49 H69 N4 S,C49 H69 N4 S,745.554,14.335991,0.057570354,0.208250005,0.513276487,0.207976888,0.018334086,0.00245333,0.187605949,0.202842324,0.040352253,0.396690129,0.256543462,0.112286626,0.157905743,0.231814594
6322,C12 H17 N O2,MDMA methylene homolog Esi+0.87600267,207.1248,0.87600267,0.116677419,0.180973969,0.641413459,0.242529457,0.548597349,0.246027301,0.561175958,0.103746529,-0.025408121,0.25782576,0.039996865,0.184694935,-0.01253406,0.178716908
6323,C10 H18 N5 O19 P5,adenosine 5'-pentaphosphate Esi+13.063979,683.9544,13.063979,1.501280206,1.471518735,1.547422898,1.397808665,1.592818788,1.446049887,1.556233865,0.839739825,0.872952034,0.800118243,0.831862884,0.834504182,0.850853539,0.832574404
6324,C29 H61 N O7 P,PC(O-16:0/5:0),588.3964,9.168973,0.534954018,0.574344559,0.420881275,0.719718633,0.204925406,0.772091321,0.347932405,-0.726364249,-0.73497898,-0.716087025,-0.902510826,-0.488123806,-0.914870805,-0.604827127
6325,C19 H18 N3 O24 P,C19 H18 N3 O24 P Esi+14.158989,703.0009,14.158989,0.525268023,0.624825347,0.237054576,0.606704999,0.318437235,0.432286016,0.485392724,-0.210777859,-0.277793281,-0.130829636,-0.19652536,-0.2378687,-0.150513015,-0.249632825
6326,C45 H70 N13 O10,C45 H70 N13 O10,952.5371,14.004957,0.314020717,0.474534665,0.020036633,0.286258861,0.297247904,0.221879723,0.314536729,-0.234791771,-0.460033851,0.03391808,-0.152769496,-0.381683918,-0.204110998,-0.254572796
6327,C41 H74 N O8 P,"PE(P-16:0/20:4(6E,8Z,11Z,14Z)(5OH[S]))",739.5169,13.826975,0.099421015,0.040207845,0.251910162,0.28665176,0.08484633,0.179274395,0.075719871,0.003679202,0.014350682,-0.009051687,0.264991431,-0.336229523,0.140514711,-0.084543692
6328,C41 H81 N2 O10 P,C41 H81 N2 O10 P,792.5617,11.250982,0.232541063,0.115741606,0.418762441,0.16689447,0.277394372,0.33585215,0.202663631,0.159130673,0.137595006,0.184822347,0.184753957,0.096716973,0.256788048,0.096167366
6329,C24 H5 N2 O18 P,C24 H5 N2 O18 P,639.9282,13.224046,0.731105243,0.993256777,0.606755897,0.720036405,0.793288833,0.903997853,0.778974178,0.459976842,0.55977096,0.340924209,0.466717421,0.432784103,0.482827252,0.445244341
6330,C22 H48 N2 O5 P,C17 sphingosine-1-phosphocholine,448.3138,14.43504,0.06699837,0.245799022,0.285704566,0.196451456,0.287741266,0.147008139,0.072689694,-0.06714543,-0.271150672,0.176229245,0.015092073,-0.190294511,-0.272967418,0.065555588
6331,C41 H56 O2,Vitamin K2 Esi+10.025978,602.4109,10.025978,0.847201962,0.845717626,0.730041899,1.093001905,0.537617539,0.868008942,0.704520254,-0.51440283,-0.492714884,-0.54027617,-0.593777973,-0.398747939,-0.443553961,-0.560081706
6332,C30 H52 N3 O5,C30 H52 N3 O5 Esi+14.443047,534.3898,14.443047,0.739751923,0.939764876,0.367924788,0.756844727,0.675563464,0.683431868,0.641663232,-0.416185984,-0.573034822,-0.229068072,-0.37826207,-0.486756145,-0.348834007,-0.459610284
6333,C23 H40 O6,3-methoxy Limaprost Esi+14.093995 :1,412.2837,14.093995,0.424849035,0.082870268,0.872166779,0.248549798,0.603098544,0.341179853,0.448544695,0.264260422,0.071100323,0.494697032,0.216635834,0.364983552,0.226336941,0.288711088
6334,C21 H48 N11 O S2,C21 H48 N11 O S2,534.3427,9.598,0.553620365,0.395412197,0.840839592,0.75631542,0.491837707,0.369298877,0.716298929,-0.513477847,-0.313647735,-0.751871665,-0.60624639,-0.421383723,-0.220072558,-0.702647046
6335,C46 H82 N O10 P,"PS(18:0/22:4(7Z,10Z,13Z,16Z)) Esi+13.155025",839.5646,13.155025,0.998364341,0.921875152,1.134412511,1.006253983,0.916544108,1.182465944,0.905295464,0.568890292,0.573893245,0.562921857,0.601270751,0.497757717,0.703778364,0.481922983
6336,C15 H27 N5 O6,Leu Gln Asn,373.1977,4.2609916,0.97133587,0.965174134,0.915147251,1.052256367,0.814969117,1.037533539,0.907980852,0.808841169,0.908000873,0.690545382,0.934310131,0.60759036,0.925105644,0.733881179
6337,C24 H30 O6,Clausarinol Esi+11.781987,436.1873,11.781987,0.282567377,0.279586555,0.065797132,0.037814404,0.474241254,0.311532293,0.10072198,-0.029434307,-0.070095642,0.019073951,0.052466245,-0.152888034,-0.084926551,0.006343586
6338,C42 H84 N O8 P,PE(18:0/19:0)[U],783.5686,15.888968,0.087370931,0.180193899,0.627542358,0.234251001,0.1153841,0.056310254,0.155977495,0.094734957,-0.055111003,0.273498558,0.108605524,0.071658087,0.085453201,0.100719247
6339,C16 H34 O4,C16 H34 O4 Esi+12.849044,290.2455,12.849044,0.091232739,0.003292107,0.193833902,0.034684086,0.246604883,0.080412526,0.211231709,0.292290758,0.151832128,0.45985544,0.228131007,0.424671687,0.089717799,0.422897008
6340,C24 H40 O9,C24 H40 O9 Esi+10.266015,472.2797,10.266015,1.810464766,1.726665046,2.029759613,1.923043411,1.816895692,1.876873969,1.84730822,1.821526242,1.671669206,2.000303056,1.850824487,1.773809435,1.86006289,1.796680245
6341,C18 H36 N6 O4,Leu Ile Arg,400.2779,13.967026,0.304534996,0.384785037,0.028059026,0.261820732,0.326412225,0.272741576,0.22014261,-0.053565337,-0.132731803,0.040878867,0.004392243,-0.14282032,-0.052173066,-0.054462986
6342,C11 H15 N5 O3,N6-Methyl-2'-deoxyadenosine Esi+5.484988,282.1436,5.484988,0.581796593,0.466467385,0.446338555,0.402054345,0.502957114,0.445313498,0.414820624,-0.449561974,-0.506410093,-0.381743166,-0.324907004,-0.552373748,-0.459785816,-0.442970287
6343,C32 H59 N2 O7 S,3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate,632.4269,9.177001,0.176340936,0.21200258,0.081286909,0.368314081,0.069500466,0.371313909,0.04064597,-0.36366387,-0.423395701,-0.292404843,-0.516472715,-0.157146404,-0.489538186,-0.28250806
6344,C8 H12 O,"trans, trans-3,5-Octadien-2-one Esi+7.224984",124.0887,7.224984,0.669530542,0.52798703,0.726659135,0.593932677,0.636592295,0.607652513,0.644353356,0.399887412,0.368564835,0.437254696,0.400444511,0.390020791,0.401650602,0.398750618
6345,C14 H18 N2 O3,Physovenine,262.1309,4.8280025,0.604244515,0.808688025,0.220465324,0.570858302,0.679285914,0.806669561,0.439139035,0.445421405,0.605347624,0.254632232,0.419389766,0.499489872,0.609798315,0.339441556
6346,C13 H20 N6 O4,Valacyclovir,324.1544,7.1629906,0.385552979,0.17966212,0.440852918,0.067052964,0.512300402,0.065874339,0.484338695,-0.061061317,-0.026545666,-0.102237882,-0.023888669,-0.104169663,-0.013305767,-0.091851079
6347,<none>,<none> Esi+5.7979865,654.7743,5.7979865,1.824829807,1.734756255,1.807465855,1.708729851,2.012027603,1.707059997,1.860532902,1.344298748,1.372010877,1.311238664,1.213130381,1.553973196,1.363334464,1.33202572
6348,C40 H54 O3,"(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol Esi+9.538",599.4386,9.538,0.961526916,0.961137583,0.756499226,0.884588479,0.941201965,0.708189143,1.001275962,-0.568617049,-0.638769992,-0.48492582,-0.508663632,-0.66505797,-0.471556504,-0.631195559
6349,C32 H60 O11,Butyl 4'-O-hexadecanoyl-neohesperidoside Esi+7.055019,620.4155,7.055019,0.360369623,0.252700204,0.589763497,0.524834912,0.258361451,0.195862671,0.471874596,-0.172302936,-0.088943058,-0.271749808,-0.191915585,-0.164912701,-0.063155578,-0.242674259
6350,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione Esi+3.9749904",140.0829,3.9749904,0.439244805,0.35820547,0.442088601,0.538039145,0.291554321,0.721351166,0.134797965,-0.373594897,-0.220957959,-0.555688085,-0.408734895,-0.331056929,-0.573471432,-0.244727131
6351,C25 H51 N8 O4,C25 H51 N8 O4 Esi+12.810038,527.4028,12.810038,1.556116977,1.702980439,1.492324945,1.700977702,1.683885385,1.679887738,1.60392564,-0.762517174,-0.848697124,-0.659706007,-0.725842664,-0.793768872,-0.694083683,-0.806638768
6352,C44 H72 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",822.5125,14.995038,1.0449734,0.939204839,1.048714343,0.956059131,1.057040836,1.117977965,0.958463356,1.041884548,1.02860738,1.057723976,1.06398049,1.013499244,1.212879221,0.931637982
6353,C20 H26 O7,Gibberellin A102,378.1659,7.8909926,0.886639798,0.838813069,0.907124295,0.774075299,0.880511229,0.74539514,0.933010715,-0.620703586,-0.584791684,-0.663545855,-0.598362539,-0.606632377,-0.564225979,-0.65711678
6354,C46 H81 O9 P,"PG(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.114012",807.5543,9.114012,0.188704049,0.083575855,0.294975352,0.333942955,0.032235595,0.190957586,0.119041783,-0.275619923,-0.201711344,-0.363791562,-0.357746526,-0.187586603,-0.2227086,-0.309733803
6355,C48 H84 N2 O17,Megalomicin C1,960.5843,8.328986,0.394777429,0.709506873,0.001341209,0.436636115,0.241606415,0.870879885,0.098583571,0.205812494,0.368918771,0.011229566,0.259127732,0.098996419,0.459476752,0.042265801
6356,C18 H31 N O,Crucigasterin 277,277.2396,10.802983,0.9753587,1.204563021,0.552560467,1.035909829,0.996330894,1.141236098,0.864820815,-0.308663156,-0.423722001,-0.171399973,-0.295900069,-0.317275993,-0.346611071,-0.284196738
6357,C30 H44 O5,21-Hydroxyisoglabrolide Esi+8.239992,501.3532,8.239992,0.143851802,0.220586235,0.124365247,0.333167742,0.057156842,0.40280245,0.058324271,-0.174335159,-0.132799127,-0.223886917,-0.294565078,-0.02157934,-0.233297481,-0.136319978
6358,C9 H19 N5 O3 S,Cysteinyl-Arginine Esi+6.8769884,294.1443,6.8769884,0.272506292,0.176271435,0.313532666,0.064491263,0.35373292,0.184093082,0.245975635,-0.259663255,-0.145425479,-0.395946917,-0.255832488,-0.276596398,-0.229178572,-0.279317853
6359,C13 H10 N O21 P S,C13 H10 N O21 P S Esi+13.872015,578.9204,13.872015,0.316651743,0.387277708,0.064690233,0.389626547,0.152560425,0.174006504,0.269628464,-0.093160256,-0.118492604,-0.062939209,-0.060351631,-0.152810104,-0.004723835,-0.150178475
6360,C32 H59 O8 P,"PA(17:2(9Z,12Z)/12:0)",602.4018,14.319011,0.984865803,0.811316977,1.089599634,1.027832856,0.88804707,1.004936556,0.932636805,0.812275333,0.692792193,0.954816622,0.818699126,0.787769872,0.851191491,0.787184651
6361,C17 H32 N6 O6,Glu Ile Arg,416.2385,9.780022,0.105971785,0.197377568,0.451211725,0.184183958,0.439253454,0.094943968,0.206870236,-0.037743123,0.145044532,-0.255805589,0.148544345,-0.319297044,0.080068293,-0.113700484
6362,C37 H65 N8 O3 S,C37 H65 N8 O3 S,699.466,11.770015,0.40673646,0.413349845,0.280997167,0.476745005,0.245886136,0.296941698,0.321026815,-0.231292553,-0.230505322,-0.232231705,-0.179476051,-0.327387304,-0.127626564,-0.298129835
6363,C27 H46,Cholest-5-ene,387.3778,13.552982,0.891294779,0.711541009,0.967803718,0.849542269,0.905556525,0.480353056,1.088088827,0.25440268,0.218872061,0.296790085,0.233311981,0.298476588,0.146442753,0.324008422
6364,C29 H56 N19 O,C29 H56 N19 O,686.4799,13.979984,1.047586058,1.192509647,0.721926748,1.127116821,0.944599102,1.130175407,0.955584225,-0.677367454,-0.857264696,-0.462753199,-0.680771952,-0.687525693,-0.711553364,-0.655326538
6365,C33 H53 N8 O7,C33 H53 N8 O7,673.4046,14.169981,0.403396938,0.729937636,0.055968689,0.552683626,0.168107122,0.663366497,0.16116639,-0.350377322,-0.642450304,-0.001939379,-0.477493634,-0.171956469,-0.589416008,-0.196260275
6366,C20 H32 O8,Cincassiol B Esi+9.038973,400.21,9.038973,0.241204425,0.15483215,0.250579195,0.287236,0.090713679,0.315896516,0.150943322,0.229513273,0.207723703,0.255507848,0.293361262,0.103172791,0.300863725,0.183511008
6367,C4 H8 N6 O,C4 H8 N6 O,156.076,1.0899974,0.172507265,0.197290069,0.049578728,0.141353551,0.029158739,0.07388635,0.14235711,-0.271273597,-0.458799266,-0.047558763,-0.322650786,-0.106241116,-0.245659956,-0.287787654
6368,C21 H39 N O4,C21 H39 N O4,367.2732,10.586009,0.54549474,0.461042673,0.712537693,0.512337488,0.701344147,0.678416611,0.560581115,0.519263002,0.461280223,0.58843544,0.426971004,0.653038681,0.569385518,0.48694717
6369,C19 H27 N5 O4,Alfuzosin,406.2333,13.841007,2.050439986,1.806285327,2.234325902,2.008928506,2.087797919,1.917123846,2.09566813,1.881720035,1.752418928,2.035973988,1.842258044,1.94034016,1.80769111,1.929449211
6370,C29 H46 N13,C29 H46 N13,574.3803,15.097965,1.036118399,1.046778125,0.999786951,1.239571941,0.845065507,0.994551618,0.967159744,-0.671607133,-0.732019904,-0.599535758,-0.732898485,-0.599805016,-0.583429752,-0.728458339
6371,C16 H13 N3 O4,Icilin,310.0839,5.3830066,0.050968263,0.259860206,0.217704292,0.191512825,0.190735902,0.140255788,0.006513087,0.124130591,0.317299543,-0.106316581,0.229460747,-0.039723975,0.222250179,0.060869277
6372,C21 H34 O,3beta-Hydroxypregn-5-ene Esi+9.517004,319.2862,9.517004,0.213383726,0.373901855,0.063581008,0.305298639,0.030841548,0.286582894,0.148352005,-0.049482973,-0.103610659,0.015090406,-0.059960369,-0.042952261,-0.026457948,-0.064328055
6373,C29 H64 N21 O2 P,C29 H64 N21 O2 P,769.529,12.76398,0.348924004,0.503723989,0.090405707,0.516340518,0.087153335,0.520920576,0.140434561,-0.148658932,-0.222349057,-0.060747906,-0.201327312,-0.097013842,-0.26855944,-0.071354657
6374,C17 H27 N O4,Metipranolol Esi+11.248019,309.1942,11.248019,1.541750703,1.465718162,1.548783282,1.47217948,1.705085738,1.437679866,1.567420707,1.077399998,1.035870509,1.12694395,1.003520891,1.214219578,1.105093537,1.059544953
6375,C16 H29 N O5,Butoctamide hydrogen succinate Esi+4.1309934,315.2032,4.1309934,1.567598847,1.584036117,1.737285824,1.446949684,1.884167252,1.638946334,1.617007827,1.889358509,1.717534708,2.09434129,1.80521508,2.046447482,1.894312328,1.8861646
6376,C11 H18 N2 O2,"L,L-Cyclo(leucylprolyl) Esi+5.176013",210.1353,5.176013,0.372101364,0.456507499,0.082858213,0.325390933,0.251141143,0.198654926,0.356551346,-0.445454008,-0.450405261,-0.439547249,-0.328034088,-0.582609488,-0.23024093,-0.584209808
6377,C15 H19 N3 O6,Gly Phe Asp,336.1182,6.6400123,0.645829006,0.450494669,0.899359404,0.503271664,0.892746225,0.300541614,0.809959259,-0.312124759,-0.215439129,-0.427469018,-0.18405891,-0.498608394,-0.126190477,-0.43200344
6378,C12 H14 O4,"2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one Esi+6.053989",222.0866,6.053989,0.601551062,0.738198141,0.250337201,0.643391143,0.450375967,0.587673312,0.556043695,-0.384144809,-0.527570606,-0.213040349,-0.376238326,-0.381193182,-0.395787749,-0.376638176
6379,C20 H34 N20 P,C20 H34 N20 P,583.3044,12.569979,1.909105254,1.874133882,1.709285694,1.849338123,1.745824989,1.777650858,1.836350038,-2.877689212,-3.005251243,-2.725509947,-2.906888957,-2.814507931,-2.910598865,-2.856471146
6380,C35 H52 O6,33-Deoxy-33-hydroperoxyfurohyperforin,585.4065,10.381996,0.467545161,0.359612732,0.518284105,0.446717854,0.450385106,0.252099856,0.537021213,-0.30944009,-0.181273344,-0.462340769,-0.254053232,-0.414015441,-0.148956998,-0.412909452
6381,C11 H21 N O3,Ethyl 3-(N-butylacetamido)propionate Esi+6.100992,215.1522,6.100992,0.135463168,0.178707141,0.09477663,0.208597405,0.131554833,0.03123152,0.231799952,-0.046481142,-0.05012086,-0.042139021,-0.002651916,-0.117841675,0.088857662,-0.133739055
6382,C32 H58 O6,C32 H58 O6 Esi+14.743961,538.4228,14.743961,1.370165533,1.497963554,1.181815532,1.472686181,1.247201605,1.502466589,1.243825013,-0.933775979,-1.120313496,-0.711239993,-0.918393293,-0.964770969,-0.961140291,-0.916133199
6383,C26 H4 N O17 P,C26 H4 N O17 P Esi+12.819018,632.9202,12.819018,1.019217716,0.9067083,1.131622273,1.155092729,0.765935394,1.0760073,0.988120229,0.57585689,0.53059611,0.629852206,0.682604409,0.412799835,0.62516201,0.544068062
6384,C33 H58 N10 O,C33 H58 N10 O,610.4877,15.292982,0.862830839,0.827921653,0.884115006,0.687279949,0.916349955,0.714707579,0.877663476,-0.551617704,-0.557365987,-0.544760104,-0.480444861,-0.630307581,-0.54228259,-0.557636396
6385,C7 H5 N O2,2-Benzoxazolol Esi+0.86500174,135.0316,0.86500174,0.366243235,0.225247151,0.608323691,0.162374103,0.586661505,0.056414074,0.583268878,0.19476277,0.162347449,0.233433681,0.160999638,0.251289575,0.087799248,0.263726094
6386,C27 H51 O12 P,PI(18:1(9Z)/0:0) Esi+12.493005,598.3116,12.493005,2.222688956,2.184916432,2.220736006,2.220042395,2.286876844,2.223081246,2.270374136,2.595014163,2.58655797,2.605102253,2.664148609,2.499286025,2.648356837,2.560622176
6387,C21 H30 O9,"11,13-Dihydrotaraxinic acid glucosyl ester Esi+8.386987",426.1865,8.386987,0.75559783,0.781820794,0.615539025,0.844094306,0.57134116,0.702867585,0.767784803,0.563502385,0.576105914,0.548466596,0.604504414,0.508402034,0.547553581,0.573785166
6388,C40 H58 O4,Oryzanol A,602.4373,15.486024,0.808684147,0.732605895,0.901306714,0.867949955,0.795193188,0.792141818,0.868461189,0.577646954,0.550854147,0.609610303,0.593010546,0.54232433,0.566899061,0.584576517
6389,C22 H4 N2 O21,C22 H4 N2 O21 Esi+14.06299,631.9302,14.06299,1.75379231,1.881077836,1.78097703,1.828259016,1.834611514,1.943162444,1.780479346,1.002441247,1.044925761,0.951757966,1.014636688,0.989332791,1.062584523,0.963664661
6390,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.221974,488.3474,15.221974,0.959775818,1.15701467,0.572273512,0.938932213,0.937880728,0.99921576,0.872331737,-0.599882279,-0.803570823,-0.35688542,-0.495980067,-0.759766275,-0.525902744,-0.647579611
6391,C12 H16 O4,"3',4',5'-Trimethoxycinnamyl alcohol Esi+5.7769876",224.105,5.7769876,0.31107211,0.172955666,0.463576558,0.100928091,0.460478669,0.197584856,0.37866251,0.263680325,0.141581465,0.409342123,0.180228977,0.383507094,0.20226396,0.303277718
6392,C35 H58 O7,Melilotoside A Esi+14.163029,590.4132,14.163029,0.468486144,0.617167606,0.075722623,0.635082139,0.086329263,0.451268284,0.407398976,-0.183687832,-0.283233518,-0.064931575,-0.213554429,-0.107025846,-0.179054806,-0.186674915
6393,C43 H77 N O8 P,"PC(17:2(9Z,12Z)/18:3(6Z,9Z,12Z))",783.5676,15.264959,1.352898376,1.630089795,0.858963753,1.33320039,1.297324319,1.561306627,1.177297936,-0.611211173,-0.800177246,-0.385777965,-0.636133664,-0.57724679,-0.672379818,-0.571773495
6394,C15 H30 O5,Glycerol 1-(5-hydroxydodecanoate),290.2088,8.805021,0.191942065,0.372066851,0.113604728,0.256270325,0.021126579,0.156530644,0.14933353,-0.146931232,-0.301932333,0.037982362,-0.236355544,-0.036152322,-0.167472609,-0.133687449
6395,C46 H80 N2 O13,Tilmicosin Esi+12.470966 :1,868.5727,12.470966,0.975070512,0.930874846,1.090400145,0.965665915,0.91226086,1.076869071,0.955982407,0.612913904,0.629930264,0.592613686,0.655539963,0.523653941,0.733153633,0.535390921
6396,C33 H38 N6,Hodgkinsine Esi+6.094981,517.3091,6.094981,0.950028973,0.745868416,1.161828461,0.847073615,1.089895746,0.584523729,1.196167992,-0.566736207,-0.40538059,-0.759230628,-0.461991583,-0.723164568,-0.320964066,-0.725194562
6397,C32 H7 N O15 P,C32 H7 N O15 P Esi+13.88402,675.9568,13.88402,1.874146845,1.866508974,1.980092876,1.899932159,1.93440585,2.004988988,1.874654433,1.01622632,1.04237069,0.985036546,1.024698627,0.988919103,1.073615698,0.979225274
6398,C30 H66 N26 P,C30 H66 N26 P,821.5687,9.654027,0.412441469,0.327969722,0.456632031,0.515650132,0.205129013,0.226163281,0.390845895,-0.197104238,-0.149801382,-0.253535715,-0.179972216,-0.238781153,-0.065663351,-0.281849021
6399,C6 H8 O4,Ethyl hydrogen fumarate,144.0419,0.845001,0.765749186,1.01323564,0.466198005,0.996778398,0.465412999,0.988334104,0.623694323,0.276546765,0.367670191,0.167838117,0.344246757,0.181949295,0.34463933,0.23264498
6400,C27 H47 N15 P,C27 H47 N15 P,612.4146,14.781005,0.762617372,0.843126035,0.64065932,0.897684082,0.568233607,0.84187361,0.667272905,-0.559178221,-0.736181434,-0.348016493,-0.632886306,-0.450639031,-0.641279456,-0.50624453
6401,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.237043",522.4244,16.237043,1.215183391,1.381221852,0.823556279,1.348470869,1.03326045,0.852006246,1.330015039,-0.851176491,-1.035321511,-0.631494712,-0.848117833,-0.868328815,-0.638158968,-0.988516736
6402,C27 H48 O5,"5beta-Cholestane-3alpha,7alpha,12alpha,23,26-pentol",452.344,14.114991,0.137882155,0.19620291,0.055623801,0.150530891,0.040334907,0.112453538,0.13130034,-0.015065597,-0.075408459,0.056922379,-0.038198413,0.014362668,0.013349014,-0.033385544
6403,C36 H66 O12,Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside,690.4525,14.27498,1.278176418,1.204935999,1.486783315,1.472306019,1.159343547,1.300068329,1.320717378,0.922805906,0.833232065,1.029665926,1.000030556,0.805028334,0.939034339,0.912342837
6404,C35 H69 O3 P S,C35 H69 O3 P S,600.4646,14.659968,0.388824501,0.322347048,0.506249246,0.36342188,0.390914849,0.35729099,0.434302945,0.360627311,0.298372887,0.434895746,0.378102065,0.317658182,0.321967654,0.385552616
6405,C30 H38 O5,"3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone",500.2533,12.144026,1.106992425,0.958539815,1.303237738,1.310112056,0.843991482,1.158334792,1.078400939,0.910826113,0.78751646,1.057932365,1.019274134,0.776390473,0.887270321,0.926013399
6406,C25 H29 N13 O20 P S,C25 H29 N13 O20 P S Esi+13.170971,894.1113,13.170971,0.519982204,0.578408507,0.210461634,0.542775857,0.249078798,0.384784714,0.455316323,-0.165929846,-0.244238519,-0.072508974,-0.154832394,-0.199958324,-0.120469415,-0.195239861
6407,C43 H76 N O7 P,"PE(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",749.5371,11.339024,0.239331263,0.157389439,0.349857355,0.145365461,0.323100871,0.382332101,0.169187358,0.147422797,0.134144928,0.163263062,0.147713051,0.117356647,0.253484563,0.079040869
6408,C42 H70 O15,Goyaglycoside h Esi+11.129972,836.4531,11.129972,1.250239845,0.982198576,1.622371897,1.173451758,1.369100085,1.086511318,1.433833122,0.643657316,0.531480336,0.777482486,0.664504909,0.61020204,0.605285314,0.66839716
6409,C30 H48 O5,21beta-Hydroxyhederagenin Esi+13.760988 :1,505.373,13.760988,0.300735237,0.382027469,0.01117546,0.398931186,0.099011975,0.19471084,0.215116877,-0.074490454,-0.109999539,-0.032128739,-0.055227028,-0.11222111,-0.007244555,-0.117846363
6410,C6 H4 N3 O6,C6 H4 N3 O6,214.0086,0.839001,0.90994697,0.832979115,0.955303885,0.793306339,0.96713879,0.745865559,1.00463563,0.913816657,0.81646942,1.029950203,0.821514984,1.008361884,0.743529133,1.023607297
6411,C24 H40 O6,"3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid Esi+10.968995",424.285,10.968995,0.072731585,0.251753772,0.122933648,0.065482605,0.188784637,0.017500287,0.057265419,0.052379843,-0.041152199,0.163961928,0.165800386,-0.118372921,0.140902353,-0.004693881
6412,C11 H18 N5 O13 P3,5'-Guanylylmethylenebisphosphonate Esi+13.082017,538.0421,13.082017,0.140246553,0.103213868,0.270025171,0.140237477,0.164451556,0.218668325,0.173622762,0.130082902,0.12648088,0.134380051,0.167290457,0.065710789,0.174346278,0.101544673
6413,C28 H47 N O4 S,Tiamulin,492.3218,10.869013,1.88233495,1.777729845,1.900031356,1.877443251,1.777390895,1.929910486,1.810431314,3.071747263,2.977170735,3.184575402,3.139651543,2.945388539,3.228827487,2.970471855
6414,C41 H71 O8 P,"PA(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+7.673981",721.4816,7.673981,0.395957366,0.235603967,0.645978477,0.484271964,0.30924812,0.149120386,0.51058134,-0.20489774,-0.09634458,-0.334399756,-0.197731267,-0.236137125,-0.052371525,-0.30323701
6415,C8 H26 Cl N9 O,C8 H26 Cl N9 O,299.1937,3.60999,0.870622707,0.814528111,0.977514807,0.660199955,1.165975254,0.605816885,1.044832686,0.707453335,0.687852197,0.730837148,0.709151466,0.726772254,0.617819457,0.765243598
6416,C23 H49 N16 O4,C23 H49 N16 O4,613.4132,12.141018,0.123971816,0.079511012,0.195321316,0.120606184,0.338179871,0.306849845,0.036871325,0.373295124,0.260412693,0.507961884,0.116171277,0.689588888,0.67390879,0.179478418
6417,C26 H45 N23 O4 P,C26 H45 N23 O4 P,774.3753,13.725026,0.00588411,0.225205112,0.334394049,0.090380092,0.158027338,0.183502481,0.179101653,0.059323954,-0.046413057,0.185466354,0.033387168,0.091373049,-0.029537279,0.116616065
6418,C11 H21 Cl N2 O18 P,C11 H21 Cl N2 O18 P,535.022,12.717026,1.70565128,1.607556095,1.961738922,1.717295755,1.864793236,1.643344637,1.86463297,0.849402761,0.82383391,0.879905952,0.854589553,0.860381753,0.810317428,0.874602515
6419,C16 H Cl N O15 P S4,C16 H Cl N O15 P S4,640.7687,12.020997,0.280588325,0.234153797,0.217397261,0.241127737,0.201024022,0.103874533,0.273338866,-0.099303651,-0.053502304,-0.153943855,-0.050910549,-0.181542461,0.014773665,-0.1728535
6420,C28 H47 N9 P,C28 H47 N9 P,540.3673,15.189959,0.058073267,0.257602685,0.375099868,0.111169471,0.098421057,0.008294505,0.010559098,0.037209348,-0.197215927,0.316874589,-0.02559963,0.112120557,-0.008548195,0.066710922
6421,C12 H22 N6 O6,Gly Asp Arg Esi+5.2800174,346.1593,5.2800174,1.099320116,0.713713994,1.557674133,1.053092575,1.278820215,0.998072651,1.205098337,-0.868226646,-0.496501932,-1.311687708,-0.658253641,-1.180328346,-0.645611647,-1.011754737
6422,C26 H50 N6 O7 S,C26 H50 N6 O7 S,589.3409,12.88103,2.273932685,2.184296247,2.39922755,2.27296958,2.340134423,2.048123602,2.466106025,2.723753043,2.645996312,2.816515459,2.677969587,2.771935941,2.501213968,2.867232184
6423,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3) Esi+14.97602",502.3958,14.97602,1.456007127,1.594318818,1.190205705,1.342424314,1.504224306,1.551216681,1.342191625,-1.414810384,-1.780559665,-0.978477909,-1.284424797,-1.612431633,-1.530543661,-1.340192877
6424,C16 H30 N6 O4,Val Arg Pro,370.2348,10.374018,0.218502179,0.337869724,0.03395892,0.050053571,0.281651053,0.218503333,0.446984033,-0.027856989,-0.091806715,0.048433911,0.057838229,-0.143000372,0.20068336,-0.175205372
6425,C48 H94 N O10 P,PS(20:0/22:0),875.6518,15.951965,0.479953905,0.444769378,0.396930859,0.407369005,0.492115369,0.387727455,0.502279125,-0.161487849,-0.171435684,-0.149620257,-0.124353834,-0.220601145,-0.133874375,-0.179291273
6426,C27 H42 N4 O4,Hovenine A Esi+12.992995 :1,508.3012,12.992995,1.845890905,1.624686255,1.994236045,1.558744857,2.074356838,1.696265404,1.906386221,2.326487813,2.107405598,2.587849052,2.071048792,2.677706864,2.163179787,2.431778514
6427,<none>,<none> Esi+12.490983,880.0957,12.490983,0.070313179,0.118497907,0.093897821,0.033343299,0.044619618,0.043223676,0.075177636,0.048697611,0.021180347,0.081525224,0.090472049,-0.036521009,0.107230542,0.010959273
6428,C48 H56 N2 O4,Bismurrayafoline E,724.4215,8.75,0.173006209,0.374181983,0.169082596,0.276973407,0.073856065,0.440383816,0.031487733,0.044394431,0.210308152,-0.153537728,0.130744783,-0.099281825,0.24559933,-0.085329781
6429,C35 H72 N4 O7 S2,C35 H72 N4 O7 S2,722.4317,13.751971,0.010873432,0.205247748,0.329812144,0.071707752,0.088787239,0.058087706,0.06886049,-0.010710975,-0.104300728,0.100939958,-0.020144928,-0.004206867,-0.054947927,0.017810218
6430,C22 H47 N O,C22 H47 N O,341.3651,11.708986,0.312875675,0.55789775,0.103327059,0.302494122,0.224283682,0.390599719,0.22657806,-0.088205675,-0.192851946,0.03663549,-0.073502943,-0.106954817,-0.097285688,-0.082351456
6431,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+12.258029",378.2016,12.258029,0.673266953,0.751066694,0.465388595,0.582365806,0.711249926,0.511211324,0.717274368,-0.465547513,-0.56429145,-0.347747728,-0.342869067,-0.613497006,-0.407997944,-0.50265184
6432,C7 H15 N O2 S,Dihomomethionine,177.082,3.0739987,0.633503552,0.696632932,0.471492668,0.674295873,0.481081541,0.525369748,0.601157796,0.463274216,0.557557308,0.350796141,0.556578849,0.352374983,0.474539335,0.456011178
6433,C30 H46 O,Theonellasterol B Esi+11.736015,422.35,11.736015,1.113644438,1.180518541,0.761189927,0.988907146,1.161502033,1.047286025,1.134136797,-0.540756323,-0.659728992,-0.398824016,-0.510036941,-0.602217148,-0.5328634,-0.545845181
6434,C14 H38 N11 O8,C14 H38 N11 O8,488.2949,11.123025,0.08976301,0.256923894,0.673496626,0.058532221,0.207902451,0.009798647,0.23803678,0.065670883,-0.136040764,0.306309339,0.02470652,0.123432048,-0.045855837,0.137576268
6435,C28 H59 N7 O4 P,C28 H59 N7 O4 P,586.4203,15.083007,1.466936599,1.526187204,1.431084672,1.462450916,1.505555255,1.475688335,1.437494458,-0.886896632,-1.024427172,-0.722825111,-0.80631841,-1.017902856,-0.874957752,-0.894594068
6436,C29 H46 O4,"2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone Esi+15.121028",458.3381,15.121028,0.218248272,0.264655488,0.043358502,0.033046131,0.370553649,0.162243795,0.133718001,-0.090746973,-0.11451949,-0.062386778,-0.020780025,-0.206260644,-0.090484488,-0.090916207
6437,C27 H40 O6,Lucidenic acid N Esi+11.739991,460.2829,11.739991,1.729570651,1.777590364,1.626098193,1.695353489,1.725290797,1.475462307,1.855921051,1.405617325,1.571785584,1.207381506,1.395337322,1.389888783,1.294888704,1.477008145
6438,C24 H51 N O7 P,PC(16:0/0:0)[rac] Esi+11.10701,493.3169,11.10701,1.358495842,1.266188835,1.304473607,1.36965883,1.194325042,1.385653877,1.264997098,1.12659485,1.121556254,1.132605807,1.175724306,1.043919111,1.240601581,1.053090511
6439,C43 H74 N6 O11,C43 H74 N6 O11,850.5426,14.898979,0.69193934,0.70088594,0.532002564,0.750333819,0.515490565,0.629586724,0.613295423,-0.521841068,-0.661159892,-0.355636155,-0.5408316,-0.525762328,-0.551863548,-0.502484469
6440,C14 H16 O5,1'-Acetoxyeugenol acetate Esi+9.928976,264.0969,9.928976,0.177688018,0.021304528,0.483331092,0.205303297,0.22930268,0.176735313,0.218584718,0.083332401,0.005688562,0.175960139,0.066379726,0.099184037,0.096097032,0.075102574
6441,C12 H22 N7,C12 H22 N7 Esi+7.6719975,264.1932,7.6719975,0.513646954,0.351404304,0.684619961,0.39051489,0.660374318,0.369330605,0.588241039,-0.332374623,-0.234447203,-0.449200317,-0.23268743,-0.493118389,-0.197974762,-0.419027165
6442,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+16.082027",565.4696,16.082027,0.555294014,0.381500618,1.00759071,0.54985372,0.657629315,0.675439305,0.553561841,0.533197423,0.383873078,0.711338748,0.539304582,0.515952605,0.557170616,0.517741023
6443,C26 H40 N7 O19 P3 S,Mesaconyl-CoA Esi+13.479984,901.1187,13.479984,0.302793626,0.369082455,0.026069662,0.34514718,0.01874008,0.160205336,0.264262476,-0.061177345,-0.119297078,0.008158476,-0.063939436,-0.07500876,-0.012746057,-0.092402782
6444,C28 H20 O14,Epitheaflavic acid 3'-gallate,602.0742,11.313983,0.69679721,0.665434851,0.717317178,0.870741472,0.521722878,0.590469642,0.73947394,-0.325597714,-0.313338939,-0.340222217,-0.336239568,-0.32720841,-0.223602855,-0.391357557
6445,C11 H22 N2 O8,Mannopine Esi+7.5939946,310.1394,7.5939946,0.886302477,0.803300405,0.993213287,0.881860742,0.851832496,0.987105988,0.833022622,-0.351951374,-0.347736721,-0.356979381,-0.357008731,-0.335694235,-0.441834664,-0.294000305
6446,C39 H58 N4 O5,3-hexanoyl-NBD Cholesterol,684.429,15.657972,0.334348361,0.592583946,0.07714091,0.293100554,0.396323359,0.445567929,0.315192014,-0.06584613,-0.167402913,0.05530933,-0.052902218,-0.092420992,-0.092404517,-0.04872296
6447,C21 H49 N15 O3,C21 H49 N15 O3,559.4164,10.894024,0.017407051,0.031958318,0.161631708,0.030954099,0.131335913,0.182063504,0.007765333,0.023434281,0.019174441,0.028516196,0.025894964,-0.008046694,0.120788421,-0.039333519
6448,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+16.362041",404.3648,16.362041,1.656890724,1.666637978,1.502302578,1.654289501,1.524509289,1.647198844,1.539678673,-1.210618799,-1.342921687,-1.052783774,-1.268581944,-1.133688498,-1.237862531,-1.193053761
6449,C33 H71 Cl2 N6 O4 P S,C33 H71 Cl2 N6 O4 P S,748.4377,13.988023,0.523765139,0.433305703,0.654750418,0.189881732,0.782216358,0.399495372,0.594756467,0.346620633,0.322677857,0.375183945,0.268560568,0.44311305,0.33323554,0.355250496
6450,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+10.352027,482.2495,10.352027,1.506497289,1.398222346,1.603520575,1.440319581,1.530856463,1.492864864,1.516641144,2.130685144,2.045379773,2.232452954,2.152465147,2.064174357,2.162111019,2.110423724
6451,C22 H27 F3 O4 S,Fluticasone,466.1397,9.883031,0.039948768,0.007788446,0.218398196,0.242395182,0.074285113,0.026077705,0.125499432,0.031800171,0.019378994,0.046618418,0.052565365,-0.01584105,-0.016784422,0.063124448
6452,C28 H61 N26 P,C28 H61 N26 P,792.5306,10.678979,0.771711839,0.574112159,0.844445002,0.859682526,0.602348812,0.607506137,0.744933423,-0.718131991,-0.518393283,-0.956416766,-0.774440756,-0.66976056,-0.497418966,-0.86043381
6453,C34 H67 N2 O6 P,"PE-Cer(d16:2(4E,6E)/16:0) Esi+13.391029",629.4662,13.391029,0.210741595,0.415991874,0.12050101,0.257272925,0.103506163,0.376005706,0.082382005,-0.049576251,-0.210925738,0.142910856,-0.079881428,-0.008485269,-0.159877511,0.021539035
6454,C32 H48 O3,"(22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferol Esi+13.468995",480.3573,13.468995,0.619213876,0.288767888,0.980775879,0.668768852,0.573097663,0.324208885,0.728145656,0.346101728,0.160317967,0.567738496,0.336344676,0.363001365,0.217182828,0.429220493
6455,C28 H27 N6 O10 S2,Cefpimizole,670.1191,12.586984,0.239547567,0.346241894,0.071108226,0.171943582,0.180320012,0.080549016,0.217639999,-0.044323232,-0.190018527,0.129488698,-0.006760888,-0.123844252,0.007218535,-0.077554109
6456,C26 H51 N8 O4 P,C26 H51 N8 O4 P Esi+13.164004,567.3824,13.164004,1.831209983,1.662122787,1.889996091,1.78831039,1.779547624,1.665133731,1.887505541,2.658613207,2.433620659,2.927025371,2.660492321,2.64106342,2.503662616,2.758515563
6457,C25 H43 N O6,10-Deoxymethymycin Esi+10.159995,470.3318,10.159995,1.045743522,1.067299922,1.042129979,1.354026114,0.755239239,1.051486036,0.98505234,-0.712042581,-0.74549275,-0.672137117,-0.737933241,-0.695557884,-0.61737417,-0.773078794
6458,C23 H32 O4 S,7?-(Thiomethyl)spironolactone sulfoxide Esi+6.043986,404.2033,6.043986,0.854024727,0.450835814,1.237392313,0.748155499,1.054795493,0.502939878,1.040888324,-0.579760773,-0.288568613,-0.927147911,-0.468445788,-0.763189899,-0.319334145,-0.747667415
6459,C42 H34 O25,"3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone Esi+13.048024",938.137,13.048024,0.106563517,0.183428103,0.133069968,0.111021278,0.069910918,0.006357049,0.100787633,0.022055907,-0.024183848,0.077219124,0.030788165,-0.009954299,0.06297711,-0.0043275
6460,C28 H57 N P S3,C28 H57 N P S3,534.3387,9.599017,0.117582454,0.063331045,0.121933208,0.303478621,0.094431576,0.071241922,0.206093902,-0.137252944,-0.012679639,-0.285866713,-0.220398135,-0.059259922,0.128800144,-0.308787173
6461,C11 H26 O15 P S3,C11 H26 O15 P S3 Esi+13.128978,525.0187,13.128978,1.872901426,1.858421613,1.980573072,1.908327565,1.937340574,1.89384384,1.942490572,0.92789135,0.929500337,0.925971856,0.937809848,0.898438883,0.900275077,0.945696578
6462,C10 H2 Cl2 N2 O11 P S5,C10 H2 Cl2 N2 O11 P S5 Esi+13.229003,586.74,13.229003,0.046334908,0.055302929,0.381221624,0.007033913,0.309738467,0.107800724,0.131835853,0.065795203,0.018784026,0.121878713,0.053532223,0.070126231,0.069926667,0.063131496
6463,C26 H42 O5,"3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid",434.3035,9.114012,0.929944452,0.913231851,0.975421446,1.128838454,0.667691397,1.20373579,0.754096706,-0.887552046,-0.833160527,-0.952440173,-1.075546844,-0.645906004,-0.9888654,-0.822231594
6464,C27 H44 N6 O6,C27 H44 N6 O6 Esi+14.948978,548.3326,14.948978,0.349674788,0.199302401,0.437908332,0.33865465,0.2999502,0.312315619,0.344059866,0.282910767,0.136550666,0.457515801,0.244630054,0.344427683,0.181173546,0.348504502
6465,C17 H45 N18 O P,C17 H45 N18 O P Esi+12.784976,548.3778,12.784976,0.591144846,0.600597911,0.540325218,0.600104764,0.541344056,0.675231914,0.549109955,0.519194606,0.559988792,0.470527859,0.588739607,0.429771488,0.629683901,0.447958088
6466,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.048027",278.2242,16.048027,0.841923246,0.885433164,0.579689704,0.76217364,0.718045597,0.771144479,0.727058715,-0.97585796,-1.212368764,-0.69370472,-0.966639437,-0.998890861,-1.10021196,-0.895682354
6467,C37 H61 N2 O2 P S,C37 H61 N2 O2 P S,628.4238,14.56004,0.120759453,0.004150774,0.3398405,0.167550376,0.092883311,0.091460779,0.181774067,0.06719249,0.023661927,0.119123688,0.118265354,-0.026306088,0.06178697,0.070677628
6468,C40 H49 N5 O6,Jubanine A,694.3495,14.362042,1.873874923,2.025381202,1.785921367,2.110203172,1.842118285,2.209674849,1.811404788,-0.849520014,-0.999001614,-0.671191087,-0.836577066,-0.861521848,-0.908733054,-0.811343185
6469,C19 H19 N3 O11 S2,Hydroxytenoxicam glucuronide Esi+13.488023 :1,528.0384,13.488023,0.346338199,0.173511008,0.690208503,0.263676822,0.533813822,0.419674106,0.37161022,0.159087333,0.112333015,0.214864414,0.147448818,0.163659902,0.18911813,0.139725372
6470,C22 H30 N9 O10 P2 S,Adenosine thiamine diphosphate,674.1318,13.845965,0.067968394,0.037659144,0.096932635,0.060113874,0.076659121,0.054898343,0.083770174,0.012685853,0.039734228,-0.019582384,0.0244409,-0.024781279,0.0559633,-0.015216711
6471,C8 H10 O2,2-Phenoxyethanol Esi+4.77699,138.0684,4.77699,0.501524959,0.445917727,0.39009301,0.256309405,0.556762203,0.709345609,0.312459145,0.447193872,0.469558386,0.420513399,0.424106469,0.458353772,0.760417121,0.245247304
6472,C10 H22 O4,C10 H22 O4 Esi+5.88099,206.155,5.88099,0.189369964,0.369957424,0.023636182,0.467120055,0.096116527,0.30607989,0.112465428,0.104104763,0.177657455,0.016357693,0.232495039,-0.072071314,0.197111631,0.04413981
6473,C34 H5 N5 O13 P,C34 H5 N5 O13 P,721.9616,10.347003,0.517215712,0.693968022,0.391657901,0.451224836,0.571702587,0.757134131,0.434589744,0.300366851,0.396882814,0.185225001,0.299091487,0.279275756,0.445431313,0.206838449
6474,C24 H54 Cl N15 P,C24 H54 Cl N15 P,618.4119,13.249019,0.090098237,0.001397576,0.269123508,0.214988248,0.011296402,0.231321447,0.029450885,-0.041525645,0.135901016,-0.253192539,-0.185695528,0.125514827,-0.19168884,0.055290099
6475,C33 H6 N3 O13 P,C33 H6 N3 O13 P Esi+14.2419615,682.9642,14.2419615,1.304245873,1.26099115,1.311259443,1.236199346,1.28735286,1.5328807,1.130558003,0.78162162,0.792872113,0.76819998,0.755115076,0.806815141,0.933077475,0.683972451
6476,C19 H40 O4,C19 H40 O4 Esi+14.110038,332.2921,14.110038,1.175017783,1.242176053,1.013209665,1.031555595,1.26688583,1.186358694,1.118215407,-1.176807685,-1.311729822,-1.015847942,-1.122327339,-1.211472437,-1.195709134,-1.164621223
6477,C34 H52 O10,Physagulin D Esi+14.568046,620.3576,14.568046,0.437256678,0.348948978,0.493683186,0.473850735,0.322781872,0.626877355,0.316474231,0.335069133,0.318318856,0.355051919,0.391777093,0.246499731,0.484690523,0.23860271
6478,C48 H74 N6 O4 S,C48 H74 N6 O4 S,830.5498,14.113023,0.916957348,1.129952329,0.527769053,1.065174495,0.751068976,0.913519587,0.886379151,-0.591716418,-0.814588093,-0.325834421,-0.613727361,-0.568656752,-0.583881375,-0.59676796
6479,C50 H78 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) Esi+9.1830015",900.5621,9.1830015,0.402952595,0.610859546,0.123458649,0.413742097,0.265683965,0.752543118,0.189883782,0.194608844,0.318622263,0.04666301,0.26184429,0.076564864,0.404067616,0.059563056
6480,C15 H30 O5,Glycerol 1-(5-hydroxydodecanoate) Esi+9.288979,289.1966,9.288979,0.005053734,0.109238974,0.130540061,0.088586827,0.058241066,0.023839552,0.057886258,0.097492697,0.022494721,0.186963968,0.086449436,0.096481653,0.086294162,0.104712806
6481,C21 H34 O8,"methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate Esi+8.901985",414.2242,8.901985,0.250820888,0.278711004,0.091761524,0.336469877,0.002934527,0.58107957,0.041440284,0.156571226,0.205591474,0.098090929,0.297847712,-0.051967287,0.424653665,-0.0162714
6482,C23 H51 N O P S,C23 H51 N O P S,420.3423,14.393014,1.041798848,0.955401891,1.092029145,1.020878803,1.063868895,0.938119032,1.085746325,0.68626953,0.683711995,0.689320624,0.700182205,0.644528562,0.656457243,0.705490609
6483,C23 H37 N O5,Norerythrostachaldine,407.273,11.25301,0.650181908,1.077206606,0.059968966,0.797610241,0.367867579,0.818161072,0.50647206,0.62446914,1.070703415,0.092119478,0.801588407,0.33871168,0.850363326,0.478826835
6484,C28 H44 N4 O,C28 H44 N4 O,452.3516,14.867974,1.633517724,1.7526796,1.430773453,1.616199944,1.559896541,1.66189455,1.558708385,-1.359393264,-1.563835126,-1.115497708,-1.395071066,-1.307779389,-1.412050904,-1.325442943
6485,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.018011,466.3645,14.018011,0.943455898,1.011872849,0.616243968,0.87347519,0.915166988,0.941899273,0.810401381,-0.526572631,-0.671688661,-0.353451753,-0.473594684,-0.602273391,-0.565549154,-0.50144303
6486,C29 H22 O14,"3,5-Digalloylepicatechin Esi+13.104984",616.09,13.104984,0.207103455,0.257360564,0.039939309,0.223867181,0.0418521,0.12721964,0.163313563,-0.013813253,-0.053452514,0.03347569,-0.018923075,-0.019384595,-0.003660862,-0.020358874
6487,C38 H75 O12 P,PI(O-16:0/13:0),754.4984,14.108981,1.046509137,1.182603114,0.803066337,1.091015827,0.933166331,1.081242741,1.011171529,-0.931379644,-1.157119191,-0.662076324,-0.9808215,-0.839784519,-0.970406951,-0.906217301
6488,C30 H42 D5 N3 O9 S,Leukotriene C4-d5,630.3358,15.193043,1.745972263,1.769768804,1.71297048,1.829454544,1.642200497,1.892147692,1.664079419,1.405415567,1.493507865,1.300323001,1.479401805,1.297317857,1.516379794,1.333872842
6489,C8 H10 N4 O4,5-Acetylamino-6-formylamino-3-methyluracil Esi+3.7919953,226.0731,3.7919953,0.204498565,0.237955471,0.228796921,0.323041951,0.258806224,0.256458949,0.19809457,0.20635669,0.193077212,0.222198875,0.264057828,0.256164979,0.203593292,0.208138355
6490,<none>,<none> Esi+13.610035 :1,576.736,13.610035,0.360510678,0.214384107,0.701435112,0.345212402,0.497711909,0.486038743,0.364702142,0.186317106,0.147379852,0.232768565,0.18795445,0.170275721,0.231420502,0.157237284
6491,C8 H12 O3,"2,5-Dimethyl-4-ethoxy-3(2H)-furanone Esi+6.4279866",156.0784,6.4279866,1.663878596,1.712069369,1.458930677,1.681134321,1.551395688,1.770074666,1.560669767,0.993456956,1.042270301,0.935223492,1.009327541,0.947616657,1.101406432,0.923857952
6492,C41 H63 N5 O2,C41 H63 N5 O2,657.5017,14.237043,0.793555097,0.679625699,0.873462241,0.75334832,0.920642783,0.512780007,0.997870705,0.530506991,0.430598078,0.649696572,0.469024379,0.603664362,0.32625931,0.662192996
6493,C12 H2 O21 P,C12 H2 O21 P,512.881,14.17897,0.530350703,0.603126672,0.335163091,0.725678693,0.22159467,0.563697043,0.434018601,-0.264262772,-0.299417003,-0.22232439,-0.313317065,-0.208554369,-0.251885391,-0.272242925
6494,C44 H85 N O13,LacCer(d14:0/18:0) Esi+11.840012,857.5784,11.840012,0.171390794,0.108865405,0.223783961,0.306815305,0.031144553,0.002182369,0.251383854,-0.040108319,0.009214087,-0.098949085,-0.054394857,-0.038904728,0.057083762,-0.102771635
6495,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+13.806958,594.3755,13.806958,1.158374412,1.239164668,0.68093678,1.160028973,0.966837118,1.094540082,1.052294632,-0.491464456,-0.630074856,-0.32610468,-0.485338968,-0.507621294,-0.525986102,-0.469207079
6496,C21 H4 N4 O23,C21 H4 N4 O23,679.9265,12.645997,1.633221168,1.585059623,1.713432423,1.516459886,1.727231465,1.477225331,1.745063072,0.777223461,0.786489799,0.766168882,0.788579509,0.770363797,0.728499222,0.808637773
6497,C27 H40 N4 O4,Ceanothine D Esi+13.391039,501.3372,13.391039,0.532927649,0.654018467,0.322419285,0.381204158,0.55791586,0.402243678,0.61551744,0.498174875,0.620821307,0.351859833,0.526947258,0.425376681,0.437485809,0.537303352
6498,C20 H29 Cl O3,Egregiachloride C,352.1861,6.7619915,0.459913053,0.131801164,0.896715932,0.539162221,0.505027194,0.489808325,0.420379442,-0.155682804,-0.057371675,-0.272966257,-0.121178026,-0.215991673,-0.120113851,-0.178615419
6499,C38 H60 O13,Alliospiroside C Esi+13.054992,724.4006,13.054992,0.747839973,0.589453476,1.067931614,0.852113004,0.684731799,0.832476015,0.731350869,0.806839226,0.644581858,1.000409419,0.912216649,0.633615154,0.826568198,0.79411923
6500,C41 H78 N13 O12,C41 H78 N13 O12 Esi+9.193989,944.5884,9.193989,0.246673157,0.413716716,0.009601141,0.247079628,0.19011473,0.680595334,0.027009752,0.142812034,0.255732496,0.008099904,0.187891054,0.053612735,0.393720203,-0.018957707
6501,C33 H65 N P S2,C33 H65 N P S2,570.4244,14.835999,0.743785314,0.586085655,0.838822394,0.645337626,0.741254613,0.762157223,0.698309001,0.537852243,0.490057021,0.594871104,0.505445054,0.621353254,0.599280641,0.498247091
6502,C18 H21 N3 O4,"N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide Esi+7.9079943",342.1468,7.9079943,1.886390238,1.672312632,2.094387137,1.65076095,2.2596837,1.430460854,2.197836779,3.04806166,2.688615036,3.476875176,2.565610419,3.692858965,2.270515089,3.549374581
6503,C35 H71 N O3,Cer(d18:0/17:0) Esi+14.482021,553.543,14.482021,2.473404062,2.686953474,2.427257937,2.621310647,2.645362248,2.719130994,2.538650752,5.141040496,5.459922294,4.760620106,5.03851101,5.257255566,4.950756956,5.263723305
6504,C31 H52 N7 O4,C31 H52 N7 O4,586.4061,13.995008,0.858400857,0.853381521,0.662982224,0.632545053,1.028705283,0.609011984,0.987074613,-0.422108933,-0.518827877,-0.306724929,-0.321642917,-0.581670327,-0.33403087,-0.478896105
6505,C31 H44 O3,"1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorcholecalciferol Esi+9.626978",463.3239,9.626978,0.902316558,0.798527388,1.011651314,1.125861349,0.627155813,0.870032517,0.850871398,-0.492302492,-0.413762679,-0.585999112,-0.51849235,-0.466986365,-0.405081563,-0.548537039
6506,C40 H69 O8 P,"PA(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+7.255988",707.4658,7.255988,0.178901197,0.013769277,0.459500582,0.240462673,0.200084498,0.085505206,0.365973016,-0.10289414,0.014273186,-0.242672704,-0.080499968,-0.153235481,0.062741018,-0.209685229
6507,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+4.869996",299.1902,4.869996,0.434378382,0.375166453,0.569464346,0.349068296,0.769681413,0.114358392,0.74162902,0.189262448,0.145264645,0.241751056,0.160433872,0.242529684,0.090303499,0.253064929
6508,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+10.548981",328.2229,10.548981,0.496999078,0.376883271,0.600007113,0.203153807,0.784888062,0.444738995,0.534455278,-0.519710316,-0.366930444,-0.701974024,-0.283538572,-0.824210025,-0.486050708,-0.541411906
6509,C39 H71 O10 P,"PG(20:3(8Z,11Z,14Z)/13:0) Esi+10.756009",729.4722,10.756009,0.318361427,0.428592615,0.146522483,0.253300391,0.250480746,0.504607466,0.160919063,0.167664005,0.260877046,0.056462483,0.187092846,0.11674924,0.306817226,0.077946797
6510,C26 H49 N18 O,C26 H49 N18 O,629.4332,10.334983,0.242523939,0.136422862,0.296983692,0.150920982,0.28791085,0.141327487,0.257966281,-0.266039655,-0.186633035,-0.360770359,-0.148653668,-0.455529461,-0.151760515,-0.339719627
6511,C23 H47 N8 P,C23 H47 N8 P Esi+15.073979,466.3731,15.073979,1.142858554,1.140085364,1.178190726,1.083107432,1.216625285,1.124374564,1.142836939,-1.095542065,-1.104048065,-1.085394556,-1.053809025,-1.188460571,-0.989785605,-1.163727151
6512,C36 H54 O12,Medicagenic acid 3-O-b-D-glucuronide Esi+14.166993 :1,678.3596,14.166993,1.131809596,0.9782448,1.36066747,1.167783524,1.158107503,1.096210144,1.145826024,0.95656817,0.847993261,1.086096132,0.920223446,0.998512334,0.869820721,1.012497447
6513,C36 H38,C36 H38,470.2932,8.349,0.013838982,0.135133569,0.113682106,0.188897975,0.244258519,0.116341081,0.080204875,0.02190305,-0.042005553,0.098144893,-0.112912105,0.208537826,-0.040917304,0.062405647
6514,C26 H52 O7,"1-O-alpha-D-glucopyranosyl-1,2-eicosandiol",498.3537,15.260987,1.172173285,1.337841737,1.041873815,1.291312007,1.387832548,1.176405116,1.225058708,-0.780077148,-0.925096975,-0.607071038,-0.687563631,-0.894625431,-0.609819876,-0.889848283
6515,C22 H43 N O3,Aplidiasphingosine,391.3055,11.399008,0.655466227,0.743418904,0.309523998,0.345608078,0.802516871,0.602191448,0.613093539,-0.398491264,-0.514426752,-0.260182259,-0.214090365,-0.656615521,-0.390541805,-0.403616573
6516,C12 H22 O2,7-Hexyl-2-oxepanone Esi+16.063976,198.1616,16.063976,1.20663578,1.037265315,1.259046665,1.084079769,1.113147598,0.995335938,1.204770204,-0.678904073,-0.66993625,-0.689602527,-0.674570336,-0.676547205,-0.595286649,-0.732815306
6517,C36 H70 N O9 P,PS(P-18:0/12:0) Esi+8.078986,691.471,8.078986,0.738770098,0.788151529,0.629732426,0.883796184,0.408189577,1.080956079,0.475119946,-0.804574615,-0.803275542,-0.806124387,-0.970035265,-0.55789383,-0.987199445,-0.686829659
6518,C12 H23 N O9,Acarbose (M8),325.1381,3.1640012,1.330493828,1.322456645,1.339737446,1.30220174,1.467521064,1.461132916,1.285992665,0.554949302,0.683551411,0.401529243,0.548174809,0.567641909,0.667368362,0.482468593
6519,C19 H18 N8 O19 P S,C19 H18 N8 O19 P S Esi+14.077951 :1,725.0146,14.077951,0.427521714,0.51210856,0.155734491,0.486832066,0.240847199,0.314295489,0.37464031,-0.168653586,-0.228809956,-0.096888091,-0.149207811,-0.208778871,-0.096653577,-0.215074643
6520,C48 H89 O13 P,"PI(22:2(13Z,16Z)/17:0)",903.5959,13.489012,1.19248336,1.031083397,1.32968399,1.142032308,1.175414255,1.135243287,1.188717709,0.712709783,0.691784493,0.737673286,0.704798908,0.70755595,0.728144315,0.702758571
6521,C37 H71 N O8 P,"PC(12:0/17:2(9Z,12Z))",687.4758,10.166014,0.752310512,0.635358548,0.751468469,0.611251768,0.751792307,0.927833095,0.560708227,0.354946902,0.357385971,0.352037135,0.343192469,0.347040462,0.497259954,0.263192434
6522,C29 H36 O8,Bisphenol A glycidylmethacrylate Esi+10.9330015,512.2392,10.9330015,1.772583227,1.601887469,1.820741669,1.699812574,1.712372472,1.61250558,1.783870627,2.362762095,2.217163631,2.536458509,2.388107278,2.300957341,2.298777683,2.404015204
6523,C19 H34 O5,13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid Esi+11.059005,342.2397,11.059005,0.381676253,0.376437806,0.29336388,0.440442636,0.28970325,0.149339178,0.493559626,-0.206503853,-0.261736169,-0.140612669,-0.182398621,-0.238785349,-0.078523176,-0.28901771
6524,C23 H35 N5 O4,Leu Trp Lys Esi+12.05102,445.2674,12.05102,0.34777181,0.580858378,0.160189375,0.213348718,0.317717842,0.112458106,0.358931156,-0.311742103,-0.593945277,0.024921332,-0.279580743,-0.383790856,-0.262272749,-0.343636818
6525,<none>,<none> Esi+13.291014 :1,850.0851,13.291014,0.146027819,0.244995326,0.181290789,0.169399889,0.090242699,0.03223076,0.101547164,0.001288447,-0.061338668,0.076001496,0.003259798,-0.017139997,0.038492384,-0.022698302
6526,<none>,<none> Esi+12.456036 :2,442.8002,12.456036,1.762824228,1.84339458,1.805075155,1.823097842,1.790264974,1.889128458,1.802242598,0.878466072,0.939236065,0.805968537,0.918309682,0.803957423,0.953327285,0.830200291
6527,C36 H69 O13 P,PI(15:0/12:0) Esi+8.119013 :1,740.4529,8.119013,0.049787541,0.116344607,0.292168831,0.044719343,0.106900625,0.068064765,0.136426394,-0.046259026,0.056797489,-0.16920364,-0.036703278,-0.071598808,0.032740539,-0.097192956
6528,C43 H70 O11,A28086B Esi+8.17898,784.4786,8.17898,0.130090957,0.014886642,0.333880142,0.181623325,0.057180403,0.026027656,0.196147148,-0.058991974,0.030753172,-0.16605636,-0.061963689,-0.070512428,0.038612078,-0.121920903
6529,C19 H26 O9,"Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside",398.1561,7.418001,1.793914762,1.750636576,1.809574892,1.800177734,1.737931613,1.918106516,1.717912058,2.68448962,2.558497967,2.834795452,2.783565456,2.513785079,2.89709077,2.547417826
6530,C14 H24 O4,Monomenthyl succinate Esi+4.7479897,273.1936,4.7479897,0.183785283,0.391827659,0.187407012,0.286150065,0.023812061,0.260666134,0.039545037,-0.178464204,-0.455080466,0.151534143,-0.275443069,-0.030301717,-0.270469766,-0.119144829
6531,C29 H63 N12 O2 S2,C29 H63 N12 O2 S2,675.4624,13.722971,0.960806775,1.244543192,0.402356273,1.025079327,0.751181082,1.004378371,0.840515171,-0.597043635,-0.89167092,-0.245558453,-0.598417754,-0.576377281,-0.659772211,-0.556600211
6532,C23 H38 N7 O2,C23 H38 N7 O2,444.3185,14.012958,1.092497448,0.864326505,1.530058498,1.149655368,1.066715207,1.136681151,1.141533811,0.594040325,0.492614598,0.715039439,0.608955966,0.558829413,0.632171301,0.56945588
6533,C22 H38 N6 O6,C22 H38 N6 O6,482.2966,11.673015,1.460545143,1.509279012,1.329106953,1.533624698,1.269178525,1.496025886,1.389389059,1.071083978,1.143069352,0.98520669,1.165838998,0.913577768,1.150160971,1.020100127
6534,C19 H34 O7,Tsangane L 3-glucoside Esi+9.754005,374.2289,9.754005,0.00687993,0.042178041,0.062674304,0.057349466,0.069080702,0.13029626,0.088402601,-0.007243283,-0.020392221,0.008443169,0.027877573,-0.081003111,0.133508798,-0.097991336
6535,C41 H64 N4 O8,Antanapeptin C Esi+14.919987,757.4984,14.919987,1.522297778,1.454061888,1.497871244,1.498814258,1.465951007,1.488394583,1.489042908,1.269527116,1.274001974,1.264188689,1.311483662,1.214551297,1.323716521,1.234589211
6536,C23 H28 Cl N3 O P,C23 H28 Cl N3 O P,428.1643,6.2969975,0.034529519,0.191890118,0.160863558,0.248451576,0.189476779,0.016590463,0.070756406,-0.059447092,-0.124746084,0.01845346,-0.164609853,0.091512331,0.006057105,-0.101680061
6537,C36 H58 O12,Fusicoccin A Esi+10.990984,699.4194,10.990984,0.209370208,0.17306711,1.000845026,0.175197372,0.413973556,0.152409582,0.334473823,0.134866471,-0.034369655,0.336762201,0.119429866,0.155785402,0.080848119,0.169694093
6538,C28 H37 N2 O S,C28 H37 N2 O S,449.262,9.3680105,1.224269844,1.166106862,1.08882338,1.176561552,1.157125931,1.109240833,1.225676252,1.639442999,1.686477257,1.583331955,1.592404265,1.710105612,1.604945354,1.661684902
6539,C13 H23 N O5,C13 H23 N O5,273.1615,5.760989,0.111279373,0.286453283,0.152319756,0.118006021,0.035793526,0.494797391,0.173808259,0.000904768,-0.073052976,0.08913506,-0.034155353,0.03871506,-0.233288156,0.151897575
6540,C9 H16 N6 O3,Decarbamoylsaxitoxin,256.1281,8.280022,0.317427316,0.573041296,0.078534283,0.333116855,0.2428345,0.612961054,0.123059866,-0.289001945,-0.492972373,-0.045668802,-0.356765339,-0.174070317,-0.444541075,-0.188720137
6541,C21 H39 N O5,N-palmitoyl glutamic acid Esi+9.725993,385.2828,9.725993,0.003390765,0.17299754,0.197502916,0.232899634,0.267172369,0.109374572,0.121381587,0.011549457,-0.059339996,0.096119331,-0.067358174,0.100302696,-0.06762207,0.062594257
6542,C14 H18 O4,Helinorbisabone Esi+9.050022,250.1193,9.050022,0.354414469,0.583711533,0.088480706,0.352970222,0.4212415,0.243565722,0.423766016,-0.176799553,-0.335683568,0.01274629,-0.146301282,-0.232939886,-0.157381265,-0.189319239
6543,C27 H45 N O4,N-stearoyl tyrosine Esi+12.049008,447.3339,12.049008,0.826370502,0.9005918,0.446228509,0.659395088,0.963328223,0.755068793,0.785789719,-0.647793828,-0.877862685,-0.373325718,-0.505933705,-0.834621185,-0.752910781,-0.580021056
6544,C15 H20 O5,"8-Deoxy-11,13-dihydroxygrosheimin Esi+6.46301",280.1286,6.46301,1.073524856,1.192819502,1.106978578,1.146019304,1.021208915,1.177967515,0.999580048,0.734196318,0.764476263,0.698072874,0.775521315,0.654363986,0.805252303,0.688383906
6545,C18 H3 Cl N O12 P S5,C18 H3 Cl N O12 P S5,650.7725,11.571027,1.133446644,1.075938379,1.089452086,1.184953202,0.94371144,1.007564786,1.155216326,-0.754500241,-0.849718393,-0.640906656,-0.739348768,-0.797089981,-0.635979696,-0.830914803
6546,C6 H6 O2,Pyrocatechol,110.0367,6.3950114,0.33969696,0.36085014,0.283309177,0.363241133,0.299705207,0.213186606,0.349487279,-0.16559745,-0.167881844,-0.162872209,-0.126582565,-0.229994925,-0.078239685,-0.22192022
6547,C29 H62 Cl N2 O4 P,C29 H62 Cl N2 O4 P,568.409,15.214039,0.110962069,0.309633306,0.138437298,0.152190331,0.030410628,0.191696994,0.093746218,0.002599488,0.103180878,-0.117392345,-0.014270841,-0.016662803,-0.008775713,0.0099335
6548,C46 H72 N10 O12,Cyanopeptolin A,956.5253,13.875981,1.255320073,0.885657675,1.732209849,1.181240654,1.413463337,1.053828381,1.449237756,0.572485121,0.437158346,0.733927588,0.571128102,0.571950251,0.507911461,0.614118138
6549,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+8.68701,509.2712,8.68701,0.275879245,0.444858327,0.001869622,0.377070037,0.034173174,0.50184927,0.119793717,-0.341056715,-0.551198939,-0.090360728,-0.562452925,-0.029126281,-0.632468158,-0.153173021
6550,C40 H64 O12,Nonactin Esi+14.347972,736.4374,14.347972,0.470120403,0.558996487,0.349573124,0.620056033,0.446880448,0.282042439,0.567464503,-0.256974222,-0.306358423,-0.198059736,-0.23404003,-0.314509536,-0.091522108,-0.363647295
6551,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+7.6429768",427.3137,7.6429768,0.812246306,0.722218027,0.981920558,0.964936539,0.626133152,0.686032712,0.827437943,-0.416876347,-0.359739762,-0.485039291,-0.423105925,-0.427224769,-0.303939965,-0.489690594
6552,C16 H N2 O10 P S3,C16 H N2 O10 P S3 Esi+13.760988,507.8494,13.760988,1.833348314,2.030530115,1.805909787,1.877190785,1.963852742,2.093983265,1.828091394,1.111689298,1.208943474,0.995666773,1.157111772,1.030826681,1.223725987,1.039455118
6553,C32 H49 N O5,Daphniphylline Esi+9.675022,527.3655,9.675022,0.772642699,0.554802406,0.926436531,0.668226801,0.849301498,0.318029835,0.921926384,-0.797640394,-0.539426502,-1.105685036,-0.608123478,-1.088776213,-0.219261997,-1.170542255
6554,C40 H64 N4 O8,C40 H64 N4 O8,728.4764,14.120041,0.045413183,0.17441502,0.049742375,0.163513733,0.114518035,0.184909651,0.024850074,0.01963372,0.143673797,-0.128343916,0.190399629,-0.233817997,0.160402492,-0.071125094
6555,C33 H36 N4 O6,(3Z)-Phytochromobilin Esi+16.277042,584.263,16.277042,0.585831837,0.478826928,0.618264274,0.605129719,0.507457309,0.398286291,0.609751516,-0.596340717,-0.448968524,-0.772153158,-0.586033789,-0.607582466,-0.367390026,-0.743953663
6556,C32 H66 Cl N O3 S2,C32 H66 Cl N O3 S2,611.416,12.155023,0.01998637,0.129876599,0.133917597,0.010910978,0.075306879,0.037265056,0.030028028,-0.082989084,-0.074042839,-0.093661799,-0.047455379,-0.167364653,-0.021132063,-0.122870585
6557,C14 H26 O6,1-Octen-3-yl glucoside Esi+6.196012,290.1728,6.196012,2.042568328,2.008116735,2.233853699,1.990285244,2.297294146,1.966340685,2.228496146,2.677816147,2.561555883,2.816512601,2.523277285,2.859534063,2.543336344,2.76452023
6558,C23 H49 N O7 P,PC(7:0/O-8:0) Esi+15.562989,482.3233,15.562989,1.338474589,1.472146399,0.919836278,1.312284782,1.219442347,1.299131358,1.30123583,-0.814277064,-0.920402816,-0.687670902,-0.801647621,-0.815474208,-0.813447344,-0.814812014
6559,C18 H16 N O2,C18 H16 N O2,278.1169,5.543993,1.086150565,1.089447299,0.903350953,1.036773853,1.080439408,1.163137279,0.974337996,1.286233405,1.39439938,1.157193294,1.329536106,1.222985611,1.43221027,1.192116742
6560,C19 H21 N O7 S,Erysothiopine,424.1338,9.505997,1.532416497,1.474072228,1.670315851,1.403318208,1.817856124,1.48626584,1.637404747,1.387680594,1.221995174,1.585340392,1.142017911,1.739751987,1.126876927,1.555830326
6561,C14 H24 O2,13-Tetradecynoic acid Esi+15.541015,224.1796,15.541015,1.319713533,1.205509343,1.572089349,1.143414815,1.586553829,1.373606549,1.376219936,1.059577562,0.996507956,1.134818495,0.951020513,1.219579709,1.141784773,1.006575543
6562,C17 H22 N2 O4,C17 H22 N2 O4 Esi+5.234006,318.1633,5.234006,0.682874327,0.801431043,0.412414048,0.722268174,0.524687258,0.719878912,0.615183074,0.512708259,0.744792214,0.235836173,0.588126431,0.429264735,0.636223297,0.433073564
6563,C16 H3 N2 O23 P,C16 H3 N2 O23 P,621.8849,11.780024,1.380739597,1.337456613,1.520806643,1.451735636,1.275746847,1.406357249,1.399610508,0.659732186,0.686408687,0.627907588,0.691728675,0.591096925,0.696767584,0.635854101
6564,C30 H46 O5,Lucyin A Esi+14.791993,486.3346,14.791993,1.570129022,1.691756299,1.397109138,1.688861338,1.437897795,1.670918782,1.487465798,-1.190605083,-1.35745337,-0.991558004,-1.20837386,-1.181173398,-1.248070788,-1.153554827
6565,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+15.753967",436.3525,15.753967,0.907062393,1.001527486,0.68434973,0.86863655,0.828046121,0.77066879,0.885579956,-0.443558645,-0.608723115,-0.246520329,-0.448409455,-0.421252916,-0.434883748,-0.44915167
6566,C42 H67 P S2,C42 H67 P S2,664.4378,12.742992,1.135861444,1.273588466,1.009245675,1.277308861,1.268045727,1.14597327,1.229117668,-0.593230189,-0.644694951,-0.531833631,-0.52267959,-0.70284444,-0.406704876,-0.713489931
6567,C17 H31 N O4,C17 H31 N O4 Esi+8.36203,313.2246,8.36203,0.695310443,0.812559931,0.490358216,0.775857424,0.400530531,0.729520338,0.577058853,-0.824542075,-0.926572889,-0.702821103,-0.927520358,-0.645462531,-0.940068858,-0.750057701
6568,C34 H56 O9,Torvoside G Esi+8.871981,625.4132,8.871981,0.828677116,0.79308974,0.819258036,1.015375684,0.571971049,0.829842921,0.748607054,-0.450274258,-0.402126627,-0.507713538,-0.496765879,-0.40190514,-0.37983887,-0.495686548
6569,C14 H Cl N O12 P S5,C14 H Cl N O12 P S5,600.755,14.191964,0.225682294,0.213686603,0.127262793,0.346808868,0.028086622,0.114594517,0.225776749,-0.068545517,-0.070107543,-0.066682046,-0.100810415,-0.051463071,-0.025549526,-0.096266616
6570,C35 H56 Cl N2 O5,C35 H56 Cl N2 O5,619.406,11.792986,0.97040646,0.973080133,0.705365592,0.807494258,0.862191165,0.833353558,0.913277806,1.600212523,1.751371991,1.41988193,1.580853901,1.587203476,1.561505575,1.625168319
6571,C49 H91 O13 P,"PI(18:0/22:2(13Z,16Z))",917.6066,14.553974,2.167440002,2.12363006,1.926023197,2.162090673,1.99241175,2.001744708,2.125406811,-2.127931922,-2.278738751,-1.948022021,-2.085508345,-2.186489554,-2.128517806,-2.127554182
6572,C9 H12 O3,4-Ipomeanol Esi+7.7159758,168.0785,7.7159758,0.241822785,0.036490281,0.464230814,0.101555408,0.262433733,0.347545241,0.163414291,0.203435791,0.088861678,0.340120699,0.203958044,0.1891468,0.28732229,0.149351075
6573,C23 H51 N25 O2,C23 H51 N25 O2 Esi+11.5,709.4654,11.5,0.739491591,0.705257733,0.757964258,0.692457635,0.690175171,0.830935038,0.676744019,0.428286055,0.455062141,0.396342654,0.452601262,0.362698905,0.534923111,0.359533216
6574,C26 H32 O12,8-Hydroxypinoresinol 4-glucoside,558.1688,14.574968,0.577725108,0.754858285,0.284579671,0.632683942,0.412544342,0.708298211,0.414703329,-0.404851921,-0.54097328,-0.242461528,-0.431763941,-0.384052904,-0.556428011,-0.307125231
6575,C13 N O21 P,C13 N O21 P,536.8702,14.079032,1.545768299,1.664988235,1.523204613,1.616429465,1.542308961,1.817517128,1.49079004,0.953302912,1.021811795,0.871573015,0.975033316,0.912575105,1.061136536,0.883778601
6576,C21 H44 O5,C21 H44 O5 Esi+14.344975,376.3184,14.344975,0.820142512,0.586664893,0.92855552,0.727571993,0.757100072,0.661400997,0.798640014,0.695741135,0.550496039,0.869015986,0.700112688,0.682468398,0.614901495,0.747861428
6577,C28 H49 N O8,Dihydropicromycin Esi+9.212997,544.3688,9.212997,0.220250802,0.231165576,0.235065224,0.513297494,0.129934456,0.557236201,0.048213608,-0.382712542,-0.360290138,-0.409462075,-0.572372996,-0.104938017,-0.552434532,-0.273286522
6578,C25 H52 N O6 P,PE(P-20:0/0:0) Esi+10.131009,492.3452,10.131009,0.702229288,0.642791749,0.750827473,0.930863226,0.347236794,0.784008599,0.56807287,-0.562925734,-0.506579789,-0.630145457,-0.650650483,-0.449222108,-0.568026218,-0.559637264
6579,C19 H50 N24 O,C19 H50 N24 O,629.4355,12.254971,1.461441392,1.185018289,1.410804253,1.23793482,1.324269842,1.17445325,1.364657477,1.60716909,1.478762011,1.760356482,1.511431196,1.720207112,1.548739134,1.644841035
6580,C14 H22 O,Carylophyllene Oxide,206.1667,15.037038,1.500359829,1.511471001,1.27701355,1.427943849,1.384733039,1.397013012,1.423486627,-0.986406744,-1.138521937,-0.804935986,-1.005365079,-0.961268159,-0.968255771,-0.998109344
6581,C61 H92 O6,"TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]",919.6776,15.916993,0.371130244,0.323667207,0.354764529,0.325998499,0.40235588,0.275325427,0.431204985,-0.107397184,-0.096891188,-0.119930652,-0.064954868,-0.175343933,-0.057863362,-0.139333464
6582,C21 H38 O3,Glycidyl oleate,338.281,13.738022,0.559467818,0.634937283,0.295759166,0.395158663,0.490182548,0.39297029,0.572423539,-0.269858876,-0.394008305,-0.121750785,-0.279401787,-0.232987538,-0.285203803,-0.259965436
6583,C44 H75 O9 P,"PG(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",778.5231,14.326973,0.664393975,0.618246325,0.932830152,0.921471293,0.579283412,1.098333662,0.533459749,0.735157258,0.697948889,0.779546189,0.862832703,0.558389856,0.985603807,0.573685141
6584,C17 H2 N3 O22 P,C17 H2 N3 O22 P,630.8879,12.851012,0.901512716,1.16153754,0.387948472,0.789860576,0.901502809,1.019096746,0.78492751,-0.551084199,-0.794042533,-0.261239169,-0.505933487,-0.592998043,-0.684317643,-0.465183689
6585,C29 H50 O6,28-Homobrassinolide,516.3487,12.729984,1.631140637,1.807701392,1.503993826,1.643924681,1.722666325,1.771564849,1.684514793,0.908700625,1.033405222,0.75993023,0.920714893,0.867394018,0.990028945,0.856265262
6586,C22 H40 N2 O4,N-oleoyl asparagine,395.287,9.735003,0.95837676,0.837265456,1.090234824,0.986518254,0.913662017,0.94038087,0.952318951,-0.582391988,-0.45626305,-0.732861597,-0.543525783,-0.659676384,-0.466585468,-0.657056717
6587,C13 H O21 P S,C13 H O21 P S,555.8465,11.968014,1.55791964,1.770795516,1.555949562,1.687219854,1.598385369,1.852295593,1.560813969,1.002989899,1.130878716,0.850420784,1.094804585,0.8355312,1.183016913,0.886919851
6588,C23 N O17 P S3,C23 N O17 P S3,688.8066,13.766036,0.824190035,0.841232519,0.695232287,0.936079673,0.50063587,0.753214607,0.761016043,-0.506663708,-0.523226325,-0.486904798,-0.558862916,-0.455310744,-0.4290056,-0.556732752
6589,C11 H Cl2 O16 P S4,C11 H Cl2 O16 P S4,617.7439,13.103023,1.199554653,1.212324393,1.234430603,1.25023142,1.169417553,1.302909118,1.18798853,0.617545584,0.651579031,0.576944277,0.640805425,0.57239043,0.653699854,0.594235593
6590,C18 H24 O7,Coriandrone D Esi+5.373003,352.1547,5.373003,0.252641548,0.106642495,0.270701865,0.0394873,0.528129173,0.062460678,0.273860756,-0.057053375,-0.005158069,-0.118963565,0.128627965,-0.326462192,0.079652154,-0.145192466
6591,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+6.4069896",172.1102,6.4069896,0.731843416,0.528657797,0.864456005,0.669339059,0.675433406,0.650121042,0.720358292,0.23329724,0.190515968,0.284334547,0.241678095,0.210370559,0.233358942,0.233257458
6592,C33 H61 Cl N O3 P,C33 H61 Cl N O3 P,585.4051,12.399987,1.184825405,1.005903802,1.37343149,0.942153226,1.373341287,1.174474252,1.159451478,1.518049184,1.477625049,1.566274469,1.485643721,1.531682978,1.854421232,1.301177732
6593,C15 H27 N2 O3,C15 H27 N2 O3,282.1819,9.316007,1.190271174,1.328555384,0.799367544,1.253823677,0.989214602,1.250402542,1.059407786,-1.060551065,-1.211321706,-0.880684336,-1.088594153,-1.020055049,-1.139722096,-1.009506584
6594,C21 H30 O2,C21 H30 O2,314.2239,11.684002,2.188413997,2.095794429,2.37679187,2.116786557,2.405042756,2.02671408,2.393764534,3.062963059,2.620081188,3.591313362,2.798390214,3.403626549,2.561789163,3.386088334
6595,C36 H63 N5 O6,C-12 NBD-dihydro-Ceramide Esi+14.231989,683.4667,14.231989,1.26287562,1.245466386,1.188061599,1.124656851,1.246774823,1.273579245,1.15757419,1.448616315,1.476250347,1.415649401,1.458686344,1.430546307,1.537419936,1.39136135
6596,C30 H55 N O11,Descladinosyl-6-O-methylerythromycin Esi+13.186017,627.3697,13.186017,1.611939944,1.971939079,1.387495826,1.843183564,1.594524831,1.969264832,1.557497368,-2.188842166,-2.471298838,-1.851876311,-2.37215755,-1.932510692,-2.218738407,-2.169566957
6597,C18 H24 O4,Prosolanapyrone II,326.1481,9.288977,0.227900498,0.240286094,0.21046659,0.323020243,0.110741506,0.257205102,0.144418949,-0.036910302,-0.076513429,0.010335533,-0.067885332,-0.002451371,-0.102360476,0.005287836
6598,C25 H38 O5,Cavipetin D Esi+12.513986,418.2678,12.513986,0.198665558,0.023495163,0.370676821,0.020449679,0.459343853,0.11540309,0.31575063,0.274340254,0.088955952,0.495500474,0.119973338,0.513451577,0.109621346,0.380540603
6599,C21 H43 N14 O9 P S,C21 H43 N14 O9 P S Esi+6.301015 :1,698.2781,6.301015,1.977282933,1.881689152,1.895464217,1.847598329,2.057841427,1.828354154,2.003638681,2.22252582,2.374214745,2.041563593,2.075706397,2.414890842,2.223200167,2.222091043
6600,C49 H82 N O8 P,"PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",843.5768,14.864991,1.073455252,1.02971264,0.912258147,1.061684701,0.898312696,0.947010656,1.003888581,-0.991815219,-1.076759155,-0.890478595,-0.954955573,-1.056417517,-0.990088447,-0.992928533
6601,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.6920094",298.14,6.6920094,2.391694207,2.230036684,2.48320464,2.324891074,2.439117266,2.272309663,2.45017794,3.084577762,2.91789297,3.283429795,3.018617314,3.148239093,3.058690206,3.101268423
6602,C28 H44 N9 O2,C28 H44 N9 O2,538.3612,15.095963,0.46145463,0.525556516,0.238482482,0.489378677,0.398527702,0.36493351,0.370249219,-0.11419325,-0.209536363,-0.000450589,-0.106746239,-0.143437688,-0.0972406,-0.125123248
6603,C44 H86 N O10 P,PS(18:0/20:0) Esi+13.8100395,819.5856,13.8100395,0.295062366,0.430346678,0.037806606,0.253305831,0.3413023,0.236711548,0.300374656,-0.15027381,-0.287016514,0.012857837,-0.115231394,-0.208298643,-0.134212496,-0.160629131
6604,C6 H12 O6,D-Fructose Esi+0.96800154,180.0645,0.96800154,0.376584543,0.117556521,0.716912855,0.219840698,0.623985192,0.316721837,0.474781643,0.26484835,0.183931596,0.361380618,0.214404494,0.327416895,0.345628286,0.212766549
6605,C8 H8 Br Cl2 O3 P S,Bromofos Esi+6.3780065,363.8461,6.3780065,1.650297096,1.858338334,1.60396934,1.791147846,1.965936201,1.871878165,1.773269205,-2.152503739,-2.331898893,-1.938488467,-2.009514773,-2.304804223,-1.859866526,-2.341177731
6606,C19 H27 N O2,"Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolidinyl)propyl]-",301.2064,9.788003,0.691708449,0.660199532,0.692655975,0.747057533,0.430976048,0.854813351,0.59519617,0.478414606,0.445676822,0.517470209,0.572817421,0.339589038,0.585825304,0.409162972
6607,C52 H85 N O16,C52 H85 N O16 Esi+12.899975,979.5867,12.899975,0.218427423,0.152259221,0.94886846,0.273394473,0.334333416,0.095930007,0.391766774,0.145990214,-0.029471977,0.35531353,0.156613252,0.139755452,0.051610377,0.206840372
6608,C37 H64 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+9.089998",680.4309,9.089998,0.301266449,0.416951442,0.115525052,0.298768273,0.29219894,0.488008729,0.231856309,0.141403567,0.229824842,0.035918537,0.180316404,0.064585656,0.272460829,0.056906122
6609,C20 H32,gamma-Pinacene,289.2765,12.683026,0.295887849,0.412229516,0.021382161,0.213887116,0.303085686,0.516886563,0.139075184,-0.151579924,-0.201017623,-0.092601616,-0.082368952,-0.228403035,-0.23060587,-0.100628985
6610,C11 H21 N3 O6 S,Thr Thr Cys,322.1074,5.2020135,0.13605322,0.120808292,0.587671986,0.046684306,0.306349195,0.095829331,0.145534857,0.148165017,-0.251892651,0.625426797,0.039046965,0.306233854,0.181419108,0.12672488
6611,C33 H61 O8 P,"PA(18:2(9Z,12Z)/12:0)",615.4024,14.472971,0.87316985,1.053600104,0.435571074,0.750524847,0.766985453,0.821626228,0.740760932,-0.625648119,-0.847513362,-0.360966776,-0.569580416,-0.659703459,-0.682341289,-0.589095943
6612,C32 H50 O10,13-Deoxytedanolide Esi+12.715977,594.3378,12.715977,2.271128241,2.153341957,2.369772345,2.269025159,2.295598295,2.10138253,2.364632123,2.896925794,2.801872607,3.010322578,2.946535149,2.813855801,2.822223168,2.945089329
6613,C33 H58 N9,C33 H58 N9,580.4813,16.81805,1.008504264,1.120103244,0.717394637,0.899393856,0.894175322,1.006343084,0.891805941,-0.577894122,-0.750155112,-0.372389784,-0.547498047,-0.590921731,-0.655861085,-0.52762595
6614,C36 H42 N2 O7,C36 H42 N2 O7,614.3007,11.764981,0.15752854,0.04682611,0.516012722,0.217663854,0.100841092,0.084040186,0.267037124,0.157066772,0.02941824,0.309349232,0.231499736,0.044635066,0.103329605,0.191713104
6615,C28 H42 O9,"14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid Esi+8.982018",522.2782,8.982018,0.574053602,0.413295466,0.709782922,0.642931356,0.434964577,0.678414626,0.476966899,0.362194576,0.30676792,0.428317605,0.424016008,0.267306633,0.489783137,0.279933531
6616,C10 H20 N6 O4,Asparaginyl-Arginine Esi+6.144009,288.158,6.144009,0.935740688,0.680819958,1.149799438,0.807359305,0.955001423,1.046618792,0.817206975,0.51979726,0.418444114,0.640709785,0.516984315,0.511743136,0.644863551,0.439162414
6617,C18 H36 O4,"9,14-dihydroxy-octadecanoic acid",316.2609,11.468995,1.503318273,1.511938661,1.703393,1.489909246,1.782057829,1.677807763,1.572631433,1.225462211,1.04331876,1.442756154,1.107428552,1.407525516,1.142598639,1.278887409
6618,C19 H32 O7,9-Hydroxy-7-megastigmen-3-one glucoside,372.211,9.854986,0.884271673,0.73797577,1.168058076,0.895842199,0.837974738,0.667282694,0.98504496,-0.639029951,-0.455357659,-0.858147772,-0.560404584,-0.778456141,-0.39933534,-0.793569897
6619,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.555973",522.4283,16.555973,0.910086165,0.897023006,0.721166032,0.896617932,0.728550373,0.768478689,0.880865756,-0.578979569,-0.672673212,-0.467204698,-0.612161598,-0.537389031,-0.544795959,-0.601019003
6620,C19 H24 N4 O4,Ala Pro Trp Esi+10.416014,372.1765,10.416014,2.144880024,1.91791327,2.272281496,2.065431989,2.206132101,1.982774034,2.171736741,3.073853324,2.696263846,3.524310948,2.845279356,3.39028823,2.863146316,3.209703895
6621,C44 H80 N O10 P,"PS(16:1(9Z)/22:2(13Z,16Z))",813.5521,11.955003,0.145289964,0.170008251,0.048663333,0.13762116,0.117677205,0.200036843,0.277258901,-0.054207705,-0.039302313,-0.071989576,-0.019563237,-0.118842465,0.123981472,-0.169092832
6622,C18 H28 N9 O,C18 H28 N9 O,386.2378,5.718009,0.503474255,0.502433331,0.422614528,0.557833462,0.419868317,0.23175968,0.636046751,-0.381715606,-0.379068375,-0.384873707,-0.419953521,-0.347414427,-0.241460753,-0.472143077
6623,C21 H27 D3 O2,CAY10429-d3,339.2253,6.020011,1.327207848,1.442206148,0.990925979,1.344494507,1.147636519,1.335841773,1.205825152,-0.718686319,-0.841908545,-0.571684364,-0.710197879,-0.738445188,-0.735276766,-0.707989846
6624,<none>,<none> Esi+13.353023 :1,828.0721,13.353023,0.107355638,0.232606815,0.24837533,0.158410964,0.15624803,0.047805321,0.014177374,0.024082108,-0.04643046,0.108202365,0.022111498,0.011741978,0.046122399,0.009871921
6625,C41 H70 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) Esi+13.311021",735.4875,13.311021,1.091593926,0.933949197,1.096241542,0.985714468,0.977366375,0.938012552,1.062068168,0.673618176,0.672221478,0.675284413,0.690016349,0.638609578,0.700764494,0.656115945
6626,C22 H34 N2 O2,3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime,380.2437,9.534015,0.343806596,0.385858735,0.178881296,0.328011268,0.253550878,0.323662869,0.332043916,-0.183059105,-0.176489798,-0.190896173,-0.214377338,-0.13604817,-0.214222672,-0.162966805
6627,<none>,<none> Esi+10.905024 :1,701.4905,10.905024,0.216861709,0.136602207,0.243578181,0.301179997,0.078626723,0.057199738,0.319215402,-0.122250662,-0.067445076,-0.187632764,-0.122757491,-0.147155524,0.022707397,-0.215710462
6628,C11 H14 O3,3-Hydroxyphenyl-valeric acid Esi+6.881988,194.0922,6.881988,0.831320117,0.730307232,0.72037729,0.746702189,0.69823705,0.901261835,0.665306729,0.707674063,0.73739132,0.672221896,0.728712281,0.620057108,0.871990208,0.60173339
6629,C33 H54 N6 O11,C33 H54 N6 O11 Esi+12.116964,710.3851,12.116964,0.455048336,0.244072391,0.642215837,0.457218461,0.376503913,0.562575314,0.34309671,0.290490225,0.210967562,0.385359366,0.355574871,0.188166933,0.369061523,0.239832414
6630,C25 H41 N O2,"3,5-Didecanoylpyridine",386.3024,14.274969,2.150444636,2.242024144,2.094678736,2.197886381,2.269348115,2.421112454,2.150213137,-1.452553046,-1.614796775,-1.258999123,-1.484315101,-1.410456884,-1.54162294,-1.395126403
6631,C44 H81 N O9 P,"PC(16:0/20:4(6E,8Z,11Z,14Z)(5OH[S]))",797.5581,14.166014,0.470308035,0.490104054,0.375882275,0.607695083,0.259575963,0.478915111,0.354530911,-0.193836604,-0.227197742,-0.154037352,-0.212026934,-0.179598525,-0.23107549,-0.169827323
6632,C34 H69 O9 P,PG(O-16:0/12:0) Esi+15.193044,674.4617,15.193044,0.554967135,0.619520134,0.231744141,0.469331765,0.451483298,0.399257083,0.489638842,-0.318144859,-0.410570118,-0.207883146,-0.308100636,-0.331491054,-0.285371088,-0.339275316
6633,C37 H62 O10,Notoginsenoside T2,666.4319,14.2240505,0.26250795,0.120340867,0.341118227,0.222445417,0.237587136,0.16919159,0.326272175,0.319277114,0.204427977,0.456290121,0.291248236,0.344235385,0.202750996,0.394405796
6634,C28 H56 N10 O3 P,C28 H56 N10 O3 P,611.4271,13.978023,0.32434913,0.506077766,0.000939913,0.042433042,0.642373357,0.111784532,0.445255866,-0.131584563,-0.405484601,0.195173377,0.115411816,-0.470608216,-0.048452717,-0.185182727
6635,C40 H79 N O7 P,PC(P-18:1(9Z)/14:0) Esi+14.019028,698.4894,14.019028,0.698883593,0.670393606,0.745095385,0.877469694,0.454686456,0.918551782,0.616853124,0.48149473,0.497668961,0.462199157,0.613870385,0.292440479,0.616601772,0.394386243
6636,C40 H75 O12 P,PI(P-16:0/15:1(9Z)) Esi+13.379982,777.4895,13.379982,1.618843397,1.494956493,1.760365903,1.628483195,1.655877579,1.646470623,1.653911664,2.372207594,2.08181624,2.718639385,2.263224948,2.500471183,2.227100072,2.46576376
6637,C23 H48 O6,C23 H48 O6 Esi+14.387957,420.3425,14.387957,0.948779038,0.949571719,0.875650398,0.957999004,0.900553292,0.919233385,0.901286807,0.658881027,0.69188763,0.61950473,0.684631617,0.604505078,0.661316349,0.657310886
6638,<none>,<none> Esi+12.729984,626.7631,12.729984,0.113635576,0.058581021,0.285344406,0.031590731,0.275620219,0.000353345,0.284390857,0.100460563,0.070041209,0.136750319,0.083111369,0.10531729,0.046170208,0.135463555
6639,C26 H54 N O7 P,PC(2:0/O-16:0)[U] Esi+9.196022,522.3555,9.196022,0.280185409,0.329977596,0.25452686,0.494466073,0.042249563,0.639676683,0.062307524,-0.480255713,-0.50020246,-0.456459594,-0.65616403,-0.214659328,-0.734307371,-0.31645925
6640,C19 H31 N O,17a-Aza-D-homoandrost-5-en-3beta-ol Esi+10.989992,306.2662,10.989992,1.5922541,1.705251262,1.760924095,1.551785745,1.934167757,1.837609222,1.681358091,-0.564869375,-0.662118985,-0.448852297,-0.512767048,-0.638067834,-0.581818729,-0.553941503
6641,C15 H26 O7,C15 H26 O7,317.1886,5.7989964,0.248902701,0.089671831,0.549335092,0.400742098,0.205244284,0.225755818,0.260449458,0.092439447,-0.089797331,0.309844725,0.091734974,0.140280818,0.003583918,0.14972788
6642,C32 H26 O14,Actinorhodin,656.1136,12.634017,0.247743865,0.370005659,0.107895789,0.166723631,0.045498685,0.309558518,0.015124087,-0.033494703,-0.144540164,0.098980583,-0.018402961,-0.075953116,-0.154089644,0.044257298
6643,C24 H48 N O7 P,PE(19:1(9Z)/0:0) Esi+14.106994,492.3051,14.106994,1.572996551,1.30791081,1.722202529,1.465466088,1.585086525,1.315644039,1.670555836,1.5269782,1.35990757,1.72629053,1.445783376,1.629151032,1.30716976,1.668696799
6644,C11 H9 F N6,CGP 57380,266.0713,2.9600046,0.918082584,0.949226248,0.81681457,0.808559632,1.073033847,0.76003066,0.964434309,0.337525628,0.431611707,0.225282586,0.297843437,0.416008702,0.311637349,0.354216755
6645,C17 H28 N O2,C17 H28 N O2,278.2083,8.5899935,0.276595377,0.178195549,0.26848846,0.060788058,0.388063855,0.184905737,0.218612726,-0.154455069,-0.092950744,-0.227828649,-0.023698383,-0.34771016,-0.066455381,-0.211191709
6646,C32 H38 O16,Hexandraside E,678.2143,3.793013,0.105543086,0.287889915,0.083640433,0.018733386,0.159817218,0.054089081,0.117978228,0.062330339,0.131030146,-0.019627325,0.008751359,0.146990763,0.050684316,0.069838959
6647,C37 H71 O10 P,PG(17:0/14:1(9Z)) Esi+13.5600395,706.4828,13.5600395,0.995144011,0.953693949,1.082655273,0.95873845,0.983491304,1.263801252,0.876536113,0.638359956,0.661911006,0.610263968,0.651963376,0.593708831,0.817640063,0.522771466
6648,C35 H58 N4 O5 S,Prostaglandin A1-biotin Esi+7.1760173,663.4393,7.1760173,0.398924718,0.221054108,0.665520285,0.471365456,0.3507975,0.124131621,0.553595901,-0.205390318,-0.090927261,-0.341942738,-0.196079367,-0.238858217,-0.040228707,-0.311876094
6649,C15 H25 N5 O15 P2,Phosphoribulosylformimino-AICAR-P,599.0643,12.856997,1.730551782,1.704820607,1.722080503,1.667831312,1.792716076,1.585697453,1.829602979,1.130060463,1.193968355,1.053819469,1.140623569,1.095671869,1.098951358,1.15011765
6650,C27 H42 O6,Lucidenic acid M Esi+13.424016,479.3342,13.424016,0.130558786,0.263618926,0.102366141,0.017618341,0.351996963,0.214216022,0.206616217,0.201321369,0.247840894,0.145824393,0.131473103,0.276041313,0.22295652,0.187372391
6651,C31 H57 N O10,C31 H57 N O10,603.4043,13.455016,1.098534938,1.02355562,1.240945484,1.169058625,1.089470632,1.179742923,1.120485724,1.362540902,1.217744323,1.53528068,1.416265996,1.266404718,1.377896591,1.352640524
6652,C16 H21 N5 O2,Alizapride,315.1704,6.936006,0.488498245,0.382661836,0.528861925,0.387809643,0.689478894,0.473498396,0.514959173,-0.333178371,-0.22575482,-0.461332783,-0.189145336,-0.543123774,-0.193424991,-0.423282524
6653,C14 H24 N6 O4,Lys Gly His Esi+8.751981,340.186,8.751981,1.480591961,1.28886099,1.766606017,1.50178403,1.501413327,1.30506019,1.62637151,1.37334845,1.221835662,1.554100547,1.346603259,1.389899729,1.236828453,1.461367921
6654,C9 H14 N2 O,3-Isopropyl-2-methoxy-5-methylpyrazine Esi+3.21999,166.1102,3.21999,0.062744452,0.242610464,0.365274464,0.145773059,0.129710396,0.068578522,0.060607264,-0.031972937,0.029472649,-0.105276444,-0.009595438,-0.04967952,-0.028259675,-0.034367014
6655,C35 H66 O13,methyl 13-sophorosyloxydocosanoate Esi+10.717023,694.4469,10.717023,1.070390255,1.078463457,1.039169994,1.084281415,0.915410869,1.169907118,1.000308452,0.546117789,0.603615269,0.477524306,0.592567099,0.449667696,0.660465459,0.472393634
6656,C18 H28 N6 O4,Ala Arg Phe,392.2173,13.216006,0.893505399,0.504541249,1.153948252,0.707110617,0.992665732,0.693379663,0.95740202,0.568086094,0.385140957,0.786336432,0.459203624,0.737070992,0.415754684,0.666299766
6657,C21 H30 N4 O5,Trp Ile Thr,440.2029,10.693022,0.881853407,0.772183964,0.768060524,0.861891654,0.783974817,0.669280777,0.885147033,0.344666627,0.318574666,0.375793879,0.341842116,0.361406812,0.297452108,0.375107567
6658,C21 H2 N2 O21,C21 H2 N2 O21 Esi+13.297044 :1,617.9152,13.297044,1.515015785,1.537836207,1.644338174,1.519236105,1.620768308,1.582731453,1.606013528,0.743305144,0.76784836,0.714025517,0.752090923,0.717751381,0.770994661,0.725452692
6659,C45 H85 O10 P,"PG(20:2(11Z,14Z)/19:0)",419.2829,8.637969,0.493243554,0.48108005,0.460915016,0.617089275,0.288740308,0.344110487,0.490237049,-0.29286299,-0.26012499,-0.331918851,-0.326303353,-0.269585459,-0.173232132,-0.369993412
6660,C25 H40 N2 O7 S,Lipoxin D4 Esi+10.077982,512.2593,10.077982,1.49112892,1.462527158,1.469904101,1.52262782,1.447997993,1.671678,1.408664475,2.088666196,2.013396473,2.178461654,2.131317251,1.997891102,2.331700265,1.931973177
6661,C50 H24 N3 O6 S3,C50 H24 N3 O6 S3,858.0826,12.542985,0.132643799,0.047000668,0.346130099,0.144958212,0.201280534,0.210218605,0.148697642,0.131096772,0.085602422,0.185370734,0.143584477,0.088339417,0.177944598,0.100892253
6662,C15 H24 N6 O6,Gln His Thr Esi+8.839,384.1772,8.839,0.739110611,0.726249291,0.534503401,0.53533103,0.715014314,0.582369315,0.736998862,-0.320567461,-0.32089022,-0.320182415,-0.304914902,-0.337673827,-0.270672887,-0.352736331
6663,C18 H24 N4 O4,Gly Val Trp,360.1758,5.866986,0.553324365,0.465295963,0.655923278,0.332741428,0.835550452,0.198957047,0.75468726,-0.336643057,-0.21367549,-0.483341208,-0.236358387,-0.497614014,-0.099691227,-0.489414631
6664,C45 H87 O12 P,PI(P-20:0/16:0) Esi+13.289005 :1,849.5841,13.289005,0.448072541,0.544748419,0.113045455,0.530924696,0.148718995,0.361524329,0.353791081,-0.146724351,-0.221328321,-0.057723123,-0.152451511,-0.152871104,-0.110400193,-0.170143873
6665,C21 H38 O3 S2,C21 H38 O3 S2,400.2443,9.806007,0.345560255,0.201959913,0.418316719,0.165942069,0.49760533,0.049094533,0.4810419,0.324010394,0.181776517,0.493692915,0.152437894,0.560491541,-0.031439419,0.553181984
6666,C46 H90 N O9 P,PS(P-20:0/20:0),831.6257,15.988024,0.579188386,0.576032757,0.4404283,0.552128727,0.551964906,0.534796175,0.566697479,-0.209865636,-0.246231985,-0.166481219,-0.187739829,-0.246118066,-0.206832001,-0.211821532
6667,C40 H70 N O8 P,"PE(20:4(5Z,8Z,11Z,14Z)/15:1(9Z)) Esi+13.443033",745.4664,13.443033,0.798027318,0.674821151,0.927459654,0.852895722,0.723403587,0.635962627,0.915968948,1.262533057,0.977753646,1.602269898,1.309747068,1.184261031,0.983210252,1.44262276
6668,C32 H60 N O10 P,PS(14:1(9Z)/12:0) Esi+9.489992,666.4131,9.489992,0.538837255,0.70133008,0.219399965,0.718077289,0.213504086,0.959456817,0.227254402,0.402521933,0.626722295,0.135054834,0.575723655,0.12818009,0.795677011,0.149040369
6669,C21 H39 N O4,N-Oleoyl-L-Serine Esi+7.7419753,391.2668,7.7419753,0.99368275,0.94775169,1.089316728,1.130239575,0.801253539,0.959994313,0.983423102,-0.522963963,-0.447106987,-0.613460005,-0.563298055,-0.486233687,-0.439559356,-0.576737986
6670,C43 H81 O10 P,"PG(20:2(11Z,14Z)/17:0)",787.5443,15.160959,1.487921029,1.557819857,1.15978477,1.609326665,1.162396614,1.406377369,1.42706017,-1.022914484,-1.227458571,-0.778896977,-1.030692311,-0.99878783,-1.049514378,-1.005764552
6671,C52 H90 O12 S2,C52 H90 O12 S2,970.6129,14.301021,0.262558503,0.308151464,0.021161899,0.26521152,0.151594484,0.05252491,0.306358478,-0.072935762,-0.115335475,-0.022353649,-0.020818212,-0.169016735,0.061226083,-0.159434847
6672,C31 H59 O12 P,PI(22:1(11Z)/0:0) Esi+13.173023,654.3783,13.173023,2.115831378,1.883511394,2.350760083,2.104661892,2.217887005,1.953984037,2.256154426,1.348098899,1.226766847,1.492845908,1.319261548,1.391122051,1.190482528,1.44971998
6673,C25 H38 O7,Laserpitin Esi+12.311018,450.2595,12.311018,1.6210959,1.503945296,1.426054124,1.605397396,1.284772897,1.43774723,1.515376761,1.890632227,1.909898319,1.867648117,2.064166346,1.652900202,1.906170108,1.880614383
6674,C17 H30 N4 O9 P S4,C17 H30 N4 O9 P S4,593.0629,13.542984,1.771489551,1.777991163,1.924368286,1.810096857,1.879422383,1.912991142,1.81713886,0.925095156,0.955312503,0.889046391,0.929789899,0.902134359,0.980900793,0.889115206
6675,C29 H48 N S2,C29 H48 N S2,474.3215,12.349032,0.007254568,0.320206792,0.465074052,0.043355965,0.073740513,0.130671075,0.126417852,-0.032772948,-0.1726914,0.13414731,-0.063918866,0.026682266,-0.063139555,-0.013194477
6676,C21 H40 N7,C21 H40 N7,390.3336,14.846976,0.02182716,0.050189166,0.141312292,0.076881175,0.023630516,0.141756939,0.00991994,0.029538627,0.015894702,0.045815591,0.020516707,0.033693582,0.071621652,0.002406151
6677,C16 H16 N O24 P S,C16 H16 N O24 P S,668.9511,9.95603,1.187733498,1.311918352,1.021851365,1.137817313,1.110076022,1.107409981,1.186251659,-0.795983876,-0.930779556,-0.635174995,-0.766163401,-0.839180115,-0.758748962,-0.819990597
6678,C10 H30 Cl2 N9 O2 P S5,C10 H30 Cl2 N9 O2 P S5,569.0454,12.94997,1.798726527,1.828480125,1.86948455,1.884579713,1.846857141,1.95638505,1.799582455,0.862740629,0.908388257,0.80828381,0.880171719,0.823229067,0.911007839,0.831620981
6679,C46 H92 N16 O2 P S,C46 H92 N16 O2 P S,963.7041,15.879953,0.250485735,0.207296681,0.245787876,0.269404541,0.233236816,0.151098952,0.320720204,-0.042340059,-0.039903928,-0.04524632,-0.019130897,-0.080288146,0.005382439,-0.073108511
6680,C7 H19 Cl N7 O,C7 H19 Cl N7 O,252.1344,7.614012,1.89887299,1.9354998,1.804048279,1.892435353,1.878295167,1.830246611,1.945890536,1.827090678,1.854462998,1.794435981,1.732123952,1.92034947,1.814536858,1.835184589
6681,C30 H50 N18,C30 H50 N18,660.4295,16.06299,0.56694533,0.575177047,0.43143084,0.631994039,0.389247612,0.607790739,0.480377815,0.610291742,0.633478848,0.58262993,0.696323404,0.450958585,0.704423899,0.549601272
6682,C37 H58 O10,cimicifoetiside A Esi+12.645997,679.4316,12.645997,1.167818617,1.177188674,1.187215309,1.226656403,1.062504404,1.225250947,1.156062272,0.731888073,0.790948475,0.66143005,0.76027631,0.673930558,0.768931198,0.708005006
6683,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+12.272969",414.2246,12.272969,2.304444749,2.097338859,2.542682594,2.278373463,2.434529289,2.189046506,2.405084015,3.131084405,2.777631825,3.552747131,2.944241145,3.39121777,2.894116199,3.283866538
6684,C19 H31 N O4,C19 H31 N O4 Esi+8.401,337.2245,8.401,0.005175974,0.156727105,0.269155087,0.199562636,0.124893719,0.094867653,0.081508147,0.054251309,-0.008085982,0.128618603,0.200714838,-0.155424617,0.016865492,0.078355322
6685,C11 H26 Cl N O10 P S3,C11 H26 Cl N O10 P S3,494.0158,13.281005,0.345664003,0.17556825,0.691575475,0.292844044,0.518158897,0.389364404,0.405655119,0.147578331,0.098755883,0.205822654,0.13949756,0.150496244,0.158781811,0.140355034
6686,C23 H28 O5,"(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide",406.1759,12.636978,0.577088115,0.498146264,0.518392368,0.395818092,0.679876683,0.638667691,0.402197881,-0.156760966,-0.141134591,-0.175402957,-0.088250646,-0.253803304,-0.200463955,-0.128584039
6687,C18 H O20 S2,C18 H O20 S2,600.8497,6.925013,1.522884972,1.426379232,1.540680629,1.346389078,1.687967523,1.391871231,1.529367806,0.995947564,0.875156631,1.140049028,0.839550533,1.200969639,0.830337112,1.102722724
6688,C25 H40 N20 O,C25 H40 N20 O,636.3685,8.696019,0.100470715,0.248134896,0.08835462,0.200811696,0.042162032,0.157961366,0.096166061,-0.037744789,0.192942467,-0.312950637,0.129184212,-0.297700052,0.10169648,-0.127647712
6689,C48 H71 N5 O2 S,C48 H71 N5 O2 S,781.5321,14.263973,0.017299246,0.023427927,0.101665605,0.02038328,0.151923113,0.02883377,0.128132659,-0.034437354,0.127329439,-0.227422301,-0.110504135,0.027956073,-0.08034788,-0.004837147
6690,C38 H50 O6,Guttiferone A Esi+6.7979836,624.3315,6.7979836,0.150686284,0.203932688,0.001416994,0.152606924,0.012288457,0.252144166,0.027815584,0.047655961,0.096586161,-0.010716908,0.064356921,0.009767287,0.130165379,-0.0055409
6691,C28 H39 N5 P,C28 H39 N5 P,476.293,8.76798,0.458963069,0.718403305,0.129564397,0.731231716,0.008626899,0.828863091,0.214264418,0.206752838,0.375718983,0.005179191,0.356025798,-0.023883989,0.398055398,0.083413029
6692,C24 H35 N7,NSC 23766 Esi+6.2349877,443.2723,6.2349877,1.17966457,1.043205719,1.402926977,1.267105116,1.129086168,1.056665726,1.249941813,-0.79718127,-0.640688872,-0.983873955,-0.760055405,-0.859058166,-0.649367833,-0.892482038
6693,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione Esi+5.142006",140.0834,5.142006,0.761288282,0.89086903,0.396214353,0.961828353,0.420462709,0.878850648,0.57469164,-0.462208765,-0.557259504,-0.348814902,-0.497447466,-0.419973897,-0.516344217,-0.427305646
6694,<none>,<none> Esi+12.929991,460.8297,12.929991,0.292267212,0.201932479,0.460484207,0.153595247,0.488937942,0.363767669,0.32759118,0.11051418,0.088839225,0.13637202,0.093962869,0.12109025,0.154606602,0.08208617
6695,<none>,<none> Esi+13.694022,718.5105,13.694022,0.304796992,0.439423605,0.01246039,0.359515154,0.1700522,0.267888015,0.261336856,-0.075565821,-0.129335815,-0.01141916,-0.049362091,-0.111182446,-0.039515308,-0.098808914
6696,C12 H22 S2,Dicyclohexyl disulfide Esi+5.3249955,230.1155,5.3249955,0.331675578,0.102078139,0.626163726,0.157510257,0.339244914,0.071141683,0.447915971,0.236379697,0.05151111,0.456924679,0.2026001,0.258404287,0.073473549,0.341411293
6697,C21 H42 N6 O9,C21 H42 N6 O9 Esi+6.4040155,522.3012,6.4040155,0.471991507,0.689942757,0.056326045,0.473567847,0.255808151,0.680475955,0.234908948,0.165932522,0.314763394,-0.011620098,0.209453337,0.084368857,0.327434215,0.06180643
6698,C35 H46 O4,(-)-Neolinderatin Esi+12.797038,530.3447,12.797038,0.105513706,0.130366388,0.076711145,0.207536684,0.024027219,0.071905031,0.141417324,0.093830803,0.099808376,0.086699664,0.020116285,0.152128696,-0.047355828,0.184859026
6699,C15 H29 N O3,C15 H29 N O3,271.2145,9.654027,0.287997321,0.557219367,0.203508495,0.24471801,0.282256464,0.173679897,0.259744181,-0.080901763,-0.229430661,0.096290606,-0.048517814,-0.137412078,-0.047408017,-0.102496415
6700,C16 H26 Cl N5 O9 P S2,C16 H26 Cl N5 O9 P S2,562.0615,13.677982,0.328664942,0.170511234,0.692465649,0.349109677,0.440661081,0.439703819,0.345244008,0.153009845,0.093756519,0.223698024,0.155701038,0.136343977,0.175868733,0.138271878
6701,C35 H68 N13 O2 P S,C35 H68 N13 O2 P S,765.5075,7.737028,0.295501214,0.173342605,0.535585521,0.411177193,0.205688858,0.067220097,0.433925557,-0.165610882,-0.059458279,-0.292249074,-0.165061639,-0.189426149,-0.011348498,-0.265069524
6702,C20 H42 N O7 P,PE(15:0/0:0),456.2957,13.059016,0.557940953,0.692801817,0.223174825,0.444351306,0.528775831,0.505597443,0.514024996,-0.250795603,-0.365077796,-0.114458951,-0.200537304,-0.313700315,-0.213624844,-0.27476096
6703,C44 H72 O11,Oligomycin D Esi+13.544993,775.5086,13.544993,0.870037442,0.846392723,0.861996976,1.002068567,0.705671388,0.818554483,0.902455487,0.979296021,0.912772494,1.058657421,1.114375946,0.774146821,0.918139202,1.018726075
6704,C22 H28 F2 O5,Diflorasone Esi+9.525003,410.1921,9.525003,0.381046223,0.384758989,0.293643132,0.333702537,0.37742786,0.142172725,0.433755172,-0.296023303,-0.38403345,-0.191028742,-0.209713843,-0.419781443,-0.101348758,-0.421537155
6705,C22 H36 N7 O2,C22 H36 N7 O2,430.2942,13.842023,1.71284053,1.559593908,1.927778801,1.722326798,1.799770798,1.57992731,1.852649621,1.605732401,1.429079096,1.816476694,1.520624286,1.713395637,1.409738081,1.73209716
6706,C21 H47 N O6 P,PC(O-12:0/O-1:0)[U] Esi+13.665024,457.3371,13.665024,0.970784893,0.933702085,0.611739895,0.831948694,0.818893356,0.949312477,0.757968201,-0.363763577,-0.431506863,-0.282947026,-0.347437028,-0.372379439,-0.423625422,-0.32516844
6707,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+14.872011",333.3027,14.872011,1.899011367,1.914480443,1.806783464,1.749651967,1.990094542,1.799619302,1.946266084,-1.513746687,-1.60555905,-1.404216149,-1.458201906,-1.583976002,-1.504173193,-1.519919071
6708,C30 H58 N3 O3 S2,C30 H58 N3 O3 S2,572.3856,13.760988,1.101269703,1.096541733,1.098713322,1.0346797,1.239184768,1.045145314,1.160559676,-0.692705767,-0.797126333,-0.568133863,-0.648485694,-0.78046849,-0.648946126,-0.72091922
6709,C8 H14 N2 O6,Threoninyl-Aspartate,234.088,5.737016,0.015665258,0.07089489,0.160446567,0.045236231,0.052320446,0.197629781,0.08239984,0.01179474,-0.107862893,0.154544198,0.109812561,-0.160869825,0.181256711,-0.097463635
6710,C29 H64 Cl N17 O4,C29 H64 Cl N17 O4,749.5043,14.003977,1.312069955,1.149577789,1.234702167,1.097664494,1.24133155,0.965051353,1.378763769,1.613860834,1.592845015,1.638932338,1.56516353,1.691593638,1.455689206,1.71583991
6711,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+5.2259974",172.1103,5.2259974,0.884830212,0.850578693,0.888051093,1.06875303,0.82454518,0.829876494,0.885907008,-0.464150802,-0.448905401,-0.482338297,-0.424431068,-0.503249136,-0.367896274,-0.526209642
6712,C38 H71 N16 O3 P,C38 H71 N16 O3 P Esi+13.366962,830.5537,13.366962,0.494232959,0.369082312,0.657582351,0.435772537,0.596479982,0.517564242,0.491167449,0.285159208,0.255604542,0.320417407,0.303795015,0.245864935,0.333811013,0.253791597
6713,C18 H26 O7,Propofol glucuronide Esi+8.272981,354.1651,8.272981,1.023684722,0.912368793,1.299129143,0.879175434,1.291551534,1.164684359,1.034123908,1.154288321,1.096041162,1.22377616,1.086089957,1.228397999,1.285360861,1.069781025
6714,C14 H22 N6 O3,C14 H22 N6 O3,322.1752,8.984988,0.165578632,0.424502923,0.131784162,0.340317068,0.091809228,0.285844235,0.172605237,-0.073462244,-0.205197172,0.083695214,-0.127466952,-0.00459314,-0.101126879,-0.055625834
6715,C43 H83 N4 O7 S2,C43 H83 N4 O7 S2,831.5593,14.31496,0.268732122,0.313270715,0.093629343,0.271766582,0.135581751,0.226883177,0.179695728,-0.123448209,-0.195126069,-0.03793778,-0.068455507,-0.214689689,-0.098222356,-0.139712246
6716,C29 H48 O2,C29 H48 O2,426.3708,16.362045,1.241926545,1.286143682,1.266169103,1.428248652,1.051629366,1.422710198,1.151038791,-1.119646576,-1.179452264,-1.04829944,-1.330953032,-0.858611222,-1.392573486,-0.943680543
6717,C27 H49 N O4,C27 H49 N O4 Esi+12.933029,451.3257,12.933029,0.473601114,0.18203926,0.865139747,0.410100146,0.599070302,0.398218975,0.570744315,0.313375447,0.131445685,0.530414461,0.244529825,0.428128826,0.185307854,0.395945342
6718,C24 H44 O6,Glyceryl lactooleate Esi+14.399968,428.3126,14.399968,0.385695504,0.425205797,0.272731497,0.368135748,0.450390052,0.002631203,0.567376756,-0.113745093,-0.129417318,-0.095048403,-0.054837327,-0.212276982,0.056051783,-0.223219395
6719,C30 H3 N O15 P,C30 H3 N O15 P,647.9248,11.413988,0.116938035,0.169390764,0.189272213,0.249549514,0.100816916,0.446511423,0.001260615,0.186250529,0.237554962,0.12504524,0.310993325,-0.018519209,0.436844641,0.024683272
6720,C24 H51 O8 P,PG(O-18:0/0:0) Esi+8.805017 :1,515.3549,8.805017,0.556235155,0.527297982,0.586702328,0.786760889,0.286522171,0.456700109,0.566966033,-0.32444736,-0.296591138,-0.357679345,-0.390690257,-0.25812513,-0.247072531,-0.374333763
6721,C41 H80 N16 O12,C41 H80 N16 O12 Esi+9.201013,988.6143,9.201013,0.326623086,0.490802697,0.139873808,0.320144176,0.264798438,0.66571781,0.126864432,0.181061658,0.282809647,0.059678091,0.23642349,0.08006287,0.389246333,0.046837328
6722,C14 H27 N O4,C14 H27 N O4 Esi+6.3199863,273.1945,6.3199863,0.788658658,0.687066242,0.775157695,0.65882956,0.915667503,0.446824777,0.958732428,0.648899004,0.639335969,0.660307536,0.635903225,0.674549153,0.415634034,0.799293523
6723,C10 H15 N5 O3,Penciclovir,253.1172,0.8410022,0.623176979,0.860376473,0.253741308,0.493661346,0.67314495,0.578931358,0.587328024,-0.385520638,-0.626966274,-0.097480229,-0.320433901,-0.466124104,-0.46083187,-0.336964712
6724,C27 H40 O3,"(22E)-(24S)-1?,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-(24S)-1?,24-dihydroxy-26,27-cyclo-22,23-didehydrocholecalciferol / Calcipotriol",412.2963,13.889976,1.298128478,1.334956918,1.110045331,1.415892743,1.108761305,1.298603418,1.226897726,-0.741652671,-0.808134314,-0.662341237,-0.772025634,-0.695759133,-0.768809475,-0.724143679
6725,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+10.940996",528.3326,10.940996,1.514509456,1.449962659,1.613667966,1.509476587,1.538999046,1.585780518,1.534695875,1.484400799,1.390665614,1.596225229,1.484596091,1.457516072,1.549298467,1.442558881
6726,C31 H38 O7,Exiguaflavanone D Esi+7.225985,522.2683,7.225985,0.782675604,0.637030816,0.909628564,0.584502061,0.942921235,0.617386065,0.872588165,0.51082502,0.460853723,0.570439901,0.47145298,0.552024082,0.460549634,0.543239414
6727,C29 H44 O8,"24,25-Diacetylvulgaroside",520.3021,14.397965,0.67302128,0.512056226,0.773358126,0.579230182,0.647993817,0.684839577,0.629891573,0.569555535,0.511546598,0.63875918,0.570010629,0.564135936,0.631979335,0.529308612
6728,C18 H36 N6 O5,Istamycin B3 Esi+13.083987,416.277,13.083987,2.116834285,1.882179945,2.370597557,2.030990586,2.237599409,1.917294653,2.224716628,2.645628068,2.358556,2.988100008,2.475251131,2.903744093,2.391287507,2.809610798
6729,C27 H39 N O2,Veratramine,409.3038,10.71101,1.013756898,0.78150073,1.267547988,0.951114,1.106158262,0.901622957,1.08473969,-0.729278159,-0.58399037,-0.902603943,-0.593319206,-0.947047683,-0.56231763,-0.836923763
6730,C9 H12 O4,"(?)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Esi+3.6849978",184.0735,3.6849978,0.008097606,0.263667451,0.257293604,0.125093,0.106080707,0.008623021,0.090076609,-0.001146719,-0.305130351,0.361500421,-0.040089805,0.108959595,-0.063828604,0.039266602
6731,C53 H81 N5 O7 P S,C53 H81 N5 O7 P S,962.5593,14.407975,0.342733085,0.274128957,0.386209077,0.347716282,0.216343437,0.430645529,0.259153633,0.212241299,0.18416166,0.245739814,0.267452187,0.120558816,0.274148419,0.172327497
6732,C41 H76 N O8 P,"PE(18:2(9Z,12Z)/18:1(11Z))",763.509,11.020997,0.616914205,0.583029937,0.398809974,0.542628849,0.581557381,0.315578896,0.708498689,-0.313225596,-0.3573568,-0.260577844,-0.29553188,-0.369218255,-0.1891211,-0.393240336
6733,C23 H20 N10 O,C23 H20 N10 O,452.1861,8.472017,0.14593937,0.390439345,0.185213308,0.172699164,0.045769439,0.707380307,0.254892839,-0.027592233,-0.077111424,0.031483292,-0.099998004,0.067337502,-0.23105641,0.103588618
6734,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+8.366974",382.1602,8.366974,0.623524841,0.535249818,0.63019751,0.646615602,0.4711409,0.35366459,0.662940539,-0.651105166,-0.592536949,-0.720976022,-0.629922641,-0.67297916,-0.407342852,-0.808267712
6735,C9 H7 N O,4-formyl Indole,145.0525,3.7940054,1.1099551,1.060386907,0.933387651,1.035952382,0.952014726,1.083130085,0.987694069,0.426688073,0.43010848,0.422607588,0.408395125,0.463805581,0.44244119,0.416531458
6736,C26 H52 N6 O9,C26 H52 N6 O9 Esi+10.154029,592.3787,10.154029,0.548853576,0.551102214,0.623310842,0.601769488,0.428053046,0.719904231,0.461637349,0.425028035,0.483677488,0.355060267,0.508666093,0.27232345,0.60163089,0.311165668
6737,C22 H37 N O,"N,N-dimethyl arachidonoyl amine",348.3137,12.657975,0.284095834,0.406376552,0.051994241,0.128208032,0.31762836,0.590744157,0.030542119,-0.054098311,-0.124952504,0.030429498,-0.025404485,-0.09229247,-0.207456459,0.044777337
6738,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate),440.1448,8.305022,0.840028483,0.96881605,0.671911483,0.957008834,0.507105085,1.051799307,0.657166481,-0.374371778,-0.496550283,-0.228614964,-0.540015271,-0.145925027,-0.589015699,-0.235982933
6739,C23 H34 O5,Tussilagone,412.2226,11.2590065,2.491692009,2.440056412,2.731982485,2.519651526,2.714529309,2.457491581,2.660262569,2.786673699,2.506103874,3.121388578,2.54397639,3.106072783,2.538838512,2.946462175
6740,C27 H47 N3 O2,C27 H47 N3 O2,445.3667,15.876969,0.159758706,0.23725085,0.0511193,0.295113722,0.025487804,0.319445813,0.03983013,0.067654481,0.024042966,0.119682253,0.047416252,0.104570028,0.012678516,0.103099511
6741,C36 H60 N4 O5 S,Carbaprostacyclin-biotin Esi+7.604987 :1,682.411,7.604987,0.57627255,0.791363964,0.171036978,0.526933987,0.404481523,0.762356212,0.359986581,0.212802716,0.355309524,0.042794595,0.247858213,0.14218451,0.363272178,0.115789511
6742,C23 H28 O2 P,C23 H28 O2 P,366.254,8.770014,0.811217474,0.767790371,0.93960341,0.712890987,0.739805943,0.857574134,0.717415844,-0.652987944,-0.558725292,-0.765441635,-0.595720195,-0.724995928,-0.607706315,-0.682182679
6743,C11 H18 N2 O7,N-Succinyl-L-diaminopimelic acid Esi+7.1209803,290.1108,7.1209803,0.808510202,0.744698416,0.853573091,0.806755161,0.704973327,0.815819028,0.742138915,0.467435145,0.471111273,0.463049588,0.506313272,0.395248052,0.516103144,0.436057093
6744,C23 H38 O8,C23 H38 O8 Esi+10.961007,442.2562,10.961007,0.836876386,0.545742826,1.05093491,0.683435771,0.853289148,0.735054737,0.793115923,1.710648766,1.403338531,2.077264485,1.628100217,1.799316835,1.759964944,1.678852808
6745,C28 H48 N4 O3 S,Linoleic Acid-biotin,537.3769,14.144025,0.178698054,0.114577614,0.144081795,0.076436469,0.207723256,0.003764566,0.2367278,-0.240514206,-0.171425981,-0.322935245,-0.141230828,-0.400248483,-0.094107808,-0.334907804
6746,C28 H53 N O7 P,"PC(20:3(8Z,11Z,14Z)/0:0) Esi+12.790023",545.3545,12.790023,0.361941634,0.375434552,0.376386053,0.331875059,0.405713418,0.359204566,0.434524993,0.306449505,0.311745726,0.300131205,0.329114565,0.257445434,0.319547441,0.298004782
6747,C8 H16 N4 O4,L-Acetopine,254.1014,3.1939917,0.281254252,0.021575908,0.691368285,0.150480337,0.474037097,0.087661117,0.466982978,-0.369108475,0.029026748,-0.844076811,-0.128618071,-0.634483835,-0.043967599,-0.578738776
6748,C14 H20 O5,Kamahine C Esi+6.026987,290.1128,6.026987,0.218496578,0.085773247,0.274304499,0.037782353,0.360741013,0.066313079,0.213052486,-0.086530283,-0.055519615,-0.123525467,0.009031022,-0.212822579,-0.001106163,-0.141606361
6749,C31 H52 O12,Goshonoside F6,633.3723,12.061017,0.71963805,0.697149772,0.552898687,0.713231154,0.5815331,0.567435606,0.670870088,-0.499998684,-0.631242312,-0.343427338,-0.465391576,-0.562040079,-0.389202684,-0.571432947
6750,C9 H18 N2 O2,3-[(3-Methylbutyl)nitrosoamino]-2-butanone Esi+3.5269918,186.1367,3.5269918,0.31849545,0.035402862,0.77250948,0.161043996,0.476858565,0.007479199,0.592016144,0.139344609,-0.001737992,0.307653678,0.111452082,0.203029925,0.036837541,0.205434693
6751,C22 H27 F3 O4 S,Fluticasone Esi+9.93701,466.1394,9.93701,0.664622495,0.706100168,0.572773968,0.680728907,0.669889667,0.737795061,0.553827065,-0.335487824,-0.355157422,-0.312022339,-0.36401506,-0.32664088,-0.40455609,-0.290956969
6752,C23 H38 O6,Sterol 3-beta-D-glucoside Esi+11.98704,388.2852,11.98704,2.199105448,1.998761101,2.473463767,2.259255707,2.292690285,2.087801722,2.301139784,3.052046298,2.737391387,3.427424088,2.946343473,3.174301351,2.851824614,3.181136595
6753,C16 H22 N6 O4,C16 H22 N6 O4,362.1708,9.333986,0.106469942,0.302498711,0.12410964,0.239474466,0.036571433,0.18173586,0.120584361,-0.096172964,-0.197625089,0.024857642,-0.130011106,-0.056656908,-0.15550597,-0.057918788
6754,C55 H74 Mg N4 O6,Bacterio-chlorophyll a,910.5452,14.893008,1.608178329,1.621996571,1.602954026,1.617680462,1.597321473,1.712408446,1.554360375,1.492702923,1.518831305,1.461532222,1.531319526,1.440131978,1.635961385,1.400338914
6755,C34 H55 N O3,ICI 164384 Esi+14.173029,525.4226,14.173029,0.414377004,0.523061294,0.226618634,0.250751843,0.51859252,0.371161929,0.393073899,-0.336470609,-0.379755726,-0.284832223,-0.322166463,-0.357889317,-0.357947146,-0.322623894
6756,C41 H72 N O10 P,"PS(13:0/22:4(7Z,10Z,13Z,16Z)) Esi+9.11 :1",768.4835,9.11,0.49792007,0.676773313,0.245476531,0.498363449,0.363496423,0.765531168,0.326413084,0.228802963,0.344040593,0.091326492,0.281335537,0.131876638,0.398749735,0.119232018
6757,C16 H24 O5,"3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide Esi+8.68002",296.1604,8.68002,0.325023517,0.137243448,0.464323298,0.182061383,0.432898424,0.234220799,0.360178252,0.341560528,0.239213117,0.463659194,0.236143144,0.465308366,0.268940843,0.388381115
6758,C18 H39 N,1-Octadecanamine Esi+12.960997,269.308,12.960997,0.930613625,0.915113966,0.827446541,0.860613829,0.941205717,0.736649647,1.022864023,0.674683063,0.673058659,0.676620949,0.654383592,0.707411549,0.540407442,0.761255503
6759,C19 H O24,C19 H O24,612.8863,9.17398,0.004006274,0.112768894,0.034047393,0.160393477,0.250935328,0.105452633,0.073752952,-0.074246111,-0.002949352,-0.159301895,-0.211970625,0.095443082,-0.163792631,-0.016512171
6760,C30 H41 N3 O2,C30 H41 N3 O2,475.3183,11.056974,0.288699914,0.251536524,0.42968222,0.175098125,0.432960541,0.297450384,0.369600144,0.16355288,0.165593718,0.161118197,0.15564638,0.146760576,0.198712324,0.140884291
6761,C10 H21 Cl N2 O12 P S2,C10 H21 Cl N2 O12 P S2,490.9961,12.916014,2.140285461,2.137647189,2.226737995,2.15462462,2.263338356,2.22432567,2.170460071,1.000931604,1.026914451,0.969934522,0.99668723,0.995419615,1.025794424,0.984901627
6762,C29 H63 N25 O5,C29 H63 N25 O5,841.5445,11.204985,1.131913668,1.060855823,1.023689999,1.149351776,0.968730291,1.015658755,1.099696951,0.919871513,0.943384915,0.891820437,0.978748636,0.798801247,0.937160614,0.908724593
6763,C30 H46 O4,Secobryononic acid Esi+15.123031,470.3377,15.123031,0.320906378,0.444275655,0.02282125,0.193364111,0.354426375,0.099091199,0.330953939,-0.081649268,-0.155953479,0.006994353,-0.055897376,-0.120200507,-0.04696575,-0.104011009
6764,C18 H39 N11 O2,C18 H39 N11 O2,441.3294,8.375984,1.449897272,1.604119479,1.368449629,1.350151304,1.631694164,1.499605842,1.471099457,-0.703348807,-0.70976367,-0.695695988,-0.753409607,-0.637480828,-0.690578367,-0.71158238
6765,C12 H20 N4 O3 S,Desmethylranitidine Esi+4.8859897,300.1231,4.8859897,0.645906654,0.338669985,1.007488317,0.561583697,0.801283764,0.369528512,0.665197099,-0.454972508,-0.156184373,-0.811421513,-0.27733498,-0.710485581,-0.151563735,-0.650591323
6766,C36 H68 N16 O3 P,C36 H68 N16 O3 P Esi+13.930979,801.5239,13.930979,0.175607597,0.05910909,0.59191284,0.265923864,0.120401338,0.213987806,0.191386435,0.206011533,0.022551006,0.424876723,0.267525449,0.110154301,0.186143484,0.218821197
6767,C17 H30 O7,"(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid",368.1812,9.349005,1.172860072,1.12949821,1.206459494,1.166780794,1.146816608,1.280860893,1.132462758,0.753079679,0.754540982,0.75133637,0.762032418,0.726989085,0.844070221,0.694414724
6768,C22 H43 O9 P,PG(16:1(9Z)/0:0),482.2679,14.020997,0.563022301,0.31133116,0.773321651,0.584795509,0.408581749,0.605885629,0.471275327,0.662864098,0.465050839,0.898851846,0.744953047,0.548671119,0.728404183,0.620607991
6769,C31 H26 O15,Scutellarein 7-glucuronide-6-ferulate,660.1158,12.376974,0.888832272,0.85415884,0.757093167,0.949436354,0.639987818,0.743668619,0.875058404,-0.426763148,-0.458600272,-0.388782019,-0.413277802,-0.464327382,-0.315498594,-0.498499506
6770,C33 H44 O2,Reticulataxanthin Esi+14.476021,472.3298,14.476021,0.794249606,1.044620324,0.287134417,0.858383829,0.651255752,0.745551238,0.700078504,-0.445408382,-0.684731546,-0.159900047,-0.420172663,-0.433441133,-0.425603914,-0.458177053
6771,<none>,<none> Esi+3.9249916,114.0873,3.9249916,0.644442577,0.640102873,0.629764829,0.74850612,0.560650908,0.552371254,0.68232092,0.366719763,0.382707983,0.347646096,0.363821081,0.397557645,0.310385535,0.403040515
6772,C19 H31 N O,17a-Aza-D-homoandrost-5-en-3beta-ol Esi+12.481994,311.2222,12.481994,0.783558699,0.617768954,0.966646395,0.973630424,0.640942845,0.718997801,0.79293892,0.339421795,0.27456366,0.416796411,0.384469999,0.288350298,0.312857052,0.356549063
6773,C10 H12 O5,3-Hydroxy-4-methoxyphenyllactic acid Esi+4.1740074,212.0659,4.1740074,0.826583068,0.614554445,0.94349242,0.697318711,0.823843687,0.952785614,0.688815524,0.69442203,0.628262101,0.773349664,0.692424856,0.686509947,0.911071722,0.554739991
6774,C21 H38 N,Benzalkonium,303.2921,13.247011,0.993855608,1.189310139,0.553526501,0.990974808,0.833857033,1.152552119,0.790767646,-0.642505765,-0.761427461,-0.500634268,-0.636772798,-0.634116427,-0.752162539,-0.571806003
6775,C39 H60 N4 O P,C39 H60 N4 O P,631.4483,10.124018,0.054342753,0.039340596,0.114792111,0.025336053,0.032546422,0.122345989,0.046226206,0.015903876,0.019900619,0.011135832,0.003947825,0.004870578,0.0764581,-0.023137663
6776,C28 H55 Cl N11 O P,C28 H55 Cl N11 O P,627.4086,10.938983,0.401498004,0.290890554,0.515465629,0.460966615,0.305085318,0.61752901,0.276713729,0.1992053,0.191654085,0.208213767,0.248080222,0.099477538,0.303934609,0.131682456
6777,C31 O13 P,C31 O13 P,610.9075,12.891037,1.452431698,1.482603154,1.270283499,1.33415264,1.426275836,1.220458535,1.534127824,1.275784671,1.388377226,1.141463728,1.232053718,1.316853476,1.186643393,1.333257336
6778,C14 H28 N6 O4 S,Arg Val Cys Esi+10.875,398.1758,10.875,2.163251429,2.01669972,2.468001412,2.083118822,2.414112951,2.049806695,2.320757727,2.753262836,2.428747124,3.140404388,2.560542482,3.04661311,2.518040495,2.904919346
6779,C18 H31 Cl N10 O6 S4,C18 H31 Cl N10 O6 S4,646.1004,11.21101,0.857793276,0.805165031,0.70900018,0.92721861,0.63421725,0.546101027,0.917277503,-0.404562884,-0.400575249,-0.409320062,-0.402335266,-0.432893848,-0.24291571,-0.508782772
6780,C30 H44 O8,Ganoderic acid eta,532.3015,14.333986,0.986949232,0.776448841,1.190543024,0.984988401,0.912464129,1.102860045,0.900961975,0.725225552,0.656408534,0.807323048,0.76498309,0.669827252,0.814760112,0.667499323
6781,C16 H28 O4,(10S)-Juvenile hormone III diol Esi+8.331019,284.1964,8.331019,0.690206739,0.449240884,0.994672707,0.473499338,1.060967807,0.166697358,0.995883178,0.399024935,0.238528908,0.590493881,0.226109115,0.666567487,0.093621943,0.595929496
6782,C19 H16 O5,5-Hydroxywarfarin Esi+10.673004,323.0923,10.673004,0.201805075,0.086426781,0.411564867,0.087986885,0.293911022,0.155732343,0.284552906,0.390591234,0.268340891,0.536433747,0.42891791,0.340791078,0.385670293,0.393763945
6783,C24 H53 N14 O S,C24 H53 N14 O S,583.4293,14.25197,0.224676217,0.288525071,0.042041377,0.343652585,0.113544625,0.118874931,0.233405007,-0.116330914,-0.198319152,-0.018520385,-0.164929769,-0.060422887,-0.075927552,-0.14238045
6784,C24 H30 O7,Melleolide H Esi+8.836022,430.2038,8.836022,0.224983444,0.073651637,0.621104474,0.169192452,0.45523877,0.148723501,0.606913976,0.154166614,0.121709633,0.192887223,0.12246061,0.186600799,0.044314736,0.224992167
6785,C37 H64 O13,Evasterioside E Esi+13.052001,715.432,13.052001,0.025084928,0.286472719,0.585338008,0.171537954,0.050256476,0.168343678,0.259654844,0.02451812,-0.080162516,0.149400283,0.05226551,-0.007290289,-0.077496866,0.090290941
6786,C29 H64 N23 O4,C29 H64 N23 O4,798.5492,13.083007,0.521497575,0.609298993,0.216400774,0.612811404,0.255710028,0.452528938,0.400371646,-0.181679697,-0.244630127,-0.106580939,-0.172146609,-0.211878022,-0.144789989,-0.205463851
6787,C42 H88 N18 O4,C42 H88 N18 O4,908.7223,15.104984,0.333662297,0.485406921,0.010198547,0.290650143,0.302770015,0.414314556,0.247557224,-0.199371686,-0.252073714,-0.136499092,-0.211265675,-0.196596172,-0.25160153,-0.165697182
6788,C17 H24 N7 O3,C17 H24 N7 O3,374.1939,8.8990135,0.215848362,0.12263296,0.31577937,0.184857344,0.32462527,0.096379667,0.346780952,-0.199671589,-0.110545309,-0.305997677,-0.075453476,-0.397250866,0.097223126,-0.39109055
6789,C41 H79 N27 O,C41 H79 N27 O,965.6955,14.212962,1.434644825,1.521092863,1.100123343,1.610427864,0.989847263,1.494855787,1.27638374,-0.844022194,-1.036509764,-0.614387899,-0.961562458,-0.696522075,-0.919165097,-0.795574795
6790,C27 H44 N2 O3,N-Nitrosotomatidine,444.3324,11.735023,0.997113911,1.101951446,0.577438377,0.879351845,1.052917566,0.933084109,1.002502853,-0.478964491,-0.615285316,-0.316336137,-0.44244335,-0.548716672,-0.469188073,-0.485267707
6791,C34 H50 O6,"(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate",554.3565,14.397966,0.078476991,0.038137444,0.005055461,0.204104422,0.327420246,0.248396591,0.145854287,0.001244236,-0.024478723,0.031931274,0.079558467,-0.128157844,0.078856385,-0.048795176
6792,C6 H12 N2 O5,Ser Ser,209.1051,5.163001,0.006918034,0.201590686,0.284783692,0.253745981,0.314764625,0.145753022,0.049632015,0.0466857,-0.117928311,0.243067327,-0.096549863,0.238607766,0.178529921,-0.038319127
6793,C44 H68 N13 O10,C44 H68 N13 O10,938.5211,13.883038,0.15817626,0.051248232,0.314566917,0.133581846,0.129498048,0.183145981,0.128809475,0.264122989,0.167482055,0.379413928,0.335129775,0.133152096,0.31723297,0.229881028
6794,C32 H52 N3 O9,C32 H52 N3 O9,622.3733,14.194022,0.309217447,0.11251749,0.638480101,0.365853288,0.196282729,0.400244903,0.323437591,0.274532669,0.168469485,0.401064186,0.322885046,0.163702982,0.322423102,0.243655942
6795,C43 H65 N O5,Acidissiminin epoxide,675.4882,13.979003,0.020338598,0.190908629,0.241429439,0.046189225,0.075510895,0.201400487,0.198030165,0.053466994,-0.053004878,0.180486069,0.052256001,0.040623026,-0.060244665,0.126781089
6796,C30 H42 N4 O4,N-depyridomethyl-Indinavir,522.3146,13.141036,0.631836244,0.453128642,0.738441567,0.702838861,0.459760211,0.441389589,0.682424902,-0.886160344,-0.652612139,-1.164779255,-0.976612679,-0.818858239,-0.662160405,-1.030581357
6797,C11 H24 O4,"1,2-Bis(1-ethoxyethoxy)propane",220.167,7.334993,0.251703184,0.003308839,0.55032862,0.080731355,0.476924592,0.103837161,0.328495581,-0.21805156,-0.056442174,-0.410848723,-0.097258376,-0.406419328,-0.133447721,-0.272598773
6798,C16 H24 N7 O3,C16 H24 N7 O3 Esi+6.235993,361.193,6.235993,0.224949011,0.056258427,0.392806942,0.172023203,0.362995999,0.199411111,0.270732909,0.173362939,-0.0014672,0.381932229,-0.008388133,0.415687161,-0.0342124,0.307194408
6799,C30 H42 O8,Ganoderic acid theta Esi+12.190995,552.2709,12.190995,2.325668758,2.166983665,2.53360086,2.359319117,2.370462854,2.260289071,2.39150699,2.424880286,2.224637623,2.663766271,2.357528028,2.511220104,2.348320929,2.474240925
6800,C15 H25 N O3,Metoprolol Esi+9.162998,267.1805,9.162998,0.374499425,0.527927525,0.293513586,0.322638921,0.502420637,0.585198805,0.331173364,-0.399166612,-0.371041916,-0.43271888,-0.50143289,-0.263916779,-0.550250496,-0.301757265
6801,C25 H43 N O6,C25 H43 N O6,453.3095,9.323982,0.206639487,0.610349958,0.085882064,0.68298987,0.203602853,0.691134061,0.002298311,-0.059765657,-0.262810003,0.182462686,-0.26444255,0.213608905,-0.339457888,0.120562229
6802,C20 H32 O8,Cincassiol B Esi+9.038972,400.215,9.038972,0.397518275,0.191287371,0.546691649,0.303721907,0.414370425,0.515755158,0.289160542,0.29610528,0.215516247,0.392246583,0.258908896,0.318738912,0.422667775,0.214505778
6803,C32 H46 O8,Cucurbitacin B,557.3131,9.65902,0.920584693,0.88320788,0.863830842,0.923412888,0.740473564,0.748089511,0.911693689,-0.693540863,-0.701468204,-0.684083684,-0.758440923,-0.579534426,-0.692804657,-0.694015522
6804,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+15.251973",404.3653,15.251973,2.325449388,2.406383386,2.094999795,2.384572138,2.196129024,2.386473431,2.225089243,-1.9856458,-2.195899166,-1.734817223,-2.071070535,-1.866402449,-2.038155812,-1.951790661
6805,C16 H34 O4,C16 H34 O4 Esi+12.415022,290.2454,12.415022,0.085485707,0.095495924,0.265146044,0.183470271,0.297177088,0.214343334,0.257941984,0.096593931,0.011908062,0.197622687,-0.007805686,0.219984226,-0.014804124,0.168416361
6806,C37 H67 O10 P,"PG(18:3(9Z,12Z,15Z)/13:0) Esi+12.561019",701.4401,12.561019,1.407978469,1.377429177,1.291054114,1.244328283,1.400875435,1.323356419,1.351154208,1.1291436,1.169432949,1.081079115,1.089261575,1.16399554,1.170768204,1.102306685
6807,C13 H20 O2,"(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one Esi+15.031005",208.1456,15.031005,1.254385886,1.20003104,1.17180488,1.249028064,1.221064561,1.185996574,1.204758015,-1.448729601,-1.575359233,-1.297662671,-1.465497934,-1.446794859,-1.424413638,-1.464406998
6808,C20 H52 N16 O P,C20 H52 N16 O P,563.4251,15.334973,0.718624552,0.783164127,0.516436587,0.787070025,0.528728014,0.661703981,0.667957781,-0.432112506,-0.559007471,-0.28072904,-0.52575912,-0.298936906,-0.42017243,-0.439810713
6809,C14 H22 O4,(-)-trans-C75 Esi+7.2580223,254.1515,7.2580223,0.22317465,0.439763927,0.106502389,0.206562574,0.246522833,0.379987499,0.104610919,0.147546661,0.292173934,-0.024991138,0.198260033,0.086027044,0.30465569,0.046252682
6810,C23 H36 N2 O11,Perindoprilat glucuronide,516.2389,7.1240134,0.106873537,0.125717301,0.015392766,0.027062912,0.07400496,0.256167818,0.025384972,0.158864097,0.246028503,0.054878491,0.221523484,0.068279101,0.394176078,0.007149794
6811,C32 H64 N6 O12,C32 H64 N6 O12 Esi+9.095974,724.4569,9.095974,0.422547359,0.619764877,0.136206883,0.344686081,0.361210245,0.59468066,0.300555102,0.190532236,0.312359307,0.045194678,0.213991719,0.136884142,0.32374896,0.104642506
6812,C47 H87 O13 P,"PI(16:0/22:2(13Z,16Z)) Esi+14.241962",889.577,14.241962,1.46977326,1.492199179,1.307236361,1.529427603,1.347736212,1.39066837,1.474543326,-0.950478465,-0.994223589,-0.8982913,-0.953611886,-0.960694302,-0.886351633,-0.991823397
6813,C32 H46 O6,"(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid Esi+7.6629915",543.361,7.6629915,1.042013747,0.771479447,1.153613805,0.923753531,0.924822709,0.936375286,0.962657181,0.741444076,0.61473095,0.892610613,0.705870211,0.765880847,0.762848374,0.727643937
6814,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.268012",814.5404,14.268012,0.577196748,0.706401935,0.276670994,0.526202417,0.568467642,0.4719921,0.571486852,-0.347963888,-0.500780211,-0.165656697,-0.313218183,-0.397323303,-0.357399561,-0.341880363
6815,C17 H26 O7,Jasmolone glucoside,342.1653,6.7449956,0.291104837,0.616406678,0.088518624,0.469303588,0.123377821,0.413768718,0.174406906,0.226066957,0.426003686,-0.012454053,0.340545913,0.080141546,0.350563761,0.145799281
6816,C11 H27 N2 O4 P,C11 H27 N2 O4 P,282.1786,3.6259937,0.162983198,0.250550979,0.043532647,0.224689329,0.072710608,0.135719309,0.088676911,0.139557556,0.24307027,0.016068704,0.186630531,0.102382333,0.170689555,0.119485609
6817,C25 H39 N O6 S,N-acetyl-LTE4 Esi+4.9530025,498.2807,4.9530025,0.827625978,0.723438288,0.853565268,0.749092325,0.76672034,0.724048607,0.763071459,0.480917437,0.527906087,0.4248608,0.421626893,0.527425403,0.488061717,0.476311256
6818,C39 H58 N3 O5 S,C39 H58 N3 O5 S,680.4117,13.68799,0.05536585,0.216658515,0.546957443,0.167241782,0.039894001,0.114972632,0.086653172,0.109426862,-0.024082994,0.268701776,0.166250551,0.022221741,0.106644628,0.11122067
6819,C25 H49 N8 O,C25 H49 N8 O,477.4022,16.528017,2.200527866,2.390698549,2.154413159,2.389228624,2.354730647,2.506622789,2.26215516,-1.767014411,-1.903663817,-1.603994068,-1.712840818,-1.820381786,-1.621244965,-1.860997344
6820,C24 H42 O10,C24 H42 O10,490.2777,10.074975,1.484723903,1.400948826,1.541975425,1.51343694,1.439173254,1.603171026,1.445728809,2.114406012,2.015341949,2.232587702,2.172317706,1.999843172,2.310539328,1.987951637
6821,C34 H6 O15 P,C34 H6 O15 P Esi+11.63698,684.9438,11.63698,1.570794478,1.55983079,1.631836186,1.580555945,1.517717668,1.664351267,1.573140391,0.884360703,0.917583791,0.844726141,0.921795854,0.804414363,0.989201159,0.816766197
6822,C36 H64 O11,Vinaginsenoside R12 Esi+13.895997,694.4229,13.895997,0.917745537,1.073227903,0.745457256,0.96592629,1.040728966,0.977711026,0.944823294,-0.479512453,-0.660450077,-0.263657041,-0.409095258,-0.600225356,-0.500367306,-0.46606656
6823,C49 H30 Cl N9 O3 S3,C49 H30 Cl N9 O3 S3,923.1312,13.417984,0.547065269,0.509017248,0.367617844,0.568658144,0.215313953,0.374186378,0.484336168,-0.195486558,-0.241910243,-0.140103916,-0.206152867,-0.198262814,-0.151200105,-0.224039666
6824,C10 H14 N2 O3,Aprobarbital,210.101,6.543983,1.298116111,1.312750296,1.320656172,1.469869324,1.388901892,1.491508174,1.233597008,0.295630277,0.352292313,0.228033462,0.275782147,0.327420543,0.314214268,0.283648493
6825,C20 H52 N18 O6,C20 H52 N18 O6 Esi+13.225025,640.4313,13.225025,0.923466303,1.031393892,0.883033954,0.890628289,1.020647203,0.951476127,1.002543444,0.600564998,0.67083012,0.516739939,0.618381227,0.558889642,0.618462955,0.589025525
6826,C20 H37 O5 P,Palmitoleoyl 3-carbacyclic Phosphatidic Acid,388.2366,8.6910095,0.707622966,0.789179774,0.487260501,0.635374684,0.618276352,0.562515259,0.710242466,0.462594014,0.544540153,0.364833708,0.478189164,0.419559137,0.457807693,0.465679932
6827,C23 H49 N O4 P,Elaidylphosphocholine Esi+9.125983,456.3167,9.125983,0.866575582,0.921330652,0.856964992,1.058345692,0.631966397,1.097943081,0.742003187,-0.846889015,-0.797709221,-0.905559645,-1.025561213,-0.622847181,-0.942237421,-0.785414384
6828,C18 H30 O3,C18 H30 O3 Esi+13.165024,294.2184,13.165024,1.434114218,1.203093366,1.59308615,1.227527549,1.560300797,1.261024562,1.483980273,1.96583835,1.751494248,2.221547103,1.855540532,2.102988474,1.782472521,2.084061055
6829,C11 H16 O10,D-Erythroascorbic acid 1'-a-D-glucoside,308.0739,4.619996,0.27586649,0.360341354,0.130941012,0.167874175,0.312422935,0.392121348,0.160659066,0.286431406,0.605474693,-0.094181639,0.418314192,0.093395673,0.634465404,0.062041064
6830,C22 H12 N7 O21,C22 H12 N7 O21,710.0078,14.512958,1.31291561,1.481321915,1.095466868,1.46192491,1.235171771,1.306927396,1.340640804,-0.704783114,-0.818297219,-0.569362778,-0.666163905,-0.771638998,-0.594599588,-0.775822492
6831,C27 H61 N6 O4 P S,C27 H61 N6 O4 P S,596.4162,13.728023,0.400061297,0.125165879,0.760852785,0.431561316,0.326693522,0.38496779,0.39709417,0.787791067,0.398493265,1.252216515,0.845918335,0.68243929,0.694790748,0.847751799
6832,C8 H16 N2 O6 S,Homolanthionine,268.0724,5.461013,0.674997392,0.481814997,1.090910426,0.655713488,0.662654513,0.613504435,0.718489173,0.617031289,0.395017274,0.881890114,0.641224458,0.568146372,0.526959381,0.675103967
6833,C20 H22 O5,"1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol Esi+12.751971",364.1287,12.751971,0.283560241,0.183187727,0.34231039,0.239656019,0.225146922,0.423471139,0.169678865,-0.116468452,-0.087364569,-0.151188873,-0.134248092,-0.076952386,-0.176099405,-0.078022179
6834,C15 H24 N10,C15 H24 N10,343.1532,8.06201,0.596338497,0.628947371,0.556788145,0.699905107,0.416187282,1.134073112,0.206171643,-0.873537059,-0.872705497,-0.874529096,-0.931487815,-0.776440992,-1.364520113,-0.556982195
6835,C18 H39 N O2,Sphinganine,301.2975,11.469977,1.914129751,2.012104967,1.628671957,2.011232452,1.697742047,1.809089794,1.871517358,-1.299247497,-1.381707418,-1.200874258,-1.342983582,-1.227360042,-1.32259697,-1.284193232
6836,C9 H10 O2,2'-Methoxyacetophenone Esi+7.3189783,150.0678,7.3189783,0.25106022,0.286942362,0.09633112,0.261571582,0.185829347,0.026947593,0.363415845,-0.171500954,-0.217338889,-0.116817101,-0.138126576,-0.227382631,-0.006106666,-0.278136745
6837,C37 H73 N2 O7 P,"PE-Cer(d15:2(4E,6E)/20:0(2OH)) Esi+13.761976",687.5105,13.761976,0.511241728,0.430034019,0.60679967,0.544286426,0.483787246,0.314108382,0.635501102,0.351096966,0.345690346,0.357546968,0.36162463,0.329242984,0.222451076,0.434039711
6838,C17 H25 N3 O7,Thr Thr Tyr,382.1605,10.980977,1.343853228,1.330838274,1.291146323,1.324114061,1.405530652,1.025390351,1.53273939,0.592649264,0.602638407,0.580732392,0.573668802,0.641150246,0.44506794,0.687800381
6839,C35 H49 N3 O3,"(6S)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct / (6S)-cholecalciferol 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct",559.3763,13.824973,1.078585036,0.81256049,1.282607301,0.94080502,1.147524295,0.911830024,1.146732446,0.999767226,0.787837282,1.252595931,0.870595209,1.171490453,0.904329487,1.061299452
6840,C24 H43 N O3 P S,C24 H43 N O3 P S,456.2728,12.935037,1.172991545,0.802717455,1.486109311,1.059661753,1.158835518,0.884059884,1.297038825,0.986134259,0.692148882,1.336853656,0.929300829,1.084858677,0.743841156,1.14234955
6841,C39 H64 S2,C39 H64 S2,596.4421,14.999019,1.299603254,1.556633507,0.999362201,1.33561383,1.297585898,1.306470121,1.284594,-1.185251878,-1.463244773,-0.853611231,-1.24251459,-1.125965487,-1.146984699,-1.209924138
6842,C8 H19 Cl N6 O,C8 H19 Cl N6 O,250.1257,5.3389916,0.344726552,0.437421309,0.304364049,0.429128682,0.233821484,0.452426117,0.271307909,-0.396858145,-0.488902861,-0.287050413,-0.456037124,-0.300132541,-0.4556083,-0.358979755
6843,C21 H43 N8 O2,C21 H43 N8 O2 Esi+12.853023,439.3499,12.853023,1.303521886,1.547240034,1.07921179,1.574858979,1.253372224,1.618054564,1.225884316,-1.016815445,-1.283371782,-0.698818411,-1.041715965,-0.926546692,-1.121276328,-0.949465665
6844,C17 H2 N2 O12 P S2,C17 H2 N2 O12 P S2 Esi+13.227033,520.8789,13.227033,0.514983978,0.626072505,0.221146892,0.676525186,0.262531663,0.495316265,0.391145047,-0.166007376,-0.209036412,-0.114674491,-0.161940266,-0.182003201,-0.123411909,-0.193470243
6845,C25 H55 N13 O4 S,C25 H55 N13 O4 S,633.4216,12.831028,1.730159623,1.940457243,1.457780317,1.851865194,1.585464453,1.902246024,1.622797749,1.713593542,1.919126571,1.468396245,1.746482058,1.650782244,1.831512038,1.637567144
6846,C36 H62 O11,Ginsenoside Rh6 Esi+13.68402,692.4122,13.68402,0.949321237,0.852266414,1.171584488,0.988070326,0.958696947,0.997279845,0.861602708,0.605456955,0.531175996,0.694072837,0.627229406,0.581625202,0.610742716,0.60204903
6847,C27 H44 O4,Neogitogenin,432.3243,13.665024,0.675700259,0.705453183,0.391253702,0.756414545,0.399873331,0.596391302,0.561487515,-0.247878482,-0.282033048,-0.207132684,-0.254399765,-0.250408073,-0.206542711,-0.274529176
6848,<none>,<none> Esi+10.576998,592.7309,10.576998,0.904848631,0.797975578,0.910236153,0.952417439,0.683122753,0.592003706,0.967357167,-0.485979928,-0.4291947,-0.553723709,-0.490424151,-0.507019219,-0.302673853,-0.604164109
6849,C27 H42 N7,C27 H42 N7,462.3473,13.909971,0.705506282,0.813820676,0.53342228,0.653406565,0.74087515,0.673031468,0.66410843,-0.935282135,-1.09218121,-0.748104291,-0.844942475,-1.122752072,-0.893466149,-0.962242442
6850,C29 H40 O8,Lucidenic acid E2 Esi+11.527993,538.2555,11.527993,2.22918806,2.137631981,2.635515713,2.332255093,2.438531737,2.368359256,2.345414101,1.580839382,1.419121409,1.773766086,1.52285561,1.65174975,1.667571182,1.524920194
6851,C9 H18 O4,C9 H18 O4,190.1208,6.848015,0.503550529,0.672621022,0.449032084,0.69702546,0.326868284,0.889873785,0.302156527,0.282965946,0.320717773,0.237928679,0.369533566,0.172372666,0.447789904,0.176697868
6852,C20 H28 N8,"Bis(3-azidopyridinium)-1,10-decane perchlorate Esi+8.925022",397.2673,8.925022,1.054732165,0.976783723,1.256444736,1.200694927,1.0471091,1.138193907,1.074091051,-0.709273083,-0.611270933,-0.82618793,-0.715731707,-0.727112948,-0.68320616,-0.726079389
6853,C29 H61 Cl N9 O P S,C29 H61 Cl N9 O P S,649.416,10.024998,0.902193225,0.938119624,0.761236211,0.819235558,0.883099497,0.72757378,0.960459592,0.809808374,0.879634843,0.726506623,0.770784974,0.850527712,0.817403197,0.804911713
6854,C24 H33 N O4,Butroxydim,399.246,6.041993,1.130637404,0.990979341,1.236649899,1.117103786,1.116477487,0.806795882,1.286265875,-0.733086,-0.61393164,-0.87523506,-0.680528018,-0.814452124,-0.485240272,-0.892881271
6855,C27 H30 N10 O24 P,C27 H30 N10 O24 P,909.1164,12.791014,0.298377135,0.314833652,0.204445432,0.281854819,0.097750698,0.171152816,0.284165405,-0.081652545,-0.111501748,-0.046042971,-0.041092495,-0.162686404,-0.024851694,-0.118274147
6856,C26 H37 N O6,Militarinone A Esi+11.291993,459.2631,11.291993,0.968174025,1.088780657,0.839498705,1.031376755,0.942104127,0.97989534,1.000023269,0.570541946,0.627745569,0.502299028,0.557504749,0.576808995,0.523848146,0.600647159
6857,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+10.302983 :1",328.2244,10.302983,0.007844757,0.106858188,0.113424861,0.048534707,0.040739729,0.24234128,0.158111724,-0.011838373,-0.065146046,0.051756746,0.013767146,-0.048696305,0.1321296,-0.104659829
6858,C12 H17 N5 O5,"N2,N2-Dimethylguanosine",311.1225,3.422991,1.521120451,1.464401346,1.465766784,1.504268034,1.567387113,1.581793096,1.490621966,0.694322938,0.79164477,0.5782197,0.708524488,0.695943361,0.792238497,0.63119317
6859,C22 H38 O5,7-F2-dihomo-IsoP Esi+13.829029,382.2718,13.829029,0.437076714,0.297651716,0.501740186,0.406641495,0.450714176,0.34124367,0.489789274,0.308235082,0.260803472,0.364820162,0.307413463,0.325704105,0.255578133,0.342184958
6860,C31 H45 N3 O4 S,Pateamine Esi+11.503017,554.3076,11.503017,2.480900358,2.324483602,2.706002313,2.449622212,2.632057416,2.323936432,2.621693065,4.574732873,4.200264811,5.021466702,4.309605665,4.918126596,4.272318919,4.769710291
6861,C35 H72 N23 O P,C35 H72 N23 O P,861.5996,12.745026,0.230028478,0.173744656,0.199026314,0.080306069,0.245713988,0.001212129,0.255736788,-0.149157791,-0.128999795,-0.173205925,-0.084257459,-0.260075286,-0.070142083,-0.200102129
6862,C29 H59 N O7 P,PC(O-18:0/3:1(2E))[S],586.3884,12.573981,1.78908494,1.542995301,1.884889047,1.694354757,1.764558535,1.546085838,1.826899846,2.151915431,1.915027872,2.434518133,2.05223491,2.291322183,1.951731539,2.280981361
6863,C10 H14 O3,Furfuryl isovalerate,182.0936,6.057992,0.527537165,0.62062808,0.378952306,0.552449642,0.465823242,0.297460576,0.630697807,-0.4173159,-0.486535417,-0.33473823,-0.395908531,-0.453334921,-0.300179539,-0.492838027
6864,C46 H68 N16 O2 P,C46 H68 N16 O2 P,907.5435,13.905025,0.43915389,0.804724634,0.43260322,0.344407085,0.379811473,0.503450588,0.318690056,-0.123808697,-0.332151372,0.12474046,-0.091420643,-0.166666303,-0.182137075,-0.086202243
6865,C34 H54 O8,"(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol 3-glucoside Esi+16.044973",590.3813,16.044973,0.199158307,0.165560052,0.230851605,0.243344793,0.132063899,0.448628285,0.075238017,0.183906082,0.154481923,0.219008587,0.225358832,0.137572122,0.352135656,0.075442278
6866,C32 H63 N2 O6 P,"PE-Cer(d14:2(4E,6E)/16:0) Esi+10.009014 :1",624.4235,10.009014,0.662470282,0.627785294,0.532892945,0.797298521,0.360620736,0.644912378,0.52082948,-0.444080634,-0.457454693,-0.428125616,-0.500019561,-0.358625452,-0.39130551,-0.4781067
6867,C17 H26 O7,Jasmolone glucoside Esi+6.1510005,342.1667,6.1510005,0.050497409,0.268989116,0.403222235,0.044957245,0.056759882,0.327277322,0.198191057,0.064381093,0.213442538,-0.113446596,0.107798758,0.013000069,0.265996624,-0.065607868
6868,C39 H47 N5 O5,Jubanine C Esi+12.59798,664.343,12.59798,0.244635513,0.029049053,0.519685979,0.138890693,0.225927803,0.23711452,0.200915176,0.236412814,0.076861549,0.426754675,0.266245338,0.182796301,0.251974003,0.226379942
6869,C15 H7 N5 O20 P,C15 H7 N5 O20 P Esi+14.158989,607.941,14.158989,0.500423565,0.647289628,0.139099559,0.6239033,0.278120579,0.462884114,0.431077073,-0.177250118,-0.261378532,-0.076886397,-0.178169381,-0.18169558,-0.148962877,-0.195487945
6870,C19 H36 N7 O,C19 H36 N7 O,378.2981,12.863023,0.495874583,0.757284032,0.03942584,0.606024992,0.225332996,0.608372491,0.283377846,-0.38638363,-0.683576686,-0.031837529,-0.42927939,-0.264614682,-0.558790475,-0.275226586
6871,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.1710105,258.1447,5.1710105,0.120234874,0.059137304,0.305931437,0.041416166,0.360259191,0.055673773,0.167601511,-0.175220852,-0.014509497,-0.366946678,-0.090533478,-0.308861808,-0.062737946,-0.247742725
6872,C33 H65 O10 P,PG(15:0/12:0),674.4062,12.81398,0.817330757,0.938104632,0.530619849,0.678890971,0.819205317,0.781592896,0.74924954,-0.627369639,-0.843391773,-0.369659024,-0.574932464,-0.692670599,-0.675644815,-0.596244855
6873,C19 O13 P S2,C19 O13 P S2 Esi+12.120033,530.8521,12.120033,1.68314233,1.710128338,1.687273022,1.616777359,1.664892511,1.628320089,1.699507624,1.547950597,1.551242302,1.544023652,1.541855181,1.526827037,1.570241402,1.533578895
6874,C11 H10 N O2,"N-(2,5-Dihydroxyphenyl)pyridinium(1+) Esi+2.6760032",187.061,2.6760032,0.156945891,0.001316837,0.32719732,0.114084313,0.11948606,0.074968042,0.21576836,-0.098334536,-0.04664818,-0.159995453,-0.105709344,-0.061604323,-0.072154812,-0.115213569
6875,C34 H58 O6,Campesteryl glucoside Esi+15.584974,562.4205,15.584974,1.391313391,1.508971607,1.178321918,1.423578979,1.295291511,1.399799163,1.313813368,-1.363818381,-1.593036422,-1.090365279,-1.331078869,-1.431595739,-1.307336754,-1.400234167
6876,C36 H61 N2 O2 S2,C36 H61 N2 O2 S2,615.4082,14.105975,0.242059198,0.30787981,0.231806535,0.32716514,0.140832694,0.446464461,0.1032405,0.219344182,0.258043726,0.173176305,0.260872999,0.12958868,0.334952057,0.144807526
6877,C24 H40 N6 O6,C24 H40 N6 O6 Esi+12.902009,508.3016,12.902009,1.850448054,1.706397854,1.937635552,1.836968168,1.829810631,1.731039791,1.904059288,2.17287116,2.0706255,2.294848438,2.139520768,2.208295702,2.144253951,2.191321729
6878,C12 H21 N O17 S2,"3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine Esi+12.368974 :1",514.0228,12.368974,0.0528856,0.002356161,0.238434921,0.038103837,0.171973897,0.134608488,0.119847768,0.070551659,0.061859701,0.080921013,0.10511594,0.006440527,0.123446784,0.036448224
6879,C51 H97 O12 P,PI(P-20:0/22:1(11Z)) Esi+13.87303 :1,954.6427,13.87303,1.126068468,1.03922224,1.300297723,1.191912034,1.027625442,1.331242572,1.044808191,0.741279443,0.74178262,0.740679162,0.794492861,0.640035756,0.895274758,0.64199299
6880,C12 H18 O6,"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone Esi+6.385008",275.1369,6.385008,0.926347089,1.035560233,0.771864175,0.862870649,0.89009488,0.823338455,0.931202318,-0.377232239,-0.446074438,-0.295104702,-0.370052541,-0.339024131,-0.395310785,-0.365576333
6881,<none>,<none> Esi+13.135009,427.7948,13.135009,1.228165712,1.203357628,1.381906809,1.387706199,0.996452222,1.30241398,1.270768501,0.57002239,0.560343454,0.581569191,0.63990846,0.456434739,0.603118106,0.548684363
6882,C29 H59 N8 O5,C29 H59 N8 O5,599.4606,13.31299,0.055746234,0.135541156,0.208249719,0.062276961,0.084924726,0.1072025,0.016556828,0.014767558,-0.027534762,0.065233484,0.025313172,-0.015150206,0.08332733,-0.029435452
6883,C44 H77 N8 O9,C44 H77 N8 O9,861.5814,14.497015,0.912217631,1.028277912,0.648304503,0.929724508,0.747760588,0.854833232,0.831536569,-1.127791677,-1.457089051,-0.734945687,-1.097702501,-1.172898743,-1.138185247,-1.121090559
6884,C20 H51 Cl2 N13,C20 H51 Cl2 N13,543.3772,14.333007,0.843300061,0.78275899,0.783948175,0.904113252,0.587785096,0.860226334,0.766971636,0.557928526,0.551710773,0.565346195,0.650463275,0.43754669,0.619960733,0.517934077
6885,C22 H53 N16 O7 P,C22 H53 N16 O7 P,684.4135,12.605976,1.623773492,1.418592133,1.682026566,1.612649458,1.389121531,1.390762309,1.646365427,1.194586123,1.166849386,1.227675564,1.232414402,1.121510929,1.146697567,1.225461639
6886,C55 H70 Mg N4 O5,Divinylchlorophyll a Esi+13.900951,912.4999,13.900951,1.252611592,0.87518227,1.758610613,1.166649172,1.439798211,1.033894132,1.471615229,0.580685455,0.435115147,0.754348278,0.569318623,0.592973088,0.497396161,0.634385131
6887,C22 H31 N7 O6,Glu Arg Trp,511.2157,14.17897,1.665186458,1.718606755,1.317976459,1.618531249,1.476424922,1.555397356,1.557579443,-1.412522473,-1.460098959,-1.35576456,-1.388842784,-1.433171838,-1.483300521,-1.366889258
6888,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.042973",278.2243,16.042973,1.051275124,1.084943776,0.890560297,1.027050914,0.924322779,1.024278342,0.946310414,-1.248429233,-1.439126349,-1.020930918,-1.231374316,-1.285693063,-1.320506039,-1.20195866
6889,C40 H56 O5,"(3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one",616.4183,13.791993,0.39393494,0.53746298,0.205777832,0.656195553,0.141690356,0.40870523,0.340150709,-0.213182928,-0.327300977,-0.077042097,-0.232417991,-0.177878538,-0.185471779,-0.231049326
6890,C17 H37 N O2,C17 Sphinganine Esi+9.652002,287.2824,9.652002,1.650571194,1.801007514,1.746573062,1.797528975,1.875717858,1.866401297,1.759259994,-0.930881769,-0.898597477,-0.969396362,-0.842758625,-1.065975767,-0.851205493,-0.982251999
6891,C19 H15 N10 O18 P S,C19 H15 N10 O18 P S Esi+11.977031,734.0014,11.977031,0.218170727,0.062717096,0.505429812,0.156235004,0.346898987,0.278392495,0.223340578,0.131334869,0.07595318,0.197404252,0.11900099,0.124722443,0.171669403,0.105329708
6892,C13 H20 N2 O,Prilocaine,220.1573,6.9179964,0.99508046,1.209424798,0.596044004,0.944377592,1.024012929,0.841952132,1.024288549,-0.488612203,-0.617520301,-0.334827104,-0.45260098,-0.551203158,-0.434539697,-0.52347474
6893,C16 H N2 O11 P S3,C16 H N2 O11 P S3 Esi+11.511979,523.8444,11.511979,1.628101242,1.621984938,1.680668075,1.652740233,1.527492983,1.690388207,1.62901238,0.869029964,0.918625067,0.809863875,0.904737925,0.792362299,0.948379408,0.817870453
6894,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+8.651",214.1204,8.651,1.973595326,1.763879985,2.002805234,1.85472152,1.986029836,1.720451521,2.026557343,2.233374453,2.07907475,2.417451292,2.087982913,2.423993964,2.102233553,2.317925822
6895,C15 H33 N,n-Pentadecylamine Esi+11.465017,227.261,11.465017,1.031871191,0.854242709,1.164194412,1.040022588,0.920266099,0.776802191,1.139213435,0.524891901,0.45920706,0.603252763,0.547439435,0.500538587,0.46258935,0.565060651
6896,C13 H22 N O4,C13 H22 N O4,256.1619,14.17897,1.378372148,1.377574313,1.152140734,1.375611381,1.213886013,1.219626355,1.33541068,-0.688032961,-0.74384339,-0.621452097,-0.650217148,-0.739717565,-0.626502714,-0.727703777
6897,C34 H50 O9,Physapruin B,619.3772,6.79899,0.940943596,0.702112081,1.24829318,0.921837141,1.000392847,0.636794521,1.134869993,-0.583033677,-0.363425124,-0.845022827,-0.478230608,-0.739433281,-0.322899904,-0.750751504
6898,C46 H60 O7,"Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one Esi+13.751971",724.4367,13.751971,0.245420606,0.045931802,0.583270747,0.008718748,0.463898918,0.050219803,0.354394131,0.092156307,-0.008494315,0.212230732,0.030254425,0.16480523,0.021837396,0.137493499
6899,C30 H48 O5,21beta-Hydroxyhederagenin Esi+13.761976,505.3726,13.761976,0.638566452,0.672833897,0.490963492,0.800152598,0.465295635,0.59619683,0.573514843,-0.315031481,-0.314075606,-0.316171824,-0.330451443,-0.312415488,-0.268149979,-0.345257713
6900,C45 H72 O16,Desglucomusennin,868.4783,13.926021,1.486555955,1.151645624,1.880414477,1.468664681,1.565578318,1.278302962,1.674567519,0.680053637,0.549389612,0.835933526,0.686943248,0.664174825,0.587936845,0.739444727
6901,C45 H74 O10,"MGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",791.5581,10.284018,0.326230184,0.173075215,0.442843935,0.324350034,0.344518812,0.034389526,0.452521434,-0.202148382,-0.103597316,-0.319718075,-0.149098992,-0.293326574,-0.027974966,-0.314444401
6902,C27 H55 N2 O S3,C27 H55 N2 O S3,519.3442,10.965995,0.914673014,0.89007989,0.868581051,0.898992763,0.827039351,0.910668421,0.879618527,0.501782136,0.529924429,0.468208873,0.520757151,0.450500242,0.551576531,0.469677854
6903,C10 H5 N O17 P S2,C10 H5 N O17 P S2 Esi+13.761976,505.8732,13.761976,0.327995904,0.371518024,0.104486841,0.366415215,0.164636047,0.159419292,0.322873821,-0.105683942,-0.131199322,-0.075244543,-0.082529202,-0.151210486,-0.021140148,-0.160192442
6904,C23 H48 N O6 P,PE(P-18:0/0:0) Esi+6.401985 :1,487.2985,6.401985,1.103554725,0.891374889,1.350906498,1.040306854,1.067176502,0.817300996,1.207339209,-0.634119004,-0.468834252,-0.831300814,-0.557427611,-0.751907652,-0.447993941,-0.75412069
6905,C28 H55 N O4 S,(Z)-2-Hexacos-17-enamidoethanesulfonic acid,250.19,14.762956,1.53370684,1.669688144,1.318028909,1.54115002,1.5295324,1.547892748,1.523008368,-1.152908452,-1.305950321,-0.970332187,-1.154959409,-1.147434792,-1.117356621,-1.175830027
6906,C26 H58 N16 O2 P,C26 H58 N16 O2 P,657.4667,13.36798,0.098296563,0.189069872,0.588201168,0.160111419,0.166015675,0.018402034,0.220342219,0.130534131,-0.031721134,0.324101815,0.139131956,0.124091789,0.068773031,0.170353788
6907,C25 H34 O3,Apo-12'-violaxanthal Esi+7.4909916,399.2832,7.4909916,0.107988961,0.039442222,0.346333734,0.220133289,0.044620307,0.033075241,0.118269337,-0.077086449,0.043532114,-0.220982278,-0.082420838,-0.094205044,0.002865544,-0.128634445
6908,C11 H13 N3 O3 S,Sulfamoxole Esi+4.244996,284.0926,4.244996,0.006588423,0.161196938,0.247020379,0.251935846,0.201537376,0.206678112,0.141951296,0.224422136,0.477882749,-0.077951928,0.160998537,0.371089127,0.201419983,0.239252472
6909,C36 H71 N O8 P,PC(10:0/18:1(9Z)),675.4759,9.084984,0.747791176,0.702826235,0.791558115,0.929439155,0.493199421,0.852432537,0.631713704,-0.513684343,-0.448104303,-0.591920181,-0.583991275,-0.439631914,-0.480557388,-0.535042512
6910,C34 H63 N5 O9,Pepstatin Esi+13.061021,684.4569,13.061021,1.422319679,1.480416326,1.396095225,1.322877311,1.519577773,1.415144065,1.476765405,0.681753465,0.737592445,0.615138543,0.670452939,0.684325431,0.710613565,0.663146296
6911,C36 H62 O9,Ginsenoside F1 Esi+10.912017,638.4386,10.912017,0.79748191,0.853276007,0.701746615,0.923832518,0.625352395,0.643098912,0.821691138,-0.502175355,-0.49045554,-0.51615689,-0.494980132,-0.528185878,-0.320636312,-0.619220265
6912,C23 H47 N8 O,C23 H47 N8 O Esi+14.844975,451.3857,14.844975,1.039115248,1.024886808,1.164500313,1.08535056,1.180252535,0.71485245,1.390196632,0.694221617,0.633515417,0.766643049,0.644575939,0.745811835,0.470742202,0.838307029
6913,C45 H88 N O9 P,PS(P-20:0/19:0),817.6098,15.3400345,0.619151712,0.585157563,0.504250886,0.47368841,0.645723782,0.453510722,0.609007251,-0.246189035,-0.299389814,-0.18272144,-0.215860613,-0.296512622,-0.185408881,-0.28537624
6914,C47 H88 N2 O7 S4,C47 H88 N2 O7 S4,920.5479,14.407974,0.310875891,0.298126751,0.355718255,0.36432442,0.221232585,0.449697751,0.219056833,0.29287231,0.280422708,0.307724467,0.379155608,0.168008134,0.40177238,0.222660423
6915,C30 H50 O6,Theasapogenol A Esi+14.127985,506.358,14.127985,0.590706826,0.612279328,0.422166376,0.57084552,0.452314387,0.421738561,0.56233453,-0.312199907,-0.375808029,-0.236316532,-0.32251706,-0.343384866,-0.223377424,-0.369467034
6916,C21 H41 N O4,N-stearoyl serine,371.3033,14.677001,0.623916038,0.7535536,0.207349008,0.466625483,0.62707564,0.553922391,0.575921049,-0.235426719,-0.331213373,-0.121154921,-0.207837566,-0.285907543,-0.232357599,-0.237405494
6917,C5 H14 N O,Choline Esi+11.423998,103.0999,11.423998,1.222297804,1.17450692,1.070427064,1.121985444,1.079182891,1.07045974,1.145863999,-1.58585334,-1.610248316,-1.556750563,-1.615426905,-1.549465044,-1.699905892,-1.512319458
6918,C24 H28 O5,"alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone",396.1935,11.023996,1.889282419,1.82512803,2.03568472,1.940357957,2.012059265,1.932166912,1.953893199,-0.742897877,-0.765766615,-0.715615873,-0.705898839,-0.799222015,-0.720450002,-0.757370849
6919,C23 H36 N2 O,C23 H36 N2 O,356.2822,12.513981,1.253933611,1.509337799,0.942997182,1.326148782,1.276089089,1.550789109,1.11431432,-0.506554768,-0.658657868,-0.325098438,-0.482081234,-0.518812406,-0.578565045,-0.46012709
6920,C12 H15 N3 O4,Agaritinal Esi+9.269019,264.0972,9.269019,0.237330621,0.421260712,0.147218716,0.218174406,0.038422631,0.478351534,0.047910026,-0.22871015,-0.31544559,-0.125236292,-0.289818669,-0.11657615,-0.370135133,-0.137528253
6921,<none>,<none> Esi+11.808024,538.7018,11.808024,0.534757013,0.656426093,0.212047446,0.691107605,0.211982831,0.511732679,0.431018459,-0.206204407,-0.2998973,-0.09443043,-0.242939366,-0.174830209,-0.202947082,-0.208304525
6922,C50 H89 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/22:1(11Z)) Esi+14.5",902.6047,14.5,0.850594033,0.888112841,0.744763096,0.820509467,0.803203704,0.802532683,0.830501659,-0.455989832,-0.52712362,-0.371128471,-0.407938286,-0.520848781,-0.437136529,-0.468145251
6923,C28 H58 Cl N3 P,C28 H58 Cl N3 P Esi+16.225039,502.4014,16.225039,2.216880278,2.308056772,2.073642244,2.373160961,2.067730037,2.303446337,2.160555052,-2.1608025,-2.325468213,-1.964359193,-2.155288867,-2.155712529,-2.080820247,-2.212370006
6924,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.423994,272.162,6.423994,1.50581546,1.602825271,1.354524373,1.538129154,1.449996254,1.608753778,1.458113331,1.093439904,1.145602414,1.031210945,1.113143257,1.042025017,1.252773464,0.990711688
6925,C29 H42 N4 O,C29 H42 N4 O,460.3234,14.496029,1.106317574,1.158309287,0.925548914,1.016896636,1.136234561,1.236792197,0.944191157,-0.727549861,-0.808583826,-0.630877762,-0.721222855,-0.742467377,-0.835827233,-0.657739449
6926,C47 H86 N2 O S4,C47 H86 N2 O S4,820.5011,14.278012,0.579873127,0.640023736,0.816199687,0.779693083,0.629077746,0.580951626,0.71188796,0.602013813,0.601031524,0.603185666,0.687015979,0.467160142,0.600875338,0.60274783
6927,C48 H74 O14,Ivermectin B1a Esi+12.950988,448.2444,12.950988,1.470778401,1.198004307,1.780192222,1.389607069,1.65697749,1.241679229,1.667995789,0.667945185,0.557091105,0.800192159,0.654935484,0.689054342,0.584177217,0.72195348
6928,C14 H30 N4 O5,Fortimicin AP,333.2117,5.190996,0.466958181,0.668182355,0.166557469,0.530496562,0.339788035,0.675690631,0.351243039,-0.442900006,-0.734871182,-0.094583515,-0.52401271,-0.291523883,-0.660200201,-0.302798565
6929,C20 H35 N12 P,C20 H35 N12 P,474.2825,10.947999,2.237715394,2.209089632,2.312477249,2.362665883,2.192332598,2.284900746,2.258822305,3.084563224,3.037979479,3.140136815,3.161213551,2.942920827,3.123469748,3.059478755
6930,C46 H76 N6 O14,C46 H76 N6 O14 Esi+14.195012,934.5363,14.195012,0.075592088,0.389977214,0.293125652,0.047502073,0.191734828,0.106929088,0.098190344,0.061247077,-0.258949972,0.443236538,0.114134102,-0.04183765,0.014782529,0.091204483
6931,C50 H89 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/19:0) Esi+14.937011",950.5943,14.937011,0.31438967,0.282715759,0.293420128,0.238464219,0.342543064,0.204842845,0.278867005,-0.093556001,-0.087070739,-0.101292804,-0.026373923,-0.199369262,-0.051280512,-0.120812566
6932,C33 H44 O2,Reticulataxanthin Esi+14.013973,472.3383,14.013973,0.350047404,0.35926289,0.177283492,0.208558386,0.375275563,0.178519832,0.352940309,-0.116038274,-0.134540925,-0.093964937,-0.028808721,-0.236063752,-0.026821019,-0.173559926
6933,C27 H55 N8 O5,C27 H55 N8 O5 Esi+12.792984,571.4288,12.792984,1.261783962,1.377322568,1.036250421,1.36545462,1.260617573,1.321134851,1.269092503,-1.021007097,-1.228123009,-0.773921447,-0.942017516,-1.118043756,-0.994128367,-1.038336804
6934,C18 H36 N O4,"4,8 dimethylnonanoyl carnitine Esi+9.316996",329.2556,9.316996,0.487707111,0.612614751,0.37744319,0.666554976,0.261583268,0.543253843,0.452354449,-0.457554242,-0.480458019,-0.430230437,-0.547383442,-0.353565623,-0.466108023,-0.452039304
6935,C27 H49 N15 P,C27 H49 N15 P,614.4468,14.564964,0.515596498,0.584335963,0.415897136,0.511250234,0.447367459,0.623564297,0.434281661,0.525530546,0.656198054,0.369646502,0.60742923,0.397271671,0.702830512,0.411218726
6936,C28 H48 N6 O4,C28 H48 N6 O4 Esi+14.739991,532.3749,14.739991,1.193518146,1.341168119,0.87489072,1.203815938,1.128641615,1.186083857,1.100144767,-1.097068712,-1.332288137,-0.816456064,-0.964450176,-1.309979479,-0.981016162,-1.171892066
6937,C25 H36 O9,8-Hexanoylneosolaniol Esi+9.493012,480.2338,9.493012,1.242260889,1.214227017,1.368366721,1.258445788,1.196372618,1.37522623,1.221332428,1.692119101,1.566098352,1.842459643,1.766812581,1.565850395,1.770611311,1.64151228
6938,C31 H54 N O3 P,C31 H54 N O3 P,518.3837,15.943028,1.112769444,1.071589082,1.00609684,1.063845857,1.032178896,1.017608643,1.048109401,1.257718926,1.214033627,1.30983472,1.199064297,1.351557808,1.188827073,1.302136041
6939,C16 H24,(+)-Vulgraon B,233.214,9.691994,1.060347955,1.308827441,0.770062314,1.153403835,1.125824436,1.266627415,1.003844525,-0.381822682,-0.464083163,-0.283687372,-0.382806458,-0.39279811,-0.398628349,-0.37098745
6940,C21 H28 O6,"12alpha-Hydroxy-13,18-dehydroparain",376.1882,11.6320095,0.07856504,0.257389307,0.401135435,0.214784858,0.110385898,0.214425088,0.088431058,0.042059728,-0.182762888,0.310269165,-0.019828159,0.11506041,-0.0755783,0.1179053
6941,C8 H20 N3 O3,C8 H20 N3 O3,206.1512,5.889004,0.59480954,0.406852916,0.675502847,0.440965177,0.520759191,0.251809932,0.684545258,0.184732172,0.153642501,0.221821604,0.210433433,0.176669319,0.141261595,0.212759255
6942,C10 H16 O3,Ascariadole epoxide Esi+5.495983,184.1096,5.495983,1.290517386,1.32153571,1.172956545,1.262105549,1.206946647,1.253905026,1.283292109,0.731176331,0.754319298,0.703567178,0.744081297,0.711898149,0.785666791,0.696044324
6943,C19 H18 N3 O24 P,C19 H18 N3 O24 P Esi+14.160959,703.0011,14.160959,0.329273728,0.377562604,0.200607447,0.282497495,0.298780633,0.225491874,0.341867589,-0.162693635,-0.282783305,-0.019428766,-0.110956797,-0.207887507,-0.1519443,-0.169624128
6944,C29 H51 N7 O7,C29 H51 N7 O7,609.384,8.529022,0.550545457,0.516160781,0.534241607,0.348563353,0.880787493,0.375366059,0.689745519,0.425555647,0.499535354,0.337299155,0.273401991,0.62743021,0.3566376,0.469989651
6945,C15 H29 N O5,C15 H29 N O5 Esi+5.7299895,303.2043,5.7299895,1.463398039,1.609121645,1.05642756,1.226793884,1.591071768,1.407142679,1.413065347,1.251730754,1.536811663,0.91163423,1.09190745,1.481444392,1.278668928,1.23436272
6946,C20 H41 N8,C20 H41 N8,393.3447,14.3459635,0.403065835,0.236315111,0.487165393,0.387885268,0.322355903,0.184055532,0.486615594,0.294794901,0.241109612,0.358840508,0.324689433,0.235275482,0.19175779,0.361226722
6947,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.264003,312.1552,7.264003,2.368813232,2.203522162,2.412666213,2.395305445,2.34967514,2.248745872,2.383484111,3.594370493,3.38488133,3.84428739,3.60967036,3.597393198,3.508922656,3.649461862
6948,C52 H90 O12 S2,C52 H90 O12 S2 Esi+14.302001,970.5962,14.302001,0.19129129,0.285497341,0.055513444,0.122848934,0.219668331,0.036684859,0.280937083,-0.045600549,-0.076802135,-0.008377605,0.004760725,-0.125146103,0.05925889,-0.113207293
6949,C13 H2 O17 P S5,C13 H2 O17 P S5 Esi+13.416014,620.7623,13.416014,0.165796264,0.26444078,0.205871208,0.143322097,0.04939677,0.073945967,0.087305537,0.016137964,-0.042507394,0.086100847,0.024383713,-0.010879992,0.036790051,0.002822802
6950,C45 H93 N7 O14 S,C45 H93 N7 O14 S,987.6497,14.856991,1.120774405,1.125214547,0.919487288,1.066491164,1.01822022,0.847970443,1.156715628,-0.81597093,-0.915795608,-0.696881839,-0.746866019,-0.927080401,-0.629205747,-0.936385324
6951,C31 H53 N5 O8,Hydroxyhomodestruxin B,645.3742,13.818036,0.129572349,0.505789467,0.357874929,0.230101814,0.027698853,0.317862535,0.002317908,-0.048064395,-0.391423693,0.361557225,-0.106123846,0.052506081,-0.231461862,0.070178709
6952,C53 H89 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))",964.6113,15.208007,0.349126651,0.390351208,0.2449318,0.318176407,0.313814618,0.38440784,0.244723454,-0.141580908,-0.229966905,-0.036137965,-0.065197897,-0.246850838,-0.175281375,-0.119852976
6953,C11 H20 N2 O3,L-isoleucyl-L-proline Esi+1.7510048 :1,228.1472,1.7510048,1.02909811,1.344183931,0.397317857,0.903357566,1.134624438,1.056737375,0.926305438,0.588892441,0.894751958,0.224007402,0.506630353,0.691302954,0.645808671,0.55219645
6954,C22 H40 N2 O3,C22 H40 N2 O3,380.3021,10.208007,0.506035008,0.499103421,0.378643701,0.375180911,0.595523432,0.161281901,0.648013047,-0.206858824,-0.22399297,-0.186418088,-0.16948296,-0.266702795,-0.085986723,-0.284789521
6955,C27 H45 N O2,22-iso-teinemine,414.3335,15.177001,2.431874042,2.569079927,2.397381185,2.583495228,2.552623443,2.677522773,2.479030975,-2.106670736,-2.327718245,-1.842964936,-2.167378916,-2.029140639,-2.213644946,-2.037700522
6956,C49 H74 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",834.5062,14.428969,0.746230419,0.629588594,1.010303678,0.856333566,0.700665044,0.898061161,0.683971529,0.546717198,0.473372841,0.634215729,0.611471753,0.454725005,0.627811944,0.494432428
6957,C16 H24 O4,"Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate Esi+10.264992",280.1647,10.264992,2.066195371,1.928594213,2.216332047,1.984581428,2.242231848,1.970576757,2.184377696,1.441512287,1.327873,1.577081962,1.361353833,1.556717096,1.40903403,1.462452216
6958,C35 H58 N4 O5 S,Prostaglandin A1-biotin Esi+7.1760173 :1,663.4397,7.1760173,0.410951765,0.236917163,0.680623266,0.487940496,0.359937338,0.131750371,0.570370836,-0.210750746,-0.095855352,-0.347818934,-0.201861805,-0.243709106,-0.042748423,-0.319068033
6959,C36 H69 O9 P,PG(P-16:0/14:1(9Z)) Esi+14.254954,675.4545,14.254954,0.824487248,0.940836155,0.58116475,0.811877165,0.733180321,0.829700745,0.668089333,-0.49888571,-0.655205734,-0.312398664,-0.457779688,-0.536203365,-0.520905243,-0.484688906
6960,C32 H60 O11,Butyl 4'-O-hexadecanoyl-neohesperidoside Esi+12.764986,620.4126,12.764986,0.774269991,0.819519967,0.526962986,0.919801011,0.678930066,0.783111811,0.727016346,-0.576527681,-0.609616961,-0.537052751,-0.580061862,-0.536372675,-0.557667514,-0.588687526
6961,C35 H62 O6,Stigmastanyl glucoside,600.4355,15.709975,0.395518512,0.358975139,0.321640129,0.251204576,0.496840261,0.289182923,0.461033367,-0.312170965,-0.345207909,-0.27275847,-0.173020373,-0.510815076,-0.27040321,-0.339100175
6962,C15 H22 O6,Toxin T2 tetrol,320.1235,9.119012,0.089127884,0.056818459,0.259555131,0.04203248,0.252437467,0.035517678,0.180992495,0.047969314,-0.081297601,0.202182477,-0.065597361,0.218074309,-0.11236477,0.151342606
6963,C45 H88 N O10 P,PS(17:0/22:0) Esi+14.289009,833.6003,14.289009,0.870290075,1.004674559,0.397950511,0.713871424,0.78885883,0.764188786,0.798228638,-0.301266233,-0.450663398,-0.123038037,-0.266988337,-0.350166277,-0.298035953,-0.303348914
6964,C44 H75 O9 P,"PG(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+9.297986",777.508,9.297986,0.288505587,0.255027946,0.299862761,0.314098375,0.165615232,0.279907028,0.187813996,-0.3538575,-0.270806362,-0.452936051,-0.372104118,-0.330868116,-0.280704756,-0.401021769
6965,<none>,<none> Esi+11.11302 :1,492.7798,11.11302,1.334324998,1.095434003,1.662091185,1.244277271,1.537005255,1.094992498,1.587731085,0.663485681,0.566201895,0.779543531,0.660411307,0.670429595,0.587188178,0.712677493
6966,C16 H28 Cl N O4,C16 H28 Cl N O4,332.1729,5.458007,1.476247831,1.4435882,1.435338166,1.481380051,1.433775799,1.510075088,1.429099157,1.924530277,1.829684741,2.037679338,1.922337087,1.937271518,1.984332052,1.88597387
6967,C22 H44 F N O,N-(2-fluro-ethyl)-eicosanoy amide; N-eicosanoyl-(2'-fluoroethyl)amine,374.366,13.237041,0.929137298,1.010988811,0.646718408,0.750127461,0.951436078,1.061087737,0.741566015,-0.440783388,-0.496061232,-0.374837889,-0.393627461,-0.483952974,-0.531302356,-0.382422474
6968,C10 H27 N4 O3,C10 H27 N4 O3,251.2093,6.586022,0.228945971,0.141287145,0.329896385,0.14464984,0.317166841,0.147393906,0.295032156,0.120373994,0.064926564,0.186521805,0.08073132,0.159910075,0.107625312,0.128593539
6969,C23 H44 O,7Z-Tricosen-11-one Esi+16.862043,353.3653,16.862043,0.137273972,0.207087768,0.036901752,0.033237642,0.137750099,0.322232627,0.030384658,0.129307268,0.151279415,0.103094882,0.067576821,0.188636767,0.195118909,0.086876079
6970,C43 H70 O4,1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol,650.5209,15.299,1.582045341,1.701290304,1.219771135,1.587628495,1.375759373,1.628922079,1.433623687,-1.272764877,-1.456413422,-1.053675385,-1.350247966,-1.154577687,-1.395407395,-1.193692727
6971,C35 H56 O10,Madlongiside C Esi+14.576971 :1,636.3855,14.576971,0.251719676,0.09905998,0.57262612,0.203593975,0.306951541,0.43348887,0.170250474,0.310136725,0.198253857,0.443611025,0.320944357,0.272701391,0.424493269,0.236406848
6972,C40 H13 N12 O10 P,C40 H13 N12 O10 P,852.0615,13.29597,1.144847961,1.004102668,1.38320661,1.145599781,1.166465816,1.176450688,1.174495551,0.578465354,0.558817734,0.60190462,0.580403192,0.559247827,0.600259999,0.564413544
6973,C15 H24 O5,Dihydroartemisinin Esi+7.90699,306.1439,7.90699,1.031881479,0.755096076,1.220423802,0.815128685,1.284341856,0.491910904,1.318855626,0.93061655,0.706392866,1.198111471,0.666989892,1.271031821,0.469735851,1.227763317
6974,C29 H46 N O4,Cervonyl carnitine Esi+7.7189946,471.3402,7.7189946,0.772153845,0.595686995,1.011676611,0.817018474,0.731785161,0.592593625,0.850153643,-0.467301546,-0.300546857,-0.666236966,-0.382626239,-0.608143027,-0.276490365,-0.590324545
6975,C15 H23 N8 O,C15 H23 N8 O,331.1996,6.151987,0.278092279,0.535641575,0.029043491,0.479298911,0.095675601,0.288977562,0.31543351,-0.273422622,-0.617082118,0.136557127,-0.340169212,-0.09784621,-0.210079308,-0.31426239
6976,C41 H73 N O9,"bacteriohopane-31,32,33,34-tetrol-35-cyclitol",745.5167,10.839012,0.157580198,0.051017354,0.35263652,0.186237988,0.211398798,0.276199766,0.152098286,0.143961247,0.050024045,0.256026681,0.233284369,-0.011052776,0.307096313,0.03878206
6977,C59 H79 N4 O3 P S,C59 H79 N4 O3 P S,954.5612,16.830029,0.264088492,0.597841651,0.480770788,0.305017929,0.179329885,0.365617238,0.164953918,-0.065978159,-0.19997526,0.093878031,-0.065969095,-0.076470991,-0.092945508,-0.048591316
6978,C15 H24 O7,"Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate Esi+5.603016",316.1506,5.603016,0.604770627,0.370995573,0.958734328,0.60097934,0.649368812,0.191503939,0.938172303,-0.545675482,-0.370992274,-0.754069486,-0.554937726,-0.552325326,-0.2820226,-0.715662209
6979,C50 H81 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) Esi+13.226016",871.5961,13.226016,0.639561191,0.707319933,0.319837633,0.712121993,0.308354818,0.54652614,0.542041028,-0.22007293,-0.308631922,-0.114423605,-0.225536238,-0.229570621,-0.192922486,-0.237577821
6980,C13 H14 N4 O,Diphenylcarbazide Esi+9.376979,242.1154,9.376979,0.283000295,0.353855183,0.104472854,0.260691656,0.138425097,0.357929196,0.155377152,-0.147707117,-0.321188277,0.059252863,-0.143732106,-0.146951623,-0.145155125,-0.14935248
6981,C24 H49 N O6 P,"PC(O-16:2(9E,10E)/0:0)[U] Esi+9.134012",478.3298,9.134012,0.772874952,0.803058099,0.775981427,0.997944958,0.474272033,1.080132541,0.587124144,-0.801914115,-0.750425997,-0.863338535,-1.028035572,-0.50999581,-0.943884454,-0.710380607
6982,C20 H35 N O,Clavepictine B,322.298,12.946029,1.34383074,1.632816355,0.925981641,1.36259714,1.259931511,1.624462191,1.199779566,-0.451546933,-0.585100874,-0.292219425,-0.440098901,-0.44811952,-0.555406673,-0.384584733
6983,C35 H77 N9 O11 S2,C35 H77 N9 O11 S2,863.5183,13.91096,0.472550503,0.812834492,0.309584753,0.345211315,0.480569598,0.54364186,0.356677109,-0.134525123,-0.317492018,0.083751174,-0.08239597,-0.210405381,-0.185720921,-0.101517305
6984,C31 H2 N3 O14 P,C31 H2 N3 O14 P,670.9284,9.969977,0.179749289,0.253624314,0.133895927,0.193569291,0.200446201,0.210985188,0.111440521,0.09653927,0.135100189,0.05053677,0.128375614,0.065798882,0.178284094,0.043835371
6985,C44 H85 N15 O9,C44 H85 N15 O9,967.6642,11.027014,0.394965487,0.299307177,0.494508403,0.348845999,0.385669214,0.547627899,0.289782718,0.207218151,0.204680398,0.210245646,0.220450152,0.158265043,0.318389116,0.135542134
6986,C26 H42 N2 O6 S,Leukotriene D4 methyl ester Esi+11.520997,510.2809,11.520997,1.093426323,0.969992169,1.343031435,1.060256835,1.117321803,1.158589234,1.089064568,1.362250504,1.20860304,1.545549231,1.417212273,1.267282121,1.407462696,1.333100537
6987,C17 N O17 P S,C17 N O17 P S,552.8642,11.135007,0.861612377,0.975471453,0.624030718,0.755012802,0.848166262,0.818324324,0.846840581,0.954940748,1.124841413,0.752252236,0.975135033,0.89991642,1.069180685,0.881286052
6988,C20 H20 O5,"1-Hydroxy-3,5-dimethoxy-2-prenylxanthone Esi+0.87899864",340.1345,0.87899864,0.154551244,0.18206275,0.070371932,0.426700592,0.141141738,0.393894474,0.052710662,-0.025680188,-0.143172504,0.114486084,-0.206324134,0.207435898,-0.242316696,0.113993351
6989,C20 Cl O19 S3,C20 Cl O19 S3,674.7916,12.319011,1.071889958,1.059837487,0.881640318,1.131957564,0.808900518,0.901598888,1.011423283,-0.523867425,-0.592602427,-0.441867774,-0.519602453,-0.533930562,-0.445119268,-0.574639263
6990,C13 H21 Cl N2,Mirasan,240.1356,7.1309886,0.280320355,0.078461441,0.363057822,0.253404597,0.230220049,0.116506427,0.300530179,0.034996342,-0.042529595,0.127483424,0.002167303,0.099197021,-0.032070933,0.078237084
6991,C20 H42 O4,C20 H42 O4 Esi+14.86103,346.3074,14.86103,0.548417881,0.415167558,0.655465746,0.452405072,0.692803044,0.211330193,0.677352226,0.325035985,0.302321221,0.3521343,0.290993504,0.346720573,0.2104522,0.398912372
6992,C30 H44 O4,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid Esi+8.395997",485.3552,8.395997,0.905035796,0.881805465,0.920198676,1.067358645,0.661601423,1.009306434,0.77174438,-0.622198877,-0.545695114,-0.713466525,-0.684245339,-0.555236292,-0.528943741,-0.682323899
6993,C33 H38 O15,Premithramycin A2',674.2239,6.3520093,1.617479628,1.539598645,1.55180739,1.563256786,1.539064551,1.344408626,1.674294417,-1.369982042,-1.373148034,-1.36620507,-1.269933939,-1.501639403,-1.25850986,-1.441852265
6994,<none>,<none> Esi+12.355973 :2,464.8132,12.355973,1.737949568,1.803923224,1.784793558,1.783625605,1.777553574,1.840770349,1.786554676,0.878397297,0.93257502,0.813764224,0.910763993,0.812889123,0.943691533,0.836299698
6995,C32 H48 O5,Ganoderic acid X Esi+15.205022,534.3279,15.205022,0.179648287,0.113272351,0.385930976,0.308917504,0.135783396,0.463817442,0.107109677,0.201883182,0.142272136,0.272998115,0.268342027,0.092907079,0.304298845,0.135852031
6996,C26 H37 N O6,Militarinone A Esi+10.499017,459.2627,10.499017,0.906252032,0.80012814,0.994771149,0.865347075,1.013416543,0.554878903,1.16673091,0.557882258,0.508294418,0.617039681,0.463897966,0.682070273,0.306613393,0.719884553
6997,C27 H44 N6 O9,C27 H44 N6 O9 Esi+12.086985,596.3256,12.086985,1.252939272,1.130783025,1.492997583,1.17768563,1.436157994,1.254912212,1.300300307,1.466255088,1.340035019,1.616833417,1.436459496,1.530669276,1.474200906,1.461132127
6998,C25 H49 N O3,C25 H49 N O3,411.3707,13.332014,0.760254133,0.737624972,0.685412561,0.604594122,0.86167281,0.569280216,0.789218663,-0.623134442,-0.681323027,-0.553716481,-0.581255366,-0.710967524,-0.625161067,-0.621827802
6999,C25 H51 N8 O2,C25 H51 N8 O2 Esi+14.967028,495.4127,14.967028,0.837151035,0.902274464,0.570582412,0.758041819,0.812161045,0.847759644,0.767191763,-0.556701264,-0.704635658,-0.380218126,-0.500730925,-0.638825947,-0.554115709,-0.558368266
7000,C30 H44 O5,21-Hydroxyisoglabrolide Esi+14.412041,484.3172,14.412041,0.643533628,0.865670561,0.134132999,0.743168995,0.495812777,0.562574125,0.550212291,-0.363516957,-0.554056992,-0.136206038,-0.36626182,-0.378346144,-0.33388505,-0.382621739
7001,C27 H52 O4,MG(24:1(15Z)/0:0/0:0),457.413,13.570006,0.68903567,0.628052016,0.669682874,0.554338564,0.769723031,0.513716145,0.737627113,-0.602834417,-0.640783554,-0.557561763,-0.556289968,-0.706737475,-0.570884099,-0.623433965
7002,C17 H20 O6,Conchosin B,342.11,8.432006,0.40296502,0.574751302,0.140088008,0.490344729,0.160427635,0.938477252,0.007083055,-0.345022641,-0.445623716,-0.225007324,-0.479542289,-0.123569209,-0.676123073,-0.131549995
7003,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+13.81299",375.3108,13.81299,0.647601212,0.889908155,0.180926303,0.521786,0.647340132,0.541169923,0.699069509,-0.43550592,-0.652131847,-0.17707499,-0.411360611,-0.459575647,-0.420728814,-0.445033265
7004,C33 H69 Cl N4 O4 S2,C33 H69 Cl N4 O4 S2,684.4449,14.211972,0.356765689,0.085047599,0.676372072,0.313763066,0.306377627,0.336519421,0.354461264,0.309153312,0.091660158,0.568618829,0.275584897,0.332427192,0.301469148,0.314107576
7005,C14 H6 O22 P,C14 H6 O22 P Esi+13.968995 :1,556.9072,13.968995,0.374405733,0.46386297,0.061058298,0.449593249,0.162614055,0.216385432,0.341993771,-0.127375358,-0.180115573,-0.064457206,-0.123031542,-0.146256052,-0.052745048,-0.175492268
7006,<none>,<none> Esi+7.7889724 :1,415.7585,7.7889724,0.234342051,0.336246011,0.010987628,0.160458475,0.292580625,0.272601687,0.16480565,0.070281523,0.204685015,-0.090059485,0.024952889,0.107096152,0.119993455,0.038230409
7007,C41 H63 O8 P,"PA(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",736.401,13.25701,1.83800122,1.61739649,1.977695587,1.767773693,1.846742092,1.7320533,1.80940049,2.269276185,1.999967157,2.590557131,2.175503052,2.382311448,2.112436734,2.370396358
7008,C27 H47 N O,"(16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl)propylamine",418.3896,13.391038,0.363221564,0.278766243,0.415002514,0.438585991,0.22082507,0.303645224,0.382367131,-0.473794233,-0.419691752,-0.538337544,-0.57855269,-0.328369336,-0.521413696,-0.443092211
7009,C34 H68 N18 O4 P,C34 H68 N18 O4 P,823.5402,13.100025,0.955190607,0.864876595,0.980714782,0.835390048,0.934790532,0.943584355,0.916065008,0.622957944,0.637290562,0.605859383,0.647206667,0.566891353,0.701422293,0.572369088
7010,C26 H38 O9,"7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate) Esi+10.772973",494.2484,10.772973,1.947920177,1.807372973,2.136496444,1.949025851,2.002041745,1.910092776,1.99150217,2.127909859,1.899647564,2.400222773,2.10689614,2.154981803,2.092407672,2.150799427
7011,C48 H85 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) Esi+10.025005",851.578,10.025005,0.107295902,0.035764647,0.16911996,0.252324253,0.043022715,0.096845716,0.080422786,-0.050402478,0.007179491,-0.119096756,-0.078312463,-0.029977391,-0.02906368,-0.064160387
7012,C45 H91 N O2 S5,C45 H91 N O2 S5,837.5652,8.654025,0.61010509,0.518072955,0.744964334,0.775342093,0.408455287,0.458625233,0.620301858,-0.296307063,-0.220651779,-0.38656249,-0.309886176,-0.297824519,-0.174999273,-0.374518665
7013,C47 H73 N2 O10,C47 H73 N2 O10,825.5341,12.974045,0.108948593,0.24415145,0.801002976,0.081263005,0.263492798,0.155103752,0.400603944,0.077453949,-0.052614524,0.232623357,0.074377086,0.080579686,-0.043351618,0.155341749
7014,C47 H84 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/19:0) Esi+14.242978",870.6028,14.242978,0.993566212,1.026094985,0.689946417,0.998206582,0.870512633,0.951917908,0.876781696,-0.769733694,-0.941354661,-0.564992891,-0.790790595,-0.750707969,-0.834674443,-0.727864
7015,C15 H26 N O2 S,C15 H26 N O2 S,284.1701,8.74598,0.257946878,0.309096339,0.149060895,0.184719336,0.266304928,0.119290394,0.348213015,-0.142900153,-0.165768369,-0.115618773,-0.094478655,-0.216690238,-0.055346805,-0.199349022
7016,C40 H76 O12 S,SQDG(16:0/14:0) Esi+14.512958,780.4995,14.512958,0.499068601,0.587679001,0.302377522,0.547968356,0.359888129,0.59919853,0.419861223,0.424887959,0.547924893,0.278107055,0.517838749,0.270070815,0.599000048,0.31263148
7017,<none>,<none> Esi+12.970966,643.449,12.970966,0.367793781,0.516295244,0.097333666,0.489397977,0.120080387,0.314619894,0.30015819,-0.267129467,-0.333703621,-0.187707669,-0.371958035,-0.155698976,-0.235871696,-0.287282504
7018,C20 H34,"3Z,6Z,9Z,12Z-eicosatetraene Esi+7.7600083",296.2456,7.7600083,1.113498402,1.034154902,1.075557074,1.049161948,1.160098027,1.026083549,1.132061086,-0.932999295,-0.998151575,-0.855273769,-0.959551391,-0.933266267,-0.948431801,-0.92304939
7019,C29 H59 N8 O3,C29 H59 N8 O3,567.4723,16.186024,0.531841168,0.634853554,0.342843636,0.541721279,0.443561682,0.543382328,0.508946854,-0.235810526,-0.293347617,-0.167169786,-0.263188484,-0.207509093,-0.247986181,-0.227960433
7020,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+6.135008",256.1311,6.135008,0.091867142,0.398675203,0.300206155,0.422662068,0.24430372,0.539016063,0.188605328,0.067130343,0.201719726,-0.09343243,0.219340446,-0.13978082,0.283134135,-0.07213526
7021,C41 H68 O12,Melilotoside B Esi+12.868973,752.4741,12.868973,1.402682487,1.36177177,1.279260421,1.361543259,1.276355989,1.201536399,1.451877027,1.155980997,1.225847416,1.072631584,1.145272192,1.149146555,1.060259672,1.217696062
7022,C43 H75 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",749.5091,9.534022,0.494757862,0.183181542,0.820782257,0.516839644,0.336506272,0.352873223,0.487205187,-0.327350079,-0.131010093,-0.561580238,-0.324196591,-0.360649485,-0.243503729,-0.38140891
7023,C21 N O7 P S3,C21 N O7 P S3,504.856,12.729003,1.016683634,0.900377394,1.209645801,0.897297584,1.06597991,1.010932968,1.03976337,0.605857503,0.585832059,0.629747507,0.580266378,0.616375364,0.662552415,0.569304205
7024,C10 H14 O4,C10 H14 O4,198.1064,4.749011,0.861011076,0.772460826,0.859988334,1.107806885,0.54209496,1.132858169,0.557561329,-0.422758164,-0.440455717,-0.401645295,-0.503704119,-0.308955805,-0.631443022,-0.288211348
7025,<none>,<none> Esi+14.895997,643.4657,14.895997,0.940726071,0.998180715,0.623257205,1.013654635,0.704027405,0.989954268,0.805060099,-0.778516695,-1.050044144,-0.454589213,-0.760707258,-0.809890703,-0.891087871,-0.705937911
7026,C23 H32 N4 O4,Nummularine F Esi+9.177985,428.2405,9.177985,0.279839982,0.166795667,0.442360725,0.09954022,0.499991531,0.065001147,0.449141421,-0.359589528,-0.171513525,-0.583960899,-0.147472647,-0.688513137,0.001013824,-0.592083794
7027,C28 H42 N10 O2,C28 H42 N10 O2 Esi+14.451976,550.3504,14.451976,0.677818758,0.568807012,0.671687575,0.447925786,0.980617217,0.340605277,0.793994247,-0.658165626,-0.570705071,-0.762504534,-0.329798145,-1.144101597,-0.354519474,-0.853937488
7028,C27 H37 F O4,AL 8810 isopropyl ester,444.2678,8.80799,1.098440548,0.765564588,1.212342104,0.791482606,1.165865901,0.757950141,1.134278439,1.394701306,1.151334517,1.685033616,1.244159518,1.573599931,1.211228162,1.512993202
7029,C38 H66 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/13:0) Esi+9.935033",712.4754,9.935033,1.192299588,1.24101764,0.964838668,1.285963224,0.961849872,1.287751608,1.008969283,-0.664369311,-0.741400855,-0.57247203,-0.686849696,-0.631159936,-0.723168406,-0.626459368
7030,C11 H13 Cl O3,2-Methyl-4-chlorophenoxybutyric acid,250.0392,14.093014,1.501125429,1.567886055,1.276167729,1.57309904,1.374775209,1.171292678,1.630521237,-1.066897993,-1.17455538,-0.93846462,-1.074948736,-1.05918589,-0.915215447,-1.164693319
7031,C33 H9 N3 O19,C33 H9 N3 O19,750.9824,10.734998,0.277708434,0.537399676,0.056263117,0.194396832,0.298764207,0.514687401,0.145968804,0.178241139,0.316218189,0.013636938,0.207455839,0.110681676,0.332589827,0.078726853
7032,C32 H63 N2 O6 P,"PE-Cer(d14:2(4E,6E)/16:0) Esi+9.995999",624.4233,9.995999,0.66353709,0.521909899,0.620764456,0.601580519,0.560092943,0.42083865,0.66093302,-0.513907342,-0.485713538,-0.547542054,-0.529836197,-0.47272133,-0.393986098,-0.591224985
7033,C43 H81 O9 P,"PG(P-20:0/17:2(9Z,12Z))",397.2707,8.619008,0.542965308,0.414923953,0.651543509,0.598935619,0.362463396,0.415694175,0.518760912,-0.354577183,-0.261468462,-0.465654252,-0.365120623,-0.362409368,-0.2202294,-0.441196148
7034,C10 H10 O2,2-Phenylbutyrolactone,162.0679,12.992982,1.658870196,1.779568814,1.525191139,1.605909967,1.774195344,1.805238384,1.677014116,-0.92544508,-1.104896119,-0.711363139,-0.939249364,-0.898767451,-0.988453826,-0.88482102
7035,C35 H69 Cl2 N6 O2,C35 H69 Cl2 N6 O2,675.4762,10.08799,0.389950124,0.374930444,0.355961066,0.364749296,0.35555379,0.581947182,0.242912545,0.291864288,0.282229967,0.303357865,0.304877915,0.265628808,0.436412542,0.198668704
7036,C18 H38 N20 O7 P S,C18 H38 N20 O7 P S Esi+6.3020015,709.2715,6.3020015,2.005594063,1.90766798,1.912546334,1.876213894,2.068605767,1.845729651,2.021708317,2.089843992,2.228016901,1.925006137,1.969651911,2.243382184,2.088089896,2.090974923
7037,C30 H30 O19,Apigenin 7-glucuronide-4'-(6''-malonylglucoside),694.1379,13.124018,0.768841916,0.791395775,0.546182725,0.709496057,0.576059965,0.715392076,0.66616055,-0.44622648,-0.54645065,-0.326660803,-0.400263073,-0.536409285,-0.448690244,-0.444638
7038,C11 H22 N6 O5,Ser Arg Gly Esi+4.708995,318.1664,4.708995,0.551047187,0.682722385,0.368139297,0.706220634,0.238609149,0.780707718,0.347568894,0.273279119,0.42842814,0.088189058,0.435468697,0.04272894,0.524189948,0.111507663
7039,C17 H30 O4,8E-Heptadecenedioic acid Esi+7.74698,298.212,7.74698,1.812074219,1.854860035,1.742768432,1.759801326,1.952875791,1.905716324,1.781250721,1.9568215,1.866782104,2.06423692,1.775214787,2.233238206,1.890298551,1.999711296
7040,C15 H28 N7 O3,C15 H28 N7 O3,354.2249,5.41199,0.358924066,0.238324541,0.601172686,0.398307282,0.45000694,0.173272427,0.533189413,-0.200904835,-0.121692667,-0.295403561,-0.180846233,-0.246361597,-0.083007927,-0.276917314
7041,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.1689935 :1,258.1441,5.1689935,0.194972996,0.392720755,0.108057517,0.264083503,0.009425167,0.265807077,0.103304766,0.102007931,0.201747531,-0.016979662,0.17269245,-0.017424338,0.184535256,0.048799524
7042,C42 H71 O8 P,"PA(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",733.482,9.302984,0.294551093,0.299774956,0.342307383,0.39165324,0.180060303,0.453645845,0.144809895,-0.257250899,-0.232297193,-0.287020232,-0.292074094,-0.218488861,-0.297304413,-0.231426923
7043,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.576982",550.3109,12.576982,1.121256625,0.87788245,1.325588198,1.03438956,1.190378986,0.834472337,1.261111195,1.493510445,1.159177762,1.89236347,1.310470043,1.766984158,1.121227591,1.733534916
7044,C30 H56 N2 O S2,C30 H56 N2 O S2,522.3611,15.913993,1.83844575,1.794506752,1.631626495,1.776270071,1.674526095,1.767598725,1.733275199,1.14673685,1.223617943,1.055019054,1.155422682,1.131230277,1.14405691,1.148464706
7045,C12 H8 O3,5-Methylangelicin Esi+3.9119914,222.0295,3.9119914,0.039694419,0.233306391,0.398602558,0.09491449,0.100673383,0.005592009,0.046588799,0.001230404,-0.260710424,0.313721216,-0.080065514,0.096817679,-0.081109224,0.054317795
7046,C12 H24 O8,C12 H24 O8 Esi+4.304002,296.1422,4.304002,0.971532466,0.793677393,1.082949553,0.96847462,1.097998942,1.148546992,0.868774118,0.697844531,0.655317323,0.748578744,0.660401405,0.760782047,0.771421052,0.650407038
7047,C53 H72 N13 O4,C53 H72 N13 O4,954.583,15.873032,1.883871848,1.946762562,2.01562946,1.881778821,2.14253656,2.009364697,1.954414356,-1.11158496,-1.225039634,-0.976235526,-1.08174691,-1.158449233,-1.121894013,-1.104938335
7048,C30 H38 N17 O,C30 H38 N17 O,652.3416,12.500983,0.983809709,0.978876055,0.873969272,0.91795557,1.025061239,0.691016092,1.099196774,-1.173217654,-1.364876195,-0.944572378,-0.996769149,-1.432258277,-0.947860937,-1.318513433
7049,C39 H48 O7,"(3S,5R,6R,6'S)-6,7-Didehydro-5,6-dihydro-3,5,6'-trihydroxy-13,14,20-trinor-3'-oxo-beta,epsilon-caroten-19',11'-olide 3-acetate",628.3463,13.260988,0.566212735,0.477922949,0.782183075,0.70427902,0.434325087,0.746111647,0.533312582,0.385166836,0.360437067,0.414669016,0.4702639,0.271011128,0.446159317,0.345842736
7050,C27 H62 N19 O3 P,C27 H62 N19 O3 P,731.5023,10.125983,0.815833709,0.812680519,0.629893864,0.567753429,0.828542033,0.898733011,0.659006903,0.334987748,0.376599921,0.285345156,0.293119652,0.37146537,0.437626943,0.268812478
7051,C31 H58 Cl2 N3 O3,C31 H58 Cl2 N3 O3,590.3855,11.373026,1.326858591,1.353375607,1.219469351,1.311424149,1.29757967,1.306533882,1.334546171,1.133730776,1.213284573,1.038824492,1.149188167,1.08302782,1.169600698,1.110604116
7052,C21 H39 N O6,Sphingofungin F Esi+13.804988,401.2794,13.804988,0.162081381,0.129753923,0.702483874,0.353138059,0.047374635,0.012128281,0.332868241,0.071527193,-0.129888115,0.311812123,0.172899298,-0.07995011,-0.009353738,0.123674109
7053,C14 H26 N6 O7,Ser Arg Glu Esi+5.5209966,390.1868,5.5209966,0.568892801,0.25068442,0.972547255,0.472919627,0.746136145,0.319807035,0.746449005,-0.355163102,-0.148498369,-0.601710502,-0.254389705,-0.515033837,-0.150198893,-0.487311078
7054,C32 H46 Cl N6 O11 P S5,C32 H46 Cl N6 O11 P S5,916.1245,13.111022,0.218342886,0.259864801,0.026339407,0.213732362,0.022415365,0.101439003,0.180297682,-0.033819919,-0.091748146,0.035287439,-0.026849474,-0.061861619,-0.00059619,-0.055240482
7055,C7 H11 N O3,C7 H11 N O3,157.0813,0.8439985,0.032797726,0.344284943,0.455918197,0.413285859,0.441044849,0.555164949,0.426513992,-0.027177444,-0.185517455,0.161719412,-0.161604571,0.176934782,-0.29910405,0.148143658
7056,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+16.521976",565.455,16.521976,1.737929033,1.964637209,1.684341736,1.92123399,1.925128261,1.989875664,1.85452485,-1.411986044,-1.591619558,-1.197686412,-1.285966246,-1.572848968,-1.1728553,-1.566162444
7057,C19 H O11 P S3,C19 H O11 P S3 Esi+9.60899,531.8416,9.60899,0.526349968,0.671926412,0.276474946,0.421129955,0.54354023,0.660181991,0.442840696,0.234049331,0.341771848,0.105538258,0.223116926,0.226718375,0.334988718,0.16896999
7058,C24 H43 N,C24 H43 N,345.3391,13.008037,0.852646478,1.115417476,0.340070752,0.787336268,0.86854698,1.05687157,0.712559848,-0.232815512,-0.352210295,-0.090379631,-0.178686241,-0.300250325,-0.279125745,-0.202957598
7059,C31 H56 N7 P,C31 H56 N7 P Esi+15.1330385,557.4316,15.1330385,2.211368365,2.300651814,1.996054625,2.262377526,2.096954161,2.291190425,2.126517071,-2.286240343,-2.595143483,-1.917724316,-2.304703237,-2.218303989,-2.499027605,-2.149048556
7060,C18 O20 S,C18 O20 S Esi+11.3989935,567.8705,11.3989935,1.557886904,1.595173429,1.550411697,1.629359668,1.474488828,1.65830953,1.533554314,0.881997073,0.943776254,0.808295594,0.92449304,0.793662772,0.98014862,0.818715155
7061,C16 H24 N6 O4,C16 H24 N6 O4,364.1862,12.316991,1.969922611,1.71266269,2.089486096,1.888343332,1.983157845,1.792259292,1.997995691,2.226316017,1.980087399,2.520062438,2.149044129,2.33369686,2.095916124,2.310389632
7062,C29 H61 N8 O4 P S,C29 H61 N8 O4 P S,648.4264,12.2539835,1.472341277,1.436171023,1.579282269,1.476656279,1.453373296,1.481000832,1.521286716,0.759992384,0.783249135,0.732247488,0.787461959,0.697034859,0.805716195,0.730512559
7063,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+6.2070007",278.1125,6.2070007,1.200050653,1.244749653,1.104882702,1.097151347,1.295889445,1.132797779,1.229416757,-0.88539106,-0.991779856,-0.758471092,-0.797657475,-1.014013272,-0.792020753,-0.945590336
7064,C33 H42 O5,Hypercalin B Esi+9.982012,540.3243,9.982012,1.927177353,1.850554177,2.008643068,1.912270351,1.980918751,1.874106639,2.002449614,2.305519804,2.210042799,2.419422195,2.209680319,2.411745622,2.168242408,2.394027598
7065,C36 H66 N O8 P,"PE(18:3(9Z,12Z,15Z)/13:0) Esi+13.979984",688.4833,13.979984,1.224268105,1.268723739,1.072087262,1.334662814,1.077090414,1.335427422,1.106715973,-0.822244085,-0.967913597,-0.648462913,-0.85758646,-0.777391426,-0.959621109,-0.733672056
7066,C20 H51 N9 O2 P S,C20 H51 N9 O2 P S,512.3773,14.169981,0.368157197,0.487354028,0.229162263,0.588322285,0.213045088,0.330976223,0.342416885,-0.300384447,-0.292588577,-0.309684783,-0.35650856,-0.232757758,-0.221235744,-0.351414531
7067,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+6.7270093,238.12,6.7270093,0.367840996,0.274423071,0.577299269,0.470306427,0.310175677,0.637234542,0.203577651,0.378205298,0.257120679,0.522657124,0.346333844,0.444390365,0.597102903,0.237073947
7068,C19 H18 N8 O19 P S,C19 H18 N8 O19 P S Esi+14.077951 :2,725.0145,14.077951,0.578505085,0.677414755,0.244713078,0.656353465,0.329024411,0.414274755,0.534775611,-0.205730496,-0.279334525,-0.117922181,-0.200340814,-0.226304931,-0.131946797,-0.253301565
7069,C14 H23 N2 O3,C14 H23 N2 O3,266.1727,5.163001,1.115618495,1.203740085,1.161378393,1.095269785,1.294233975,1.011485307,1.192764028,-0.544332504,-0.576855052,-0.505533675,-0.470851355,-0.630151585,-0.38075949,-0.649794053
7070,C35 H58 O4,(5-D-ribonyl)hopane Esi+12.808031 :1,541.4184,12.808031,0.114633002,0.152035734,0.034042743,0.142268568,0.013909224,0.05135236,0.091036757,-0.01295617,-0.024304409,0.00058208,0.020372766,-0.078210113,0.078559628,-0.071959777
7071,C41 H62 N10 O3,C41 H62 N10 O3,742.4991,13.636978,0.97841654,0.876159606,0.97138449,0.81217595,1.073436521,0.91505917,0.985609343,0.925274671,0.997777188,0.83878044,0.863240281,0.993832444,0.962425537,0.901322138
7072,C13 H16 N2 O7,Ser-Abu-OH,312.0955,10.315997,0.793521025,0.750466996,0.792515754,0.691321479,0.847970075,0.689311912,0.817534385,0.556289248,0.650208034,0.444245784,0.592936269,0.498034881,0.598118622,0.529320309
7073,C25 H54 N9 O2 S,C25 H54 N9 O2 S,544.4095,15.080025,0.42186976,0.61604056,0.013848327,0.414042512,0.299055829,0.446257519,0.261712365,-0.091093768,-0.250114763,0.098615491,-0.058997153,-0.129973201,-0.134259032,-0.063263531
7074,<none>,<none> Esi+11.465009,559.7006,11.465009,0.878736892,0.998384773,0.739661146,0.806572048,0.87735331,0.934568933,0.864020991,0.546837451,0.634944846,0.441726874,0.557897611,0.508362556,0.639412283,0.487151045
7075,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+5.866986",298.1393,5.866986,0.869394571,0.902280391,0.647336805,0.673270886,0.950721929,0.980332701,0.745825888,0.718721243,0.791544105,0.631844846,0.638728272,0.821592842,0.879743447,0.614904295
7076,C12 H23 N3 O7,6'-Dehydro-6'-oxoparomamine,338.1736,6.738005,1.023680511,1.121186975,0.785230263,0.971361837,0.970191273,1.268791836,0.798817747,0.582066953,0.706475699,0.433649502,0.562349441,0.60512606,0.780768489,0.453956753
7077,C23 H43 N O3 S,N-oleoyl methionine Esi+10.237033,413.2896,10.237033,0.307706576,0.1769289,0.645720978,0.528940125,0.267451146,0.397804676,0.273427111,-0.211642544,-0.071600797,-0.378709891,-0.178354818,-0.273057458,-0.175138414,-0.235178101
7078,C46 H81 O9 P,"PG(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+10.027003",807.5515,10.027003,0.205573256,0.142097938,0.280366304,0.398592266,0.009334584,0.233186916,0.154883634,-0.100465894,-0.034173252,-0.179551853,-0.13950692,-0.063916233,-0.094134845,-0.104547755
7079,C20 H47 Cl N15 O2,C20 H47 Cl N15 O2,564.3739,12.712978,0.055328551,0.339425621,0.298753379,0.047950779,0.069243672,0.010317564,0.069113026,0.132757851,0.50661613,-0.313248517,0.273821867,-0.087747524,0.18483784,0.099179963
7080,C22 H40 N2,C22 H40 N2,332.3191,12.435038,0.440144846,0.51522629,0.420321801,0.543657275,0.401854332,0.802309128,0.273359829,-0.274668743,-0.300317954,-0.244069685,-0.285182689,-0.233317217,-0.40150942,-0.192889886
7081,C32 H54 N7 O5,C32 H54 N7 O5,616.4186,13.791014,0.201411042,0.331219954,0.030942212,0.349270184,0.014533265,0.08429645,0.165173515,-0.043310855,-0.170330477,0.108221325,-0.045073136,-0.036429957,0.05475905,-0.106540136
7082,C9 H20 O4,C9 H20 O4 Esi+4.8020015,192.1356,4.8020015,0.75778983,0.976187477,0.449832383,1.081552157,0.266846283,1.122378177,0.417051688,-0.515049459,-0.685230061,-0.312026986,-0.712208101,-0.172099347,-0.844997719,-0.302319659
7083,C23 H20 N10,C23 H20 N10,434.1803,11.778009,0.248537563,0.147899095,0.411654109,0.31703139,0.1353207,0.268531419,0.271315737,0.153195104,0.089403007,0.229297957,0.192554549,0.094561601,0.138983693,0.162357724
7084,C41 H62 N13 O9,C41 H62 N13 O9,880.4794,11.125982,1.302493346,1.062740704,1.583338051,1.251912973,1.343569298,1.192905057,1.410985563,0.663959574,0.563794615,0.783454613,0.701953965,0.606543,0.653497315,0.670704978
7085,C12 H24 O3,xi-5-Hydroxydodecanoic acid,233.1986,6.7469835,1.720190676,1.838945306,1.606802006,1.771525314,1.795227285,1.784294146,1.752049516,0.684561197,0.704316193,0.660993833,0.687662083,0.691710333,0.681796362,0.686343788
7086,C18 H49 N16 O P,C18 H49 N16 O P,536.407,14.737043,1.349274845,1.562988314,1.065942253,1.379118382,1.334569308,1.366397973,1.309398659,-1.072675583,-1.260386822,-0.848739367,-0.899981775,-1.328079723,-0.936663384,-1.160367658
7087,C14 H28 N6 O4,Val Ala Arg,344.2178,8.696021,0.052417501,0.171162305,0.136999954,0.098414804,0.023109813,0.052418669,0.008664019,-0.008440315,-0.003312995,-0.014557118,-0.004132881,-0.031198666,-0.051814208,0.019524432
7088,C27 H30 N10 O24 P,C27 H30 N10 O24 P Esi+12.791014,909.1162,12.791014,0.303213994,0.283533791,0.218167634,0.258758157,0.111750262,0.129548271,0.343226806,-0.078511162,-0.090657187,-0.064021167,-0.030217472,-0.170204383,-0.00236617,-0.127604644
7089,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.527001,314.2089,9.527001,0.804719563,0.773797091,0.673924551,0.812430094,0.598484604,0.872811543,0.673623719,0.567165177,0.593200273,0.536105765,0.632842724,0.466985757,0.687256575,0.489737828
7090,C27 H32 O8,"8?-Hydroxycarapin, 3,8-Hemiacetal Esi+10.006993",484.2085,10.006993,1.568684511,1.45355436,1.720212777,1.536508869,1.616712763,1.539921168,1.596425188,1.553408496,1.452757095,1.673483851,1.538422595,1.578554901,1.52111078,1.574232023
7091,<none>,<none> Esi+13.83904,532.7104,13.83904,0.459711592,0.537671324,0.148620878,0.495576222,0.222913376,0.280360681,0.409320465,-0.145130278,-0.19803073,-0.082020966,-0.124168763,-0.187520832,-0.071525353,-0.192586084
7092,C22 H51 N3 O3 P,C22 H51 N3 O3 P,436.3656,12.483966,0.368267086,0.071633644,0.804227233,0.17047534,0.536733908,0.096307724,0.645996477,0.333244543,-0.081268487,0.827751316,0.208868345,0.521860903,-0.054205112,0.583047611
7093,C52 H107 N4 O S5,C52 H107 N4 O S5 Esi+14.309026,963.705,14.309026,0.236302043,0.246221513,0.100588163,0.33298341,0.002523928,0.008551052,0.25838587,-0.08220464,-0.104678354,-0.055393893,-0.081442259,-0.097773271,0.03892305,-0.160300125
7094,C20 H32 O5,?-12-PGD2 Esi+10.926017,352.2236,10.926017,2.023384656,1.890478023,2.218597434,1.866052861,2.311034399,1.670382355,2.307806835,2.188132972,1.994341922,2.419322293,1.937411797,2.525466118,1.882562899,2.385145256
7095,C35 H66 N O10 P,PS(12:0/17:1(9Z)) Esi+15.370049,690.433,15.370049,1.128608883,1.169557948,1.278624261,1.205714368,1.237088157,1.501738356,1.002604211,0.896028341,0.894940055,0.897326646,0.924556695,0.861605136,1.05879799,0.791084751
7096,<none>,<none> Esi+11.125,446.7773,11.125,0.837224427,1.160773883,0.189813365,0.882591407,0.693630754,0.950425486,0.719926253,-0.339634944,-0.544646876,-0.095059305,-0.364137152,-0.293740169,-0.422154533,-0.286431525
7097,C28 H37 Cl N4 O,Clocapramine,480.2697,13.042984,0.522379499,0.466996779,0.620977454,0.59421258,0.445628523,0.594349011,0.539735874,0.421877646,0.35775261,0.49837769,0.474646088,0.337533021,0.425708258,0.41940791
7098,C41 H70 O13,Pseudoginsenoside RT3 Esi+13.962967,787.5097,13.962967,0.555620557,0.678897268,0.283299658,0.641277681,0.390103854,0.522800738,0.53086781,-0.364646191,-0.55999882,-0.131593932,-0.366453949,-0.365595586,-0.380102677,-0.354680825
7099,C13 H37 N9 O S,C13 H37 N9 O S,367.2913,10.416993,0.876418999,0.803507202,0.849790907,0.775915328,0.955260235,0.917990009,0.8239736,-0.847664861,-0.834022402,-0.863940074,-0.776275615,-0.96712184,-0.897105051,-0.815788948
7100,C20 N2 O20,C20 N2 O20,587.9036,14.248028,1.43479238,1.498850365,1.253881303,1.304467591,1.472902294,1.510567394,1.331876028,0.842317112,0.891145515,0.784065684,0.7917152,0.898974308,0.922484846,0.790630021
7101,C10 H17 N5,C10 H17 N5,207.1372,5.317994,0.340873627,0.393065055,0.147575488,0.388351628,0.403748744,0.213473345,0.383528874,-0.156997299,-0.228168231,-0.072091625,-0.084286168,-0.274810598,-0.055794267,-0.222246622
7102,C16 H29 N O5,Butoctamide hydrogen succinate Esi+5.7750134,315.2037,5.7750134,0.341602604,0.620003302,0.056701187,0.629680661,0.075332336,0.374285247,0.275981839,-0.313165663,-0.560209969,-0.018446139,-0.46821425,-0.128321568,-0.320708049,-0.308302808
7103,<none>,<none> Esi+11.107002 :1,514.7932,11.107002,1.335458895,1.093930923,1.671506764,1.248951828,1.543340731,1.098871049,1.578163285,0.662721694,0.565506966,0.778697158,0.661787729,0.667048242,0.586723459,0.711720555
7104,C31 H53 N5 O3 P,C31 H53 N5 O3 P,574.3979,14.43996,0.369684634,0.243622315,0.522247065,0.349466626,0.357821375,0.502238228,0.304081408,0.456174546,0.379554158,0.547581325,0.470437585,0.419454347,0.55507037,0.392412765
7105,C36 H64 O6,C36 H64 O6 Esi+15.273976,592.4695,15.273976,0.709051893,0.876172077,0.387770843,0.743708876,0.609515156,0.637309529,0.66003376,-0.613536812,-0.928459474,-0.237839601,-0.563791363,-0.662465478,-0.656684203,-0.585718099
7106,C34 H46 O8,5-Oxoavermectin ''1a'' aglycone Esi+6.8629932,581.3169,6.8629932,1.173277488,0.995132928,1.212299508,0.925980901,1.26302958,0.834761458,1.204453872,0.807253204,0.642079811,1.004302164,0.599491626,1.098883946,0.555721984,0.969424648
7107,C28 H56 N2,C28 H56 N2,420.4437,13.977033,1.120252848,1.29602879,0.861972101,1.081464507,1.250588394,1.418321715,1.018221332,-0.417610138,-0.544179481,-0.266615132,-0.429895503,-0.398342817,-0.524007047,-0.349012131
7108,<none>,<none> Esi+13.702955 :2,764.4318,13.702955,0.047563906,0.30956554,0.343079386,0.169392918,0.071877427,0.134531568,0.05177771,-0.056656855,-0.297848153,0.231080133,-0.115407369,0.022441242,-0.219408324,0.048275014
7109,C31 H49 N4 O3 P,C31 H49 N4 O3 P,556.3733,15.183043,0.777345683,0.956366477,0.385902527,0.780698543,0.649846624,0.784157075,0.683656485,-0.795252539,-1.083337576,-0.451572145,-0.816020375,-0.770517157,-0.924958768,-0.711626155
7110,<none>,<none> Esi+11.559012 :1,501.8314,11.559012,1.432519359,1.382472683,1.53200047,1.487276922,1.361605222,1.453713631,1.453443602,0.766884025,0.781819205,0.749066618,0.791014601,0.704197319,0.81709176,0.734513249
7111,C38 H69 N O13,Clarithromycin Esi+13.629956,747.4795,13.629956,0.825304751,0.730365185,1.008339435,0.909566591,0.76093774,1.011699932,0.737111345,0.588699605,0.521627126,0.668715897,0.65265785,0.517039128,0.763268595,0.476148546
7112,C26 H48 N O9 P,"PS(20:2(11Z,14Z)/0:0)",548.2973,12.256023,0.860816479,0.869234468,0.578769791,0.890283371,0.619720172,0.742594012,0.742059743,-0.986434687,-1.171201096,-0.766011601,-1.028250732,-0.932648429,-1.036639346,-0.954065893
7113,C14 H12 N8 O3,C14 H12 N8 O3,340.1085,6.483002,0.161386838,0.212272315,0.048681211,0.021354711,0.32629619,0.283930252,0.094461272,0.263421095,0.348630693,0.161767539,0.149997441,0.388979085,0.395159034,0.178484792
7114,C35 H66 O8,Donhexocin Esi+14.248031,613.4748,14.248031,0.586014224,0.759451651,0.396274996,0.579563584,0.624522128,0.776600965,0.431532439,-0.286668848,-0.392264428,-0.160695174,-0.320206982,-0.245052866,-0.383870017,-0.223999673
7115,C43 H78 N O10 P,"PS(20:1(11Z)/17:2(9Z,12Z)) Esi+11.074974",799.5367,11.074974,0.468236685,0.405117308,0.441114943,0.578939369,0.29533876,0.238356314,0.532447409,-0.190740805,-0.187943396,-0.194078066,-0.213872987,-0.179318117,-0.080099399,-0.262075397
7116,C21 H26 F2 O5,Fluticasone 17-carboxylic acid Esi+8.75,396.1762,8.75,0.427422416,0.367688875,0.482525147,0.324734552,0.504953476,0.08622854,0.567543692,-0.362675344,-0.33020006,-0.401417789,-0.219657713,-0.576046661,-0.09077327,-0.537980629
7117,C44 H69 N15 O7,C44 H69 N15 O7,919.5493,10.975012,0.639676095,0.304344088,1.168344706,0.591037096,0.786967099,0.517050551,0.77079511,0.320120405,0.179496991,0.487881671,0.325326767,0.315574519,0.273365327,0.350265127
7118,C10 H20 O5,C10 H20 O5 Esi+6.0009866,220.1306,6.0009866,0.181264073,0.042719259,0.465942736,0.096472677,0.406828666,0.116854377,0.200151571,0.155900287,-0.00915497,0.352808314,0.046403931,0.288625064,0.145516387,0.16259517
7119,C40 H64 O13,Polypodoside C Esi+13.729003,752.4325,13.729003,0.35545031,0.462548864,0.183669556,0.354993473,0.356959761,0.258505436,0.360595494,-0.155183019,-0.248643099,-0.043686783,-0.139281329,-0.189470313,-0.137339165,-0.166687609
7120,C10 H10 N2 O,Indole-3-acetaldehyde oxime,174.0791,3.5449963,0.197534099,0.318940713,0.016239197,0.093720429,0.218369301,0.32420506,0.025912934,-0.084313504,-0.1343818,-0.024582906,-0.05614722,-0.111146249,-0.100423688,-0.073926675
7121,C14 H24 O3,L-Menthyl acetoacetate Esi+7.786989,240.1701,7.786989,1.345902063,1.261793036,1.459779812,1.281705261,1.587259477,1.167535721,1.512728513,0.721384041,0.619102072,0.843404637,0.586772159,0.926418288,0.560441357,0.82514972
7122,C10 H17 N O3,Neotussilagine Esi+0.8059998,199.1202,0.8059998,0.503004559,0.625254636,0.22700274,0.554026316,0.411192819,0.762808786,0.274604153,-0.303344602,-0.412007525,-0.17371164,-0.328076845,-0.262748495,-0.471853977,-0.194700399
7123,C28 H44 O5,Polyporusterone G Esi+14.497018,460.3177,14.497018,0.906419653,0.721682631,1.170815463,0.775945871,1.029257211,0.783923303,0.987934084,-0.396731084,-0.339881269,-0.464551917,-0.323436744,-0.486059299,-0.341959286,-0.43204448
7124,C17 H3 O23 P,C17 H3 O23 P,605.8785,8.848015,0.219519781,0.408801989,0.045303713,0.142593715,0.254084598,0.307119871,0.152040326,0.083437362,0.19192283,-0.045983897,0.065986833,0.085496367,0.165198732,0.030722795
7125,C34 H64 N17 O S,C34 H64 N17 O S,756.5142,14.327956,1.132369598,0.968967201,1.184082295,1.006541478,1.11487456,1.01432765,1.144925782,0.934029546,0.865373013,1.015935586,0.887101645,0.96568049,0.93921941,0.93068345
7126,C31 H54 N O4,Arachidonyl carnitine,526.3893,16.523975,1.19599978,1.337910459,1.17179452,1.319594667,1.416099871,1.274294892,1.273273979,-0.781745436,-0.908919286,-0.630029264,-0.700291298,-0.875026373,-0.677379378,-0.849034079
7127,C36 H50 O5,"11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrovitamin D3 / 11-(4-acetoxymethylphenyl)-1?,25-dihydroxy-9,11-didehydrocholecalciferol Esi+12.470966",584.3637,12.470966,1.317135269,1.323725298,1.184066115,1.362962886,1.132729985,1.506347652,1.131460978,1.328547238,1.471169687,1.158401159,1.415464011,1.165276145,1.581445553,1.165494377
7128,C30 H44 O4,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid Esi+15.207018",468.3217,15.207018,1.468547445,1.6101592,1.088793623,1.478531063,1.325791061,1.332421779,1.438457871,-0.678050929,-0.825617585,-0.502006496,-0.632449854,-0.74653577,-0.650431984,-0.69585788
7129,C24 H53 N O6 P,PC(O-16:0/0:0)[U] Esi+14.982968,482.3607,14.982968,1.140894869,1.169939023,0.976223842,1.246484355,0.892588306,0.967915584,1.110135885,-0.692683342,-0.762382949,-0.609532934,-0.736124621,-0.622880579,-0.579599506,-0.765592657
7130,C27 H48 O5,"5beta-Cholestane-3alpha,7alpha,12alpha,23,26-pentol Esi+14.115981",452.3498,14.115981,0.860061457,0.936506768,0.581754702,0.771246884,0.860399182,0.757911045,0.847431701,-0.595022547,-0.751937757,-0.407825454,-0.562936412,-0.645020085,-0.57260279,-0.609477391
7131,C18 H39 N O6 P,PC(O-10:1(9E)/0:0) Esi+7.7910094,413.2805,7.7910094,0.868507579,0.890014951,0.87515577,0.970900505,0.692471577,0.843436077,0.87288872,-0.542954376,-0.490824877,-0.605143954,-0.610999144,-0.470281637,-0.476893468,-0.585546277
7132,C19 H34 O12,3-O-(alpha-L-arabinopyranosyl-(1-6)-beta-D-glucopyranosyl) butyl 3R-hydroxybutanoate,471.2312,5.7399936,1.560554292,1.576133488,1.44365915,1.572349921,1.529537124,1.704131843,1.419971439,1.02805688,1.131753185,0.904349006,1.003000962,1.066094535,1.159947003,0.943022458
7133,C48 H72 N20 S2,C48 H72 N20 S2,992.5683,14.302982,0.880866853,0.857887461,0.817653741,0.899389399,0.72249346,0.914313484,0.76227288,0.58840447,0.617041053,0.554241528,0.66396297,0.465080136,0.68223438,0.52790887
7134,<none>,<none> Esi+7.1030183,448.6166,7.1030183,0.651274071,0.397288692,0.737855761,0.271111603,0.890582548,0.408657673,0.641995944,0.327349203,0.241433767,0.429844811,0.193133448,0.511496306,0.248532807,0.378165038
7135,C15 H17 N5 O4,HLo7,348.1559,10.649006,0.041124714,0.115823952,0.037107253,0.051543997,0.040467152,0.064736456,0.013782655,-0.031853905,-0.06268458,0.004926549,-0.02095127,-0.065123492,-0.039237671,-0.027093319
7136,C23 H43 N O3 S,N-oleoyl methionine Esi+8.260988,413.2981,8.260988,0.362855394,0.379224729,0.383034146,0.544800812,0.104051731,0.582623552,0.162247184,-0.272980221,-0.231778397,-0.322133273,-0.365057387,-0.144698826,-0.326102688,-0.238730209
7137,C30 H38 O4,Helilupolone Esi+7.1390114 :1,462.2804,7.1390114,0.37615936,0.674800107,0.090895085,0.405010963,0.139855932,0.641047585,0.148697787,0.138160054,0.302296694,-0.057652079,0.194390855,0.037195866,0.308728532,0.028188272
7138,C35 H58 N6 O7,N-Acetyl-leu-leu-leu-leu-tyr-amide,691.4678,8.967017,0.411345946,0.36724667,0.44746897,0.571161035,0.212003994,0.449504295,0.309808534,-0.205537913,-0.144784457,-0.27801572,-0.244171604,-0.178952604,-0.175596449,-0.224842277
7139,C16 H30 F2 O2,"Hexadecanoic acid, 2,2-difluoro-",292.2255,9.452987,0.188926308,0.177893633,0.192182282,0.193674748,0.141507601,0.179439924,0.178994174,0.05283484,0.078494973,0.022222753,0.073727857,0.010161469,0.087518896,0.030472752
7140,C21 H5 N2 O18 P S,C21 H5 N2 O18 P S,635.9011,12.827959,1.397496249,1.339939039,1.344232019,1.18388952,1.501184224,1.179132701,1.553226149,0.922000963,0.986008266,0.845641374,0.894024964,0.9366699,0.879898447,0.949146006
7141,C15 H22 N6 O5,Asn Pro His,366.165,7.6219854,0.289124944,0.029644291,0.653260534,0.138712863,0.308447861,0.273096817,0.242215057,0.410276084,0.093742764,0.787894781,0.420892044,0.346263578,0.516818036,0.341584562
7142,C26 H43 N O3 P S,C26 H43 N O3 P S,480.2698,11.866966,0.009388085,0.089154763,0.161998356,0.001767327,0.052618736,0.198182028,0.073144415,0.042902611,-0.053190003,0.157539415,0.047760447,0.029313809,0.176355051,-0.043139093
7143,C44 H86 N O9 P,PS(P-20:0/18:0) Esi+14.792981,803.5939,14.792981,0.432522913,0.484274516,0.238566961,0.299362426,0.498160963,0.433552164,0.383894159,-0.275961773,-0.383570395,-0.147586574,-0.242324884,-0.333366398,-0.296885022,-0.262471783
7144,C28 H62 N15 S3,C28 H62 N15 S3 Esi+12.508037,702.4727,12.508037,0.737044351,0.716979088,0.738584593,0.741489688,0.682683133,0.766600572,0.714168439,0.447386726,0.480476941,0.407910679,0.480308552,0.379302779,0.515129402,0.403710526
7145,C34 H66 N O8 P,PE(17:1(9Z)/12:0) Esi+10.004982,646.437,10.004982,0.588457653,0.610734655,0.452767377,0.722154487,0.300020083,0.515922976,0.559104587,-0.390347414,-0.406296468,-0.371320474,-0.475303233,-0.268484922,-0.319149705,-0.436251201
7146,C33 H68 Cl3 N6 O,C33 H68 Cl3 N6 O,669.4524,13.520016,1.445845037,1.35999971,1.596129431,1.396777413,1.500403989,1.465963132,1.465225783,0.648081869,0.655050571,0.63976833,0.642991331,0.640382523,0.679464218,0.627848512
7147,C24 H30 O6,Clausarinol Esi+11.54598,414.2047,11.54598,0.861949011,0.921879733,0.799820802,1.012380085,0.942219383,0.875693185,0.945536548,0.744624217,0.729385431,0.762803822,0.715647244,0.742478704,0.542269037,0.875090057
7148,C37 H60 O10 S,C37 H60 O10 S,696.3899,7.764014,0.157739288,0.140926105,0.564206351,0.026972627,0.33073471,0.189984741,0.348110008,-0.120052765,0.081199265,-0.360142907,-0.025328884,-0.274140295,0.097441955,-0.260279625
7149,C24 H49 N7 O3 P,C24 H49 N7 O3 P,514.3635,15.082018,0.793148697,0.945623979,0.464588611,0.816087741,0.632174311,0.656129436,0.750900352,-0.432868588,-0.601290827,-0.23194381,-0.412103569,-0.481337386,-0.343260984,-0.490641911
7150,C41 H56 O2,Vitamin K2 Esi+10.024002,602.4108,10.024002,0.86786766,0.844634789,0.739602869,1.089249624,0.539977945,0.829478334,0.740169427,-0.529397394,-0.522511339,-0.537612336,-0.612009922,-0.408585264,-0.434307634,-0.590705265
7151,C10 H20 N2 O2,C10 H20 N2 O2,200.1325,3.3200061,0.759015954,0.572264272,0.886522619,0.756601268,0.739359981,0.61983393,0.753621564,0.398390707,0.317372373,0.495044158,0.440864066,0.418035474,0.362572965,0.421483725
7152,C14 H22 O4,(-)-trans-C75 Esi+7.50302,276.1336,7.50302,0.534018502,0.544214114,0.438311997,0.475052719,0.502232889,0.608921477,0.470725926,0.34464775,0.372225382,0.311748119,0.352665983,0.307111631,0.419872324,0.296147696
7153,C18 H17 N3 O22 P S,C18 H17 N3 O22 P S Esi+12.129965 :1,689.9755,12.129965,0.876410548,0.717860774,0.97473197,0.847196934,0.714568387,0.862764813,0.832609922,0.631000398,0.571450852,0.702041962,0.64678652,0.585963008,0.696944577,0.588483756
7154,C14 H20 O3,"12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one",236.14,9.005998,0.55476561,0.508169015,0.531096974,0.475243733,0.512842565,0.399682466,0.546327942,-0.191220756,-0.167095773,-0.220001438,-0.17040474,-0.223123601,-0.128216123,-0.231842164
7155,C16 H32 N3 S2,C16 H32 N3 S2,330.2029,6.7559886,0.436074929,0.185168193,0.723851611,0.61195987,0.327125084,0.281079129,0.48827516,-0.120314507,-0.025625597,-0.233276714,-0.121325844,-0.136718639,-0.037375098,-0.173788599
7156,C25 H29 N8 O25 P,C25 H29 N8 O25 P Esi+13.230973,872.098,13.230973,0.042710912,0.119453805,0.202738274,0.049868186,0.150290786,0.087382429,0.058874152,0.04402736,0.002021409,0.094139722,0.052142139,0.016453894,0.097853342,0.009323766
7157,C34 H53 N11 O4 P,C34 H53 N11 O4 P,706.4307,14.011977,1.120360769,1.27223613,0.99823888,1.213797888,1.22971669,1.211790786,1.137383278,-0.645837306,-0.83202778,-0.423715338,-0.563213032,-0.773800359,-0.661340361,-0.635841916
7158,C35 H50 N9 O P,C35 H50 N9 O P,643.3887,14.014964,0.895612366,1.297107753,0.020128323,0.872900196,0.735878038,1.005499356,0.753822042,-0.318116181,-0.538608087,-0.055073207,-0.321417813,-0.304476368,-0.404466122,-0.262443193
7159,C29 H31 F2 N3 O,Fluspirilene,492.2701,13.907974,1.078075086,0.796387395,1.319984484,0.93447289,1.167771254,0.983013748,1.122390613,0.784456764,0.673783138,0.916488458,0.728839864,0.866896708,0.714291662,0.829694791
7160,C12 H20 N6 O4,C12 H20 N6 O4 Esi+6.1999893,312.155,6.1999893,1.973157367,1.933229286,2.104275961,1.911774658,2.132645117,1.894274944,2.06612963,2.572661198,2.473942413,2.690430977,2.46421591,2.689818812,2.477511641,2.634007623
7161,C31 H61 N P S2,C31 H61 N P S2,542.4104,15.788025,0.522596122,0.623225478,0.293908431,0.646440535,0.269339283,0.514265738,0.45379736,-0.294241929,-0.489667797,-0.061102298,-0.390118632,-0.180445759,-0.349323192,-0.25872901
7162,C51 H86 N6 O7 P S,C51 H86 N6 O7 P S,957.6062,14.415022,1.705522296,1.653178864,1.645168102,1.780329697,1.56572821,1.487307764,1.832331172,-1.212183059,-1.253148097,-1.163312487,-1.200228342,-1.233651482,-1.057329644,-1.312022761
7163,C11 H12 O5,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone Esi+0.90100086",224.0668,0.90100086,0.634664703,0.368535293,1.066705044,0.242841782,1.058280345,0.525811621,0.793042597,0.792062871,0.526598925,1.108756702,0.54980881,1.128317807,0.63566972,0.892895297
7164,C35 H54 O9,"2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol Esi+12.756028",635.4006,12.756028,1.25818024,1.471245527,0.995147419,1.45867349,0.983361978,1.470918771,1.104185392,0.986931128,1.196095883,0.737401246,1.137645779,0.74808113,1.21870267,0.837499477
7165,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.291014",278.2247,16.291014,1.48254629,1.585768364,1.22794735,1.553260915,1.347011565,1.552044566,1.362668695,-1.731036,-2.078173292,-1.316907301,-1.836168417,-1.60967564,-1.907910586,-1.616998438
7166,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+10.108984,285.2663,10.108984,1.773745325,1.75804354,1.766901096,1.778055751,1.892607241,1.92539312,1.80300156,-0.804954039,-0.858655204,-0.74088949,-0.831802209,-0.772420961,-0.826430859,-0.791107141
7167,C47 H68 O17,Bryostatin 1,904.4451,8.551019,0.299071102,0.386329061,0.126823411,0.291676858,0.310047547,0.30515028,0.245569367,-0.169346827,-0.222629858,-0.105781106,-0.159006991,-0.197202389,-0.192016761,-0.154730685
7168,C21 H33 Cl N S,C21 H33 Cl N S,366.2008,10.239993,2.156296098,2.109564692,2.132504101,2.166980732,2.138773902,1.990311428,2.235931417,3.243112516,3.194877414,3.300656146,3.223800494,3.260741069,3.130013933,3.316031339
7169,C38 H77 N8 O11,C38 H77 N8 O11 Esi+10.572017,821.5704,10.572017,0.357110427,0.29729221,0.424649548,0.29842709,0.373582788,0.450725426,0.301969251,0.182928053,0.191818954,0.172321365,0.197959319,0.132788316,0.279928267,0.120388441
7170,C20 H39 N14 O2 P,C20 H39 N14 O2 P,538.3161,12.202963,0.102160313,0.025963434,0.130159275,0.124532243,0.219899511,0.06172264,0.148603199,0.119830283,0.05696594,0.19482634,0.052982162,0.214175509,0.045089567,0.168018376
7171,C34 H56 O9,Torvoside G Esi+13.679987,625.4283,13.679987,1.360061094,1.328260592,1.406538783,1.330856163,1.297083892,1.336738404,1.35333429,0.833446267,0.892636375,0.762833507,0.898497828,0.725732109,0.902188734,0.789125466
7172,C11 H24 O11 P S4,C11 H24 O11 P S4,490.9964,12.916014,2.137869996,2.137943882,2.223395365,2.153900336,2.259754495,2.231972266,2.162240649,1.002207091,1.026129693,0.973667845,0.999025339,0.995059186,1.02561602,0.987114492
7173,C14 H24 O2,13-Tetradecynoic acid Esi+14.766032,224.1771,14.766032,0.233372558,0.353334111,0.202257252,0.396717956,0.019602444,0.556733419,0.120266464,-0.10848344,-0.201200089,0.002125894,-0.265612825,0.093227317,-0.308386804,0.020401623
7174,C21 H28 O2,"18-hydroxypregna-1,4,20-trien-3-one",312.211,10.758033,0.827380295,0.780994853,0.780739058,0.815590828,0.643703494,0.88121539,0.766197337,0.547125197,0.538118646,0.557869854,0.617796751,0.442442268,0.624680746,0.497122277
7175,C5 H9 Cl2 O3,C5 H9 Cl2 O3,186.9918,1.2660012,0.611012753,0.883596081,0.149722234,0.542028775,0.605819972,0.637284434,0.542356428,-0.264354465,-0.441076018,-0.053528754,-0.256924593,-0.262888983,-0.312725758,-0.233167711
7176,C7 H20 N6 O5,C7 H20 N6 O5,268.1376,4.4550037,0.112865851,0.120934425,0.056970245,0.171471179,0.04991733,0.261791964,0.116392865,-0.196892105,-0.355027065,-0.008239872,-0.283582403,-0.080995912,-0.374280008,-0.082523589
7177,C21 H34 O,3beta-Hydroxypregn-5-ene Esi+11.803973,301.2518,11.803973,1.270828988,1.441382338,1.003509329,1.178721272,1.432246945,1.395961724,1.231253517,-0.452703351,-0.550370995,-0.336187566,-0.389468568,-0.533741514,-0.462990422,-0.446070898
7178,C27 H48 O9,"27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol Esi+12.334978",516.3307,12.334978,0.609045113,0.413443929,0.739320325,0.42665208,0.685130484,0.519075485,0.652871043,0.634764874,0.457138892,0.846669554,0.56968265,0.721155803,0.582178505,0.668669243
7179,C20 H33 N3,Panamine,315.2675,12.126973,1.276980224,1.459266328,1.006279478,1.294954966,1.288059348,1.438409867,1.190501114,-0.499168523,-0.599462086,-0.379520062,-0.50267846,-0.482434391,-0.547516954,-0.467996509
7180,C38 H74 N O9 P,PS(P-20:0/12:0) Esi+9.0909815 :1,719.5018,9.0909815,0.689374711,0.644227879,0.731022736,0.880640017,0.436954937,0.763656801,0.602116872,-0.507397246,-0.438324636,-0.589799658,-0.571874398,-0.44075005,-0.448178625,-0.545577673
7181,C40 H60 O12,Avermectin B2b monosaccharide,732.4061,13.681961,0.486067288,0.246268409,0.709738744,0.400784874,0.467546322,0.524496409,0.421732836,0.311679614,0.202969778,0.441368543,0.325497349,0.282714461,0.35424906,0.284233524
7182,C13 H2 N O15 P S2,C13 H2 N O15 P S2 Esi+12.174008,506.8633,12.174008,0.258129488,0.322128976,0.151594619,0.444682433,0.049666642,0.087687968,0.306969648,-0.098506464,-0.073873037,-0.12789371,-0.139266802,-0.062841553,0.036559863,-0.185588701
7183,C12 H24 N2 O7,1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose,308.1593,6.7199802,0.669692485,0.600833637,0.648128463,0.517985115,0.788259442,0.438701878,0.767231512,-0.19645203,-0.196881706,-0.195939433,-0.102995868,-0.317754018,-0.121917438,-0.244507227
7184,C34 H67 N2 O7 P,"PE-Cer(d16:2(4E,6E)/16:0(2OH)) Esi+9.990987",668.4494,9.990987,1.009319955,1.060727031,0.802634291,1.134425092,0.658197011,1.091850804,0.848550712,-0.630546264,-0.704380488,-0.54246333,-0.717170643,-0.494835829,-0.706085539,-0.58184331
7185,C23 H47 N O4,C23 H47 N O4 Esi+12.416014,401.3524,12.416014,0.940694839,0.939489002,0.753525391,0.767729419,1.033790308,0.718010036,0.983474774,-0.96861953,-1.163045489,-0.736672772,-0.882165566,-1.116049518,-0.938401166,-0.988102423
7186,C24 H56 N17 S2,C24 H56 N17 S2,646.4505,12.22703,0.023384143,0.058832233,0.039571179,0.051629592,0.016453223,0.284300887,0.162741013,-0.04133252,-0.006877013,-0.082437337,-0.054194317,-0.075117709,0.255236867,-0.23254173
7187,<none>,<none> Esi+11.12101,470.7665,11.12101,1.310890019,1.048519348,1.698550488,1.228140719,1.479772332,1.077965143,1.534576908,0.627758759,0.522117611,0.753786795,0.630408154,0.627401383,0.55130639,0.677050419
7188,C49 H87 O12 P,"PI(P-20:0/20:4(5Z,8Z,11Z,14Z)) Esi+7.9150105",448.7927,7.9150105,0.592305322,0.469576422,0.720721686,0.799686537,0.323883321,0.730330206,0.489870958,-0.429837814,-0.342486696,-0.534046166,-0.556378577,-0.275288129,-0.503726714,-0.382198919
7189,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+15.0029955",278.2233,15.0029955,1.361447469,1.469624833,0.979102116,1.301198896,1.262586114,1.121906692,1.338274284,-1.235093041,-1.40429457,-1.033238584,-1.227694906,-1.267356842,-1.122213216,-1.307870822
7190,C28 H52 Cl N15,C28 H52 Cl N15,633.4218,12.759017,0.691261916,0.657186353,0.82137271,0.735872587,0.644679123,0.820290171,0.678152471,0.424216002,0.455955452,0.386351394,0.467478764,0.350720558,0.523539523,0.360178469
7191,<none>,<none> Esi+12.944017,660.783,12.944017,0.031332497,0.030638344,0.15496625,0.032804115,0.23750973,0.040515971,0.084144241,0.07841507,0.052405713,0.109443775,0.062770768,0.082490803,0.072192116,0.082427237
7192,C22 H26 O7,Clusin Esi+9.660991,424.151,9.660991,1.212857258,1.153113476,1.292645403,1.226332814,1.326273023,1.460820053,1.146247631,1.130763255,1.088249532,1.18148138,1.053504188,1.236906901,1.236087411,1.062856891
7193,C26 H48 N O9 P,"PS(20:2(11Z,14Z)/0:0) Esi+12.570006",548.2962,12.570006,2.076182976,1.833771551,2.142722849,1.9463974,2.065895769,1.840411775,2.095257196,3.437327684,3.194550715,3.726956349,3.331056004,3.578800217,3.255327405,3.55466997
7194,C5 H13 N7 O2 P,C5 H13 N7 O2 P,234.087,5.3140006,0.664850927,0.700462286,0.689570596,0.759872771,0.750788956,0.529363116,0.84260145,-0.703904149,-0.726644662,-0.676775115,-0.681899185,-0.756673136,-0.487273669,-0.8435738
7195,C26 H44 O8,Goshonoside F2 Esi+14.233957,506.2864,14.233957,1.329539583,1.101214801,1.508892736,0.955713732,1.566440037,1.038978455,1.461631151,1.023066719,0.941658107,1.120185765,0.846306945,1.269992467,0.851021582,1.133990558
7196,C38 H82 N25 O S2,C38 H82 N25 O S2,968.6583,14.279035,0.948956779,0.799651311,1.067306329,0.773133925,1.051050275,0.809530816,1.002179633,0.893174665,0.831024348,0.967318901,0.841357181,0.927667675,0.865370709,0.911100899
7197,C6 H14 O4,C6 H14 O4 Esi+1.9729979,150.0889,1.9729979,1.160356456,1.221793126,1.027019033,1.372796047,0.910215098,1.477782625,0.889261084,0.353692132,0.402359924,0.295632309,0.394145165,0.294059535,0.488619917,0.266699218
7198,C19 H18 N10,C19 H18 N10,386.1836,10.238015,1.286621203,1.281023317,1.570872009,1.273832429,1.547802154,1.332118019,1.421462008,1.234536758,1.031456865,1.476807507,1.088575636,1.473124906,0.980022993,1.398631159
7199,C23 H25 N2 O5,Bleekerine Esi+10.81201,408.1676,10.81201,0.534165682,0.281569998,0.792119397,0.354627289,0.820731732,0.206598063,0.76383152,-0.355119339,-0.097794646,-0.662103184,-0.007859818,-0.849677237,-0.020178897,-0.571067782
7200,C31 H63 N O3,Cer(d18:0/13:0) Esi+14.019028,497.4802,14.019028,0.401867637,0.559136372,0.025398855,0.516778401,0.124043128,0.395992144,0.251249095,-0.21349913,-0.382498626,-0.011885696,-0.294397894,-0.102127222,-0.314031753,-0.148682044
7201,C10 H16 O4,"2,6R-Dimethyl-2E-octen-1,8-dioic acid Esi+6.057006",200.1047,6.057006,0.882116639,0.950211739,0.79689143,0.772705364,1.013202183,0.792520474,0.960095713,-0.600432794,-0.715574023,-0.463071329,-0.517244231,-0.672920964,-0.681604705,-0.548098273
7202,C19 H43 N25,C19 H43 N25 Esi+11.7229805 :1,621.4119,11.7229805,0.460479684,0.380510248,0.605371771,0.450041418,0.427876291,0.55027505,0.435790492,0.25785768,0.245529514,0.272564965,0.284308305,0.194126973,0.331678372,0.21026276
7203,C36 H71 O9 P,PG(P-18:0/12:0) Esi+13.552001,677.4677,13.552001,0.773093299,0.807842599,0.487481023,0.599734096,0.76883221,0.650542031,0.674044054,-0.314681842,-0.445828277,-0.158226446,-0.238802982,-0.411645887,-0.322026983,-0.309946159
7204,C16 H14 F N3 O,7-aminoflunitrazepam,283.1093,16.268015,0.442177043,0.39175974,0.506192038,0.643203781,0.213217159,0.531171424,0.367654015,-0.189496212,-0.143250543,-0.244666484,-0.32100134,-0.012130014,-0.247589233,-0.152041502
7205,C31 H54 N3 O5 P S,C31 H54 N3 O5 P S,611.3519,12.874019,1.592231879,1.448324806,1.822171811,1.548450168,1.676342443,1.517052019,1.693217299,1.942839164,1.776205863,2.141629769,1.821860447,2.097556227,1.684355803,2.10949291
7206,C48 H79 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)) Esi+14.238023",894.5312,14.238023,0.338314814,0.187162917,0.437991072,0.305067365,0.280786655,0.35112742,0.281263662,0.216780474,0.17017466,0.272380392,0.239988087,0.16624239,0.248609782,0.196258946
7207,C20 H41 N O2,Stearoylethanolamide Esi+13.100026,327.3135,13.100026,1.140997058,1.000270239,1.172571823,1.047485086,1.10632202,0.916378589,1.170619568,0.763678454,0.720619078,0.815047535,0.762901576,0.770693188,0.69391566,0.808657098
7208,C48 H94 Cl3 N2 O2 P S,C48 H94 Cl3 N2 O2 P S,898.5835,11.737039,1.081398618,0.98710403,1.15972957,1.057968761,0.969326528,1.180732009,0.9877517,0.615560966,0.628403745,0.600239755,0.649186871,0.533432362,0.746963768,0.530840738
7209,C43 H73 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)",780.5028,14.516043,0.68279823,0.779175,0.488397338,0.656459944,0.614834356,0.623485008,0.673600392,0.489214036,0.606097827,0.349773724,0.508042892,0.436994625,0.530348979,0.462692822
7210,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+11.524989,508.2649,11.524989,0.956306969,0.887908241,1.174885552,1.009159702,0.930762605,1.110752104,0.952998543,1.301467122,1.184150769,1.441423474,1.412549691,1.135286986,1.398629872,1.238822718
7211,C26 H54 N O8 P,PS(O-20:0/0:0) Esi+6.248004,561.3355,6.248004,0.947180026,0.800141303,1.09729739,0.947587522,0.918114143,0.770311966,1.060410825,-0.462878317,-0.359982456,-0.585631272,-0.420342704,-0.532933524,-0.328352305,-0.549612192
7212,C15 H26 N10,C15 H26 N10,346.2278,8.984007,0.178853222,0.094993912,0.278424798,0.113508171,0.282048719,0.01066053,0.310126932,-0.101353344,0.08063002,-0.318456305,0.081182578,-0.401101201,0.092045118,-0.226044458
7213,C41 H70 N O3 S2,C41 H70 N O3 S2,686.5015,13.979984,1.017271243,1.263574188,0.59073609,0.932864274,1.046999026,1.013380638,0.972732943,-0.656149431,-0.900933994,-0.364125741,-0.531060417,-0.826279581,-0.62909954,-0.673589492
7214,C15 O23 P,C15 O23 P,578.8559,11.089022,0.401990677,0.712904265,0.302260016,0.440982147,0.200581685,0.461543338,0.280680926,-0.134530425,-0.310664672,0.075594643,-0.157525952,-0.098063611,-0.202429224,-0.090753567
7215,C15 H25 N5 O4 S,His Cys Ile,370.1554,14.583007,0.962057585,0.894770071,1.055318788,0.969386449,0.987836663,1.155531359,0.820888297,0.623551855,0.653445535,0.58788922,0.651749841,0.568538864,0.762224945,0.534144205
7216,C32 H48 O6,"(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid Esi+8.316012",545.376,8.316012,0.384626989,0.348642823,0.412907141,0.516540766,0.164185599,0.598730515,0.191977669,-0.249651885,-0.192294384,-0.318078377,-0.327211879,-0.164174268,-0.323435086,-0.202081136
7217,<none>,<none> Esi+12.200991,559.7011,12.200991,1.620969226,1.614211393,1.680567904,1.602802141,1.668913868,1.606181807,1.720966134,0.950283204,0.991867748,0.900673571,0.958173948,0.913737718,0.966004715,0.940146966
7218,C50 H89 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/19:0) Esi+14.93898",945.6381,14.93898,1.330051544,1.214294722,1.223697095,1.28950606,1.219349296,1.098583112,1.322900353,-0.921971732,-0.931139806,-0.91103438,-0.859373549,-1.043594142,-0.846444397,-0.970666987
7219,C37 H71 O10 P,PG(15:0/16:1(9Z)),706.4826,14.364991,1.114947732,0.981400773,1.265256639,1.205118452,1.096328621,1.089333385,1.151703829,0.872030875,0.776282072,0.986257518,0.870478224,0.864054254,0.819552638,0.905865528
7220,C25 H31 N O4,Acidissiminol epoxide,408.2127,10.155022,0.08228581,0.171994058,0.414545094,0.063733453,0.145100024,0.09143102,0.072005283,0.254784274,0.001340568,0.557138169,0.229481956,0.276217956,0.289936417,0.232120393
7221,C28 H42 O8,"14-O-(alpha-L-rhamnopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid",506.2859,13.3889885,0.565316502,0.517129666,0.585691665,0.778874864,0.321028744,0.60607638,0.433164732,0.44741983,0.358824969,0.553111945,0.575774225,0.257377658,0.430863511,0.458094299
7222,C20 H18 O5,Neoraufurane,338.1177,7.3349895,0.331450648,0.217182444,0.37403088,0.158748281,0.384335823,0.477835462,0.190377495,-0.343063184,-0.256205248,-0.446683176,-0.315726401,-0.33764827,-0.573962369,-0.194193972
7223,C17 H24 O7,8-Acetyl-T2 tetrol,340.1492,6.1359887,0.212012009,0.114013655,0.39573231,0.106376368,0.463826847,0.036032001,0.296926504,-0.138777497,-0.055683446,-0.237907243,-0.014264593,-0.312102036,-0.022185833,-0.213948439
7224,C20 H31 F O3,"11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one Esi+6.244011",338.2301,6.244011,0.441159342,0.234656318,0.727499552,0.402967477,0.436004191,0.230853999,0.501720309,-0.206174553,-0.09075101,-0.343872816,-0.149051863,-0.304107366,-0.076466746,-0.289801956
7225,C44 H72 N7 O4 S,C44 H72 N7 O4 S,794.5356,13.282974,0.946482263,0.918291928,1.053335365,0.912568107,0.921819608,1.062464826,0.941216132,0.569410353,0.589354646,0.545617161,0.599346101,0.503944634,0.682805818,0.496300119
7226,C20 H34 O8,Acetyl tributyl citrate Esi+9.823981,402.2255,9.823981,0.020114269,0.15941731,0.311535648,0.051078269,0.125690429,0.055953087,0.044276233,-0.020966708,-0.213688058,0.20894648,0.082822401,-0.157402492,-0.050341422,-0.002027748
7227,C12 H22 O6,Triethylene glycol diglycidyl ether Esi+5.4270015,262.1416,5.4270015,0.902844279,1.128600234,0.712753597,0.857603796,0.987784787,1.098959185,0.866329438,0.865467463,0.988253708,0.718985627,0.887548603,0.829360297,1.081648658,0.726087482
7228,C31 H61 N8 O P,C31 H61 N8 O P Esi+15.965025,592.4696,15.965025,1.211790619,1.328485698,1.032729478,1.23775767,1.116735564,1.254886632,1.133437432,-1.626493807,-1.856114468,-1.352560387,-1.762089957,-1.457023195,-1.725994066,-1.562342325
7229,C21 H28 O4,11-Dehydrocorticosterone,343.1896,10.381007,0.224950911,0.085006882,0.444820686,0.016515554,0.433174368,0.113450974,0.347488022,0.399693237,0.272652051,0.551251144,0.348412566,0.469970161,0.326159064,0.447103428
7230,C38 H60 N3 O12,C38 H60 N3 O12 Esi+13.44098 :1,750.4165,13.44098,1.570905576,1.51594072,1.711536381,1.672912192,1.579187528,1.732463939,1.541432331,1.309083106,1.172951346,1.471485907,1.318369244,1.284989915,1.240967767,1.352999574
7231,C36 H62 O10,Notoginsenoside R9 Esi+9.270013,654.4337,9.270013,0.456962103,0.336147109,0.561581511,0.636139947,0.177059496,0.486501615,0.366617192,-0.349217989,-0.314997958,-0.390041885,-0.445113542,-0.222132906,-0.355213958,-0.345352167
7232,C14 H21 N3 O3 P,C14 H21 N3 O3 P,310.1394,7.746979,0.527557284,0.344075445,0.726458963,0.457814654,0.535335328,0.399217438,0.584174599,-0.276850198,-0.180815914,-0.391417413,-0.307218695,-0.23088598,-0.23978587,-0.300746935
7233,C22 H38 N14,C22 H38 N14,498.3009,8.788975,0.887733001,1.057848764,0.577581162,1.056164959,0.608116674,1.062383444,0.682425432,0.528019407,0.673760146,0.354153262,0.62324387,0.374482042,0.681947131,0.428776533
7234,C9 H18 N2 O3,L-Leucyl-L- Alanine,202.1315,4.0430145,0.046715196,0.325393356,0.546822736,0.210669557,0.168129057,0.220619289,0.195802993,0.029123621,-0.08831089,0.169220933,0.035064794,0.034375721,0.000439721,0.047617189
7235,C20 H39 N O2,Oleoyl Ethanolamide,325.2975,14.252985,1.344697101,1.44347159,1.063595735,1.368696307,1.262082169,1.475922895,1.249474621,-0.645573008,-0.752943945,-0.517481365,-0.668887454,-0.605995785,-0.718142592,-0.598784724
7236,C43 H81 N O8 P,"PC(17:0/18:3(6Z,9Z,12Z)) Esi+16.024963",787.5984,16.024963,0.68983399,0.683739518,0.543354911,0.612753282,0.705936717,0.587638737,0.721548994,-0.257581013,-0.290563364,-0.218233646,-0.214897306,-0.324742228,-0.218079957,-0.283048799
7237,<none>,<none> Esi+13.540025 :1,456.8155,13.540025,2.087970938,2.173372399,2.12436483,2.154140205,2.184737038,2.276571381,2.09399196,1.038384908,1.094792377,0.971091787,1.051388096,1.006108199,1.103061823,0.996685319
7238,C46 H68 N10 O12,Microcystin RA,974.4879,14.154036,0.332807811,0.153740243,0.444946179,0.283700083,0.32883659,0.254771735,0.373675623,0.218499219,0.15774034,0.290983496,0.223395231,0.210059111,0.205665605,0.226773523
7239,C22 H33 N5 O4 S,Lys Trp Met,462.2179,14.57699,1.269588335,1.391748478,0.993127616,1.327933275,1.204881664,1.289507706,1.204507604,0.512824364,0.615173338,0.390723833,0.449364325,0.614238222,0.480589605,0.533607301
7240,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+9.177985,440.2088,9.177985,1.120133446,1.114263561,1.007409716,1.058849916,1.06397233,1.255696605,0.970385363,1.552599731,1.608588078,1.485806616,1.653461738,1.382122015,1.844215055,1.364584589
7241,C20 H52 N18 O6,C20 H52 N18 O6 Esi+13.36798,640.4353,13.36798,0.753638536,0.439023659,1.157393605,0.656423336,0.939887743,0.423576349,0.945359958,0.479233569,0.285588709,0.710248491,0.374668704,0.630883536,0.349179111,0.56308447
7242,C28 H42 O8,"14-O-(alpha-L-rhamnopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid Esi+11.1530075",523.3144,11.1530075,0.195148584,0.563457269,0.573631696,0.203525288,0.023571718,0.28748771,0.0429003,-0.022800765,-0.207995924,0.198133811,-0.044802938,0.015368572,-0.108561615,0.032492414
7243,C29 H31 F2 N3 O,Fluspirilene Esi+12.118978,492.2695,12.118978,0.403950811,0.207226915,0.677109052,0.401585651,0.373572253,0.582984803,0.323998907,0.343151441,0.178640139,0.539410538,0.378910365,0.282242087,0.398363467,0.307554214
7244,C12 H30 Cl N8 O,C12 H30 Cl N8 O,337.2291,8.112029,0.102951945,0.051237036,0.343970179,0.071950967,0.39925128,0.339007798,0.405955895,0.029123177,0.005480904,0.057327993,-0.041830054,0.141754379,-0.225863816,0.193522685
7245,C30 H42 N2 O2 S,Thiobinupharidine,511.3189,12.200991,1.756394049,1.890384908,1.737999732,1.740846776,1.866877978,1.842187408,1.827711658,0.828176748,0.90956404,0.731083137,0.84063695,0.791651233,0.891544974,0.787320918
7246,C25 H54 N O6 P,PE(O-20:0/0:0) Esi+6.401985,517.3456,6.401985,0.243618137,0.070882339,0.538633557,0.292637721,0.273176284,0.002429074,0.414538871,-0.140729664,-0.0311894,-0.271409278,-0.116947599,-0.190400286,0.004792707,-0.234553299
7247,C30 H50 O6,Theasapogenol A Esi+16.280025,506.3578,16.280025,0.725266294,0.704661053,0.520571021,0.697947403,0.56122633,0.459798118,0.669418938,-0.611993257,-0.724007348,-0.478362411,-0.578540925,-0.677468152,-0.490387876,-0.690396726
7248,<none>,<none> Esi+12.906986 :2,865.0905,12.906986,0.113500511,0.017200965,0.355472744,0.091601352,0.275681121,0.222887616,0.112341494,0.113785893,0.069505024,0.166612193,0.116872755,0.089757704,0.157697079,0.085474734
7249,C36 H9 N5 O12 P,C36 H9 N5 O12 P,733.9976,14.444007,1.708049675,1.65624497,1.701494411,1.53359391,1.712876929,1.646579448,1.731272644,0.857653431,0.876412378,0.835274337,0.830224,0.878126977,0.862614064,0.854455129
7250,C28 H37 N2 P,C28 H37 N2 P Esi+8.719978,432.2709,8.719978,0.683535432,0.891971648,0.342892344,0.762851255,0.470786037,0.704609486,0.585226027,0.321893774,0.486626701,0.125370282,0.385254658,0.233222085,0.390892882,0.277407506
7251,C48 H81 N O7 P,1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine Esi+13.761977,796.5406,13.761977,0.24171536,0.367188794,0.053683166,0.385972137,0.101056656,0.1796607,0.146880561,-0.146036681,-0.235194018,-0.039673542,-0.210026374,-0.073796863,-0.061090605,-0.200804545
7252,C27 H55 N8 O3 P,C27 H55 N8 O3 P,570.4201,16.520998,1.140166393,1.232929486,1.195561002,1.217022598,1.380581841,1.276259742,1.113254327,-0.948861921,-1.044619162,-0.834625212,-0.787065512,-1.140177045,-0.876118953,-0.995761992
7253,C41 H73 N O9,"bacteriohopane-31,32,33,34-tetrol-35-cyclitol Esi+11.642017",745.5133,11.642017,0.197075756,0.045179468,0.338842397,0.203534958,0.144541601,0.064982038,0.229688997,-0.079802568,-0.014817789,-0.157328269,-0.070334051,-0.115593071,-0.018872601,-0.119086362
7254,C50 H85 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))",898.5662,13.093013,0.963030298,0.925909927,0.959994469,0.929597689,0.917249991,1.100563732,0.859524247,0.609460265,0.612176004,0.606220435,0.634076283,0.552478152,0.732474607,0.530148386
7255,C24 H30 O7,Armillarilin,452.181,12.275967,1.995906328,1.694533413,2.251189449,1.858980081,2.12415916,1.848953173,2.037830944,2.022453929,1.800963598,2.286688007,1.80722496,2.319130667,1.845882827,2.136295823
7256,C30 H38 O4,Helilupolone Esi+8.151,462.2792,8.151,0.152051095,0.048128261,0.477880267,0.305155699,0.054884415,0.109959667,0.207003365,-0.103422239,0.048273429,-0.28439251,-0.145329957,-0.063955739,-0.036612813,-0.146496738
7257,C35 H67 O8 P,PA(14:0/18:1(9Z)) Esi+15.458007,646.4607,15.458007,0.813508351,0.788916323,0.808352262,0.816019877,0.794046656,0.848087577,0.808274549,0.558746026,0.57983532,0.533586869,0.56873812,0.532792927,0.600290348,0.531960872
7258,C28 H50 O4,"ergosta-3beta,5alpha,6beta,25-tetrol Esi+15.316982",450.3716,15.316982,1.227412862,1.320579976,1.123392216,1.382601816,1.1368397,1.31110752,1.187909417,-1.408658803,-1.498574713,-1.301390699,-1.50215003,-1.248692344,-1.440867833,-1.387892454
7259,C27 H54 N2 O8,C27 H54 N2 O8,534.3895,14.592028,0.789859395,0.931720533,0.526661329,0.829443293,0.691792634,0.7406778,0.730966795,-0.438019475,-0.585402054,-0.262194644,-0.386021783,-0.528504673,-0.385660216,-0.471777418
7260,C29 H30 N2 O3 S2,C29 H30 N2 O3 S2 Esi+14.452954,518.1694,14.452954,1.203886735,1.258010113,0.896302403,1.119808861,1.134118665,1.166884461,1.093187372,-1.478680299,-1.628013321,-1.300528623,-1.506084978,-1.469463796,-1.626774133,-1.383198748
7261,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+14.413026",436.3546,14.413026,1.041269172,1.057839009,0.872607444,1.044674405,0.930237739,1.289068201,0.902740165,-0.652736826,-0.819452988,-0.45384737,-0.680292186,-0.572869284,-0.870379882,-0.512414329
7262,C41 H78 N12 O15,C41 H78 N12 O15,978.5707,12.024985,0.37263151,0.29235744,0.115671627,0.304607951,0.217020721,0.399231594,0.158266687,-0.178336742,-0.282585549,-0.053969744,-0.162026504,-0.178503781,-0.299968338,-0.099916371
7263,C24 H30 O7,Mammea E/BB Esi+8.975988,452.1809,8.975988,0.18155759,0.057338906,0.486422602,0.383976002,0.130992167,0.018962407,0.421509424,0.12057736,0.09590764,0.150007903,0.127326427,0.093644089,0.015237801,0.188493654
7264,C41 H60 O11,Avermectin B1a monosaccharide Esi+15.062011,750.396,15.062011,0.743146287,0.791313989,0.634473422,0.743488399,0.724161947,0.920411937,0.647881198,0.592208397,0.604840285,0.577138776,0.62525771,0.55591161,0.739840026,0.497024846
7265,C16 H15 N O25 P,C16 H15 N O25 P Esi+13.970965 :1,651.9675,13.970965,0.393416476,0.500525673,0.052744195,0.461322904,0.183040319,0.220347187,0.35593654,-0.122868087,-0.18394795,-0.050000882,-0.112068852,-0.151239261,-0.045218893,-0.172931383
7266,C30 H32 O7,Euchretin C,504.2174,13.280024,1.011990314,0.927474407,1.290179381,0.932898422,1.394080828,0.986292467,1.205779396,0.969293711,0.682036372,1.311986677,0.736497297,1.339853268,0.653620158,1.172820081
7267,C15 H36 N9 O S,C15 H36 N9 O S,390.2781,10.090989,0.952038868,0.992634254,0.854570075,1.129903236,0.675020346,0.932359009,0.877105897,-0.627145543,-0.657684761,-0.590712792,-0.697995528,-0.563178134,-0.669440129,-0.599876665
7268,C31 H50 O4 S,C31 H50 O4 S,518.3424,10.999018,1.004209935,1.080629951,0.902719412,1.058985236,0.813320539,1.178825187,0.894351324,0.507880913,0.591778801,0.407792205,0.572341529,0.38602894,0.646942391,0.418222856
7269,C52 H85 N13 S2,C52 H85 N13 S2,955.6485,13.87303,1.158245358,1.073704358,1.286275703,1.137006511,1.109094051,1.237699446,1.14368851,0.784469133,0.794360453,0.77266896,0.815363678,0.713755517,0.901144519,0.709244212
7270,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.031005,284.1236,5.031005,1.528367999,1.482607244,1.515459981,1.574995346,1.383276556,1.554089844,1.458123929,1.481247289,1.493100481,1.467106639,1.617732047,1.26060517,1.676186418,1.35556285
7271,C6 H12 N3 O4 P,L-Histidinol phosphate,238.0817,4.6699996,1.004811487,0.947504827,1.115025079,1.210474433,0.810017466,0.866287048,1.042472163,0.921215314,0.78056221,1.089012,1.013795301,0.766175906,0.732579991,1.042835457
7272,C32 H62 N O10 P,PS(12:0/14:0) Esi+12.259018,650.404,12.259018,1.516729673,1.525608182,1.367254577,1.483808994,1.405533786,1.469331464,1.468748179,1.033594958,1.086099337,0.970958154,1.076315778,0.970253248,1.10454126,0.987853262
7273,C16 H46 N13 O4,C16 H46 N13 O4,484.377,12.135988,0.008531802,0.004157328,0.110987152,0.244711365,0.218038777,0.081561614,0.044405669,0.031418627,0.043495837,0.017010729,0.181755137,-0.203509822,0.088829362,-0.005596188
7274,C18 H40 N9 S2,C18 H40 N9 S2,446.2851,9.483004,1.525197663,1.685987499,1.045509092,1.4727187,1.323390448,1.445805603,1.411756732,2.265748179,2.63275133,1.827919859,2.234008314,2.272286147,2.234451578,2.285926251
7275,C27 H55 N8 O P,C27 H55 N8 O P Esi+14.957019,538.4229,14.957019,1.599324293,1.786909495,1.389886996,1.667053177,1.565060706,1.711649588,1.541424319,-1.389002555,-1.673223425,-1.049932044,-1.361394032,-1.452038497,-1.414938114,-1.372280945
7276,C14 H24 O4,Monomenthyl succinate Esi+8.441012,256.1665,8.441012,0.882437162,0.768818455,0.697724196,0.769889731,0.790879984,0.566222522,0.879203782,-1.518517339,-1.635257397,-1.379248497,-1.458411953,-1.600751592,-1.329427946,-1.640430236
7277,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.01903",278.2243,16.01903,1.175228458,1.232120214,0.965671459,1.157907973,1.038881011,1.12493974,1.087884007,-1.215685802,-1.473267615,-0.908395218,-1.228068753,-1.209069003,-1.226998468,-1.208392109
7278,C17 H35 N8 O2,C17 H35 N8 O2,383.2883,8.703992,0.733235354,0.68130659,0.626397253,0.793605498,0.504891455,0.68718037,0.62212386,-0.460697022,-0.386534204,-0.549171962,-0.448614702,-0.497117489,-0.398514275,-0.500788529
7279,C16 H20 O5,Coriandrone B,314.1139,6.6939836,2.59664793,2.446612883,2.667219599,2.569094477,2.605433784,2.476807541,2.623820501,3.314481254,3.151474526,3.508945421,3.219072866,3.419302079,3.2409504,3.361889305
7280,C19 H30 O6,"5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid",354.2074,9.404027,2.002131687,1.962315828,2.056273106,1.975638891,2.202723523,2.185357842,1.957812634,3.860002418,3.820908615,3.906640638,3.613888327,4.155805007,3.913909971,3.825246232
7281,<none>,<none> Esi+14.019028,630.7751,14.019028,0.251108558,0.347985773,0.055806471,0.233550866,0.11916355,0.168795104,0.20524155,-0.05942474,-0.137140231,0.033288478,-0.046252211,-0.09431931,-0.039601771,-0.072205338
7282,C34 H52 O10,Physagulin D Esi+9.290016,620.3508,9.290016,0.125214738,0.073145686,0.266922315,0.109679646,0.14466315,0.083217867,0.13382237,-0.033021608,0.023670837,-0.1006547,-0.009491755,-0.098131706,-0.006902663,-0.049861454
7283,C19 H17 N2,Sempervirine Esi+4.901988,272.1245,4.901988,0.487124577,0.614094214,0.112889208,0.473108125,0.380326391,0.419107411,0.4085045,0.600146006,0.80125093,0.36023136,0.724310466,0.426707951,0.665576196,0.557960752
7284,C18 H40 Cl2 N3 O4 P S5,C18 H40 Cl2 N3 O4 P S5,622.0911,11.680993,0.702661635,0.619414815,0.679813234,0.813303682,0.488802115,0.545614803,0.659057123,-0.382972283,-0.390341368,-0.374181093,-0.411985373,-0.36778569,-0.27073901,-0.455333208
7285,C42 H66 N10 O7,C42 H66 N10 O7,822.5111,14.558037,1.099509138,1.204506213,0.690428964,1.088888453,0.808829644,0.979823555,0.980684973,-1.333299004,-1.578233626,-1.041096298,-1.315621301,-1.372857177,-1.373124785,-1.307621857
7286,C14 H22 O4,(-)-trans-C75 Esi+7.3249836,254.1514,7.3249836,0.6946173,0.733834288,0.551289545,0.608396154,0.622637864,0.78735491,0.578478198,0.306421029,0.357323979,0.245694703,0.345051812,0.244871716,0.422714083,0.231442613
7287,C14 H21 N3 O3 P,C14 H21 N3 O3 P Esi+7.746979,310.1431,7.746979,0.259770451,0.115310351,0.478206711,0.218528409,0.233603753,0.247962589,0.278853666,-0.22758729,-0.160187632,-0.307993899,-0.282702865,-0.133705353,-0.247744135,-0.214591429
7288,C43 H80 N O8 P,"PE(20:0/18:3(9Z,12Z,15Z))",791.5424,12.717026,0.421110927,0.526492186,0.086728059,0.559466264,0.099525215,0.390129868,0.281716535,-0.134202299,-0.209230882,-0.044694515,-0.139432689,-0.146280697,-0.107721385,-0.151275519
7289,C18 H19 N O26 P,C18 H19 N O26 P Esi+13.772967,695.9941,13.772967,0.299521511,0.221855655,0.442155971,0.241636138,0.350208581,0.354104379,0.300917816,0.224646299,0.205723263,0.247221148,0.236639607,0.192566804,0.274735136,0.19235218
7290,C40 H57 N6 O2 P,C40 H57 N6 O2 P Esi+14.599052,684.4295,14.599052,0.480404905,0.232442457,0.760610745,0.462387991,0.477158744,0.595344676,0.394760642,0.380079589,0.262777719,0.520018662,0.388254206,0.367271743,0.489235447,0.309702786
7291,C40 H66 O14,"(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside",396.2132,11.138991,1.226163935,0.967949984,1.640580914,1.009114481,1.547121844,0.926199744,1.490541938,0.781544129,0.635335068,0.955968974,0.703354244,0.883199955,0.625075441,0.882425256
7292,C24 H35 N O2,N-Arachidonyl Maleimide Esi+8.124015,369.2719,8.124015,0.652917675,0.585488645,0.677164946,0.835154573,0.421139561,0.775890859,0.51351955,-0.635597698,-0.602505783,-0.675075771,-0.778601126,-0.4868676,-0.736311227,-0.570663975
7293,C28 H50 O10,3-O-Mycarosylerythronolide B Esi+11.932991,563.3692,11.932991,2.264146317,2.114185144,2.65848466,2.314822836,2.469247468,2.218213396,2.426234572,3.742354495,3.241171342,4.340257203,3.58956788,3.925173944,3.504667303,3.895600184
7294,C26 H51 O9 P,PG(20:1(11Z)/0:0),538.3269,14.981999,1.679671598,1.73746134,1.561278219,1.684216194,1.622995045,1.8531088,1.555914375,2.444252368,2.590387535,2.269915677,2.552404718,2.295658528,2.706557983,2.275134273
7295,C15 H24 O5,C15 H24 O5,284.162,8.68701,0.237696572,0.469168808,0.084552704,0.372404511,0.05119463,0.546042517,0.036819944,-0.173182742,-0.389348858,0.084699642,-0.239511841,-0.076597085,-0.473614041,0.020516384
7296,C33 H60 N6 O4,C33 H60 N6 O4 Esi+16.231983,604.466,16.231983,0.780639919,0.99963236,0.383058997,0.776208791,0.713680243,0.718904437,0.716591321,-0.545741583,-0.823936837,-0.213859526,-0.50586502,-0.576243585,-0.565539274,-0.532977282
7297,C20 H32 O8,Cincassiol B Esi+11.586004,417.2354,11.586004,1.869146744,1.585326656,2.310268548,1.83791932,2.019620887,1.73970161,2.001354653,1.671330991,1.397829166,1.99761387,1.503589691,1.905683938,1.565606204,1.739495656
7298,C30 H50 N2 O15,C30 H50 N2 O15,678.3182,8.547982,1.002028864,0.99636481,0.882487971,0.994079872,0.895118879,0.857316685,0.992507422,-0.661334823,-0.676884979,-0.64278376,-0.66626591,-0.656020017,-0.605322463,-0.697448055
7299,C21 H38 O7,Erythronolide B Esi+12.269013,424.2432,12.269013,2.146327948,2.045014725,2.544147552,2.166311589,2.498925279,2.090446465,2.397169801,2.781923689,2.307668955,3.347701267,2.425420487,3.2932528,2.327343072,3.075008561
7300,C41 H70 O12,Chikusetsusaponin Ia Esi+14.111025,754.4905,14.111025,0.902142673,1.090657512,0.435787222,0.978228278,0.770099775,0.972838947,0.810057559,-0.456567874,-0.690701116,-0.177251024,-0.418641218,-0.509108494,-0.475631007,-0.44427717
7301,C29 H42 O8,Corchoroside B Esi+11.989012,540.2688,11.989012,0.934637809,0.924995183,0.759953265,0.823713106,0.866714373,0.754500201,0.905060589,-0.666663242,-0.775319211,-0.537038577,-0.523846227,-0.860168121,-0.612095937,-0.701844794
7302,C16 H6 N5 O20 P S,C16 H6 N5 O20 P S Esi+12.252993,650.9059,12.252993,1.7289227,1.713761973,1.803816695,1.737856559,1.73460349,1.771359374,1.743376739,0.747584651,0.776884168,0.712630842,0.761568053,0.71097493,0.785064578,0.723419962
7303,C11 H11 N,8-Isoquinoline methanamine,157.0892,4.11401,0.598764811,0.627854215,0.516816199,0.580380657,0.611495085,0.704656824,0.57815185,0.358333969,0.346231067,0.372772519,0.300779283,0.428829149,0.355552565,0.360127242
7304,C19 H21 N O3,Thebaine,333.1342,11.465014,0.388413857,0.457583794,0.398363409,0.372152707,0.391186998,0.333981158,0.479734328,0.349773109,0.454088614,0.225326542,0.363509536,0.315860604,0.341913362,0.354840578
7305,C13 H25 Cl N5 O15 P S,C13 H25 Cl N5 O15 P S,589.0509,11.379981,0.424932775,0.430915729,0.535674891,0.322588083,0.56941135,0.583385341,0.41794496,0.526138263,0.52036744,0.533022754,0.496706875,0.53593301,0.688056007,0.421743928
7306,C29 H61 Cl2 N4 O P,C29 H61 Cl2 N4 O P,578.3909,15.041993,0.374907162,0.443109046,0.226796941,0.314601403,0.379482258,0.048379775,0.480832496,-0.16632771,-0.207665285,-0.117012709,-0.101691186,-0.271431157,0.076933501,-0.323167176
7307,C17 H42 Cl N8,C17 H42 Cl N8,393.322,12.768004,1.695133722,1.719672326,1.515007799,1.52922399,1.646185808,1.760599036,1.576541384,-1.213906637,-1.269348128,-1.147765911,-1.180382945,-1.241114669,-1.34646887,-1.128438881
7308,C23 H45 N8 O,C23 H45 N8 O,449.3708,15.270016,2.124059579,2.239966328,2.128741214,2.24014627,2.320921233,2.489356197,2.098654402,-1.535542441,-1.625453456,-1.428280178,-1.549751398,-1.488740284,-1.651796366,-1.460589253
7309,C48 H91 N O12 S,C24:1-OH Sulfatide,905.6264,12.641024,0.283630484,0.222877154,0.286985454,0.178002721,0.295914945,0.051182121,0.340917321,-0.101322401,-0.070721624,-0.137828592,-0.034671814,-0.211938522,0.004551416,-0.169583152
7310,C11 H21 N7 O,C11 H21 N7 O,265.1442,9.157982,0.056567197,0.244195371,0.18276264,0.036959103,0.039148375,0.449606474,0.142386556,-0.148455119,-0.158806463,-0.136106147,-0.254278986,0.01370583,-0.403744516,0.016139361
7311,C28 H27 N6 O10 S2,Cefpimizole Esi+11.933021,670.1195,11.933021,1.068046839,0.982197073,1.00623144,1.085561906,0.869451773,0.946944534,1.062533546,-0.690073509,-0.740260316,-0.63020153,-0.691029506,-0.721448752,-0.589587926,-0.754860267
7312,C46 H80 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) Esi+14.889966",854.5772,14.889966,0.537234799,0.389631184,0.666663712,0.523354962,0.551500595,0.34838766,0.68241267,-0.365778408,-0.324469167,-0.415059608,-0.297536878,-0.453040305,-0.232263338,-0.451860493
7313,C12 H12 N4,MeIQ Esi+4.9860015 :1,212.1048,4.9860015,1.27718781,1.420352445,1.203517689,1.420343631,1.326518849,1.425777896,1.30036349,-0.727289316,-0.845743916,-0.585975057,-0.755020998,-0.678633317,-0.811027257,-0.673300381
7314,C34 H58 O6,Campesteryl glucoside Esi+15.584974 :1,562.4215,15.584974,1.403602215,1.527623189,1.196833195,1.46032368,1.30758577,1.437690437,1.329188982,-1.364386971,-1.599484357,-1.083919914,-1.338262886,-1.420530077,-1.30546451,-1.402376452
7315,C23 H35 N5 O4,Leu Trp Lys Esi+10.49699,445.2674,10.49699,0.629589907,0.683366917,0.402387235,0.710611501,0.561647373,0.316097101,0.744203278,-0.531070979,-0.629413656,-0.413749891,-0.500639857,-0.599489501,-0.294607233,-0.683527868
7316,C24 H37 N6 O5 P S,C24 H37 N6 O5 P S,552.2296,7.1190114,0.465038824,0.377408627,0.457017021,0.424984094,0.342122056,0.483891023,0.405073848,0.379276521,0.384891723,0.372577684,0.430284086,0.282636468,0.463335269,0.325080749
7317,C15 H20 O7,3-Hydroxychavicol 1-glucoside Esi+6.347008,312.1184,6.347008,0.716396757,0.735627578,0.458201838,0.421116744,0.895832905,0.443358848,0.756525555,-0.371183916,-0.451615448,-0.275230511,-0.218446713,-0.572097101,-0.278216472,-0.431123453
7318,C14 H20 N7,C14 H20 N7 Esi+8.017976,286.1776,8.017976,0.632929094,0.571461262,0.539117141,0.656804397,0.478248195,0.557152904,0.566981817,-0.608978501,-0.588091688,-0.633896103,-0.580523208,-0.65402413,-0.557382448,-0.642244377
7319,C25 H36 O2 S,CAY10412 Esi+8.791993,400.2431,8.791993,0.547594783,0.472288363,0.558868736,0.416090323,0.545920026,0.63133488,0.442475829,0.446150578,0.472466002,0.414756739,0.43240912,0.433244643,0.609904572,0.340572346
7320,C24 H30 O7,Mammea E/BB Esi+8.836022,452.1855,8.836022,0.34620534,0.076310375,0.798722856,0.235781163,0.568616799,0.087357743,0.73582173,0.164574907,0.094063454,0.248693833,0.118389711,0.213317278,0.022989108,0.255860487
7321,C39 H47 N5 O5,Jubanine C Esi+13.968995,664.346,13.968995,0.546128089,0.233360848,0.854685574,0.38154006,0.669065935,0.394520265,0.623362678,0.418740067,0.199993306,0.679701114,0.28367914,0.599170343,0.248107649,0.528753073
7322,C25 H26 N15 O17 P S,C25 H26 N15 O17 P S Esi+14.254953,871.1071,14.254953,0.957766549,1.218582972,0.388075359,0.950648891,0.795013539,1.006389563,0.867864672,-0.797886259,-1.077583344,-0.464212544,-0.773539543,-0.834965655,-0.7544133,-0.825914878
7323,C21 H24 O5,Tephrowatsin C,378.1471,12.2769985,1.311844037,1.335678623,1.38320932,1.306832832,1.492392971,1.441094525,1.33842539,1.431874208,1.235484328,1.66616389,1.303991482,1.630982048,1.285767658,1.526074484
7324,<none>,<none> Esi+8.381984,510.8187,8.381984,0.110866712,0.1983512,0.043123748,0.036183822,0.256651706,0.117501138,0.197401085,0.01227212,0.113078866,-0.10798856,-0.065128646,0.112742336,-0.03441357,0.042372104
7325,C27 H47 N O7,Tumonoic Acid I,514.358,10.107009,0.786492822,0.750688007,0.787241191,0.943743022,0.490451555,0.724464655,0.714962616,-0.390362017,-0.361359511,-0.424961498,-0.419893316,-0.361609124,-0.344374031,-0.420012165
7326,C34 H46 O7,25-Cinnamoyl-vulgaroside Esi+13.212967,583.352,13.212967,0.844392987,1.203565713,0.127348084,0.871025361,0.640237832,1.011378451,0.692127942,-0.313851225,-0.508260531,-0.081924334,-0.333865911,-0.275779325,-0.412418014,-0.250301585
7327,C19 H38 N O4,Dodecanoylcarnitine Esi+10.145997,343.2718,10.145997,0.298035243,0.281202378,0.315474251,0.267652418,0.37883839,0.4105508,0.290219502,0.227001974,0.281896805,0.161513403,0.21969345,0.232433926,0.283631728,0.190490685
7328,C21 H38 O6,Cryptomeridiol 11-rhamnoside Esi+13.669984,403.2927,13.669984,0.144603563,0.260457799,0.051573369,0.105526819,0.178722058,0.04309131,0.227457316,-0.017668816,-0.117216094,0.10108934,0.036051956,-0.09688686,0.067600968,-0.072645387
7329,C32 H46 S,C32 H46 S,460.3499,14.587959,0.001071898,0.042541126,0.029637796,0.088786953,0.067545836,0.200085147,0.049837018,0.21183244,0.220367678,0.201650051,0.303531828,0.064669729,0.338402451,0.130228091
7330,C11 H16 N3 O4,C11 H16 N3 O4,254.1168,5.7690067,0.210442495,0.447582922,0.054881974,0.106926396,0.255680008,0.169787646,0.293977402,-0.230270231,-0.40289692,-0.024329619,-0.193407238,-0.25632468,-0.200240813,-0.249631303
7331,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.227032",350.3293,13.227032,1.020475593,1.213838218,0.668590496,1.0319113,0.944699135,1.210761757,0.852868019,-0.564021368,-0.665046624,-0.443500011,-0.549877198,-0.565415333,-0.699816862,-0.476469011
7332,<none>,<none> Esi+13.001973 :1,960.1457,13.001973,0.422479473,0.375110575,0.367184794,0.477062689,0.175769055,0.247095833,0.457069238,-0.134728987,-0.138782291,-0.129893466,-0.141924422,-0.14071832,-0.072951711,-0.174559073
7333,C37 H10 N12 O13,C37 H10 N12 O13,830.0486,13.350027,1.266082037,1.144826396,1.434037768,1.273398765,1.242728396,1.272700379,1.284793057,0.591934878,0.587564756,0.597148358,0.60616291,0.561024399,0.623319731,0.571699907
7334,C29 H24 O6,Dichamanetin,468.156,10.406987,0.041212761,0.005146166,0.148016081,0.305698306,0.193830434,0.00680792,0.12767103,0.027388463,0.004562009,0.054620022,0.093308093,-0.075839473,-0.002935104,0.046939183
7335,<none>,<none> Esi+13.544981,592.0808,13.544981,0.693285151,0.545870883,0.953159511,0.625691797,0.781812214,0.724556369,0.721573377,0.325241386,0.301594857,0.353451281,0.320157915,0.31653476,0.357239766,0.304610852
7336,C23 H43 N12 O P S3,C23 H43 N12 O P S3,630.2598,6.3509965,1.479178045,1.435563068,1.347957777,1.427755826,1.426568576,1.09255447,1.608642347,-1.350317567,-1.407558705,-1.282029893,-1.308812123,-1.397587739,-1.214354801,-1.437977771
7337,C27 H46 O4,"Cholest-7-en-3beta,5alpha,6beta,9alpha-tetrol",434.3401,16.06004,1.228797163,1.199984889,1.094957632,1.23807618,1.001639191,1.250460504,1.066568098,-0.791059371,-0.875238108,-0.690635614,-0.873204013,-0.675298331,-0.902913866,-0.718942657
7338,C19 H34 O5,13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid Esi+10.534009,342.2405,10.534009,2.360061192,2.27951013,2.557778689,2.329620336,2.55132204,2.229315329,2.521605869,3.656870246,3.26399949,4.125558166,3.386051151,4.005042066,3.357455597,3.849913902
7339,C30 H60 N O8 P,PE(13:0/12:0) Esi+12.486014,592.4066,12.486014,0.163166905,0.001086046,0.288934698,0.147198041,0.081814645,0.165808448,0.022290028,-0.051503046,0.047622314,-0.169757861,-0.075557001,-0.054085167,-0.166202649,0.022448013
7340,C13 H3 Cl2 N6 O16 P,C13 H3 Cl2 N6 O16 P,599.8721,11.8779955,1.131816044,1.319199556,0.903508391,1.204939733,1.028915603,1.145018256,1.18998655,0.564586777,0.710724638,0.390246872,0.596379007,0.50429058,0.574344643,0.558295521
7341,C10 H16 N6 O4,C10 H16 N6 O4,284.1231,5.892993,1.926704816,1.957308548,1.751757462,1.856924862,1.955981384,1.839435044,1.995044122,1.976054789,2.028737674,1.913205031,1.851486225,2.119921162,2.035365284,1.937815127
7342,C22 H30 O2 S,Farnesyl Thiosalicylic Acid,380.1781,9.93701,0.341500307,0.543882833,0.034688415,0.429701787,0.347546097,0.172624057,0.434949848,-0.375204126,-0.553311546,-0.162725099,-0.374471438,-0.447496848,-0.174693316,-0.504480832
7343,C16 H24 O4,"Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate Esi+10.170001",280.1648,10.170001,0.757413741,0.542040587,0.902338225,0.658689555,0.727211891,0.809633431,0.677719673,0.439203707,0.345420518,0.551085407,0.417381182,0.465332244,0.498005949,0.401291736
7344,C39 H62 O13,Melongoside F Esi+13.633037,738.4154,13.633037,0.303698127,0.287863689,0.140518207,0.227862383,0.351020969,0.17185727,0.336205491,-0.190516478,-0.272174635,-0.09309973,-0.090907915,-0.349190897,-0.093183198,-0.25327083
7345,<none>,<none> Esi+8.676019 :1,451.7869,8.676019,0.016191221,0.099120655,0.154272736,0.138176677,0.227359274,0.062618497,0.045655864,-0.043618349,0.055964261,-0.162418655,-0.130031369,0.058608219,-0.037190928,-0.047762344
7346,C28 H60 N5 O S3,C28 H60 N5 O S3,574.3828,15.229003,0.102236489,0.209031858,0.131793697,0.11300977,0.038770141,0.015816881,0.071435185,0.148593063,0.032858261,0.286662652,0.111195675,0.193454693,0.120019817,0.167015287
7347,C24 H30 O6,Clausarinol Esi+11.290022,414.2041,11.290022,0.388869499,0.368094665,0.569850065,0.422403876,0.509030565,0.155525173,0.666136688,0.261064047,0.252908566,0.270793392,0.211344341,0.324581966,0.044503916,0.400688342
7348,C29 H46 O,"Stigmasta-4,6-dien-3-one",427.3786,5.494996,0.95829877,1.110261248,0.78513538,1.063315984,1.034010168,1.185458455,0.941023403,0.41303053,0.531617714,0.271558101,0.425301575,0.393686869,0.438239095,0.39677764
7349,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+6.2170086",226.1202,6.2170086,0.502793784,0.33500535,0.767392119,0.429041828,0.551080559,0.725997983,0.355267449,0.305600528,0.202279034,0.428861258,0.327825579,0.268072974,0.450918701,0.211908549
7350,C26 H34 O10,Isolimonic acid,523.2431,9.437991,0.533844295,0.613915351,0.360724104,0.340473682,0.646413076,0.732993533,0.399763027,0.489237392,0.572797407,0.38955176,0.402968885,0.576748606,0.622443236,0.403354677
7351,C6 H8 O2,"5,5-Dimethyl-2(5H)-furanone Esi+7.199986",112.0525,7.199986,0.769629825,1.047913161,0.316249777,0.960594155,0.451581896,0.961241037,0.557667325,-0.999223366,-1.445172034,-0.46721443,-1.212381706,-0.663987332,-1.168334842,-0.890190967
7352,C17 H24 O7,8-Acetyl-T2 tetrol Esi+5.6639853,340.1495,5.6639853,0.312902707,0.247433271,0.374829548,0.195262256,0.422438361,0.374058417,0.309404791,-0.21485469,-0.208395442,-0.222560459,-0.129543118,-0.299485231,-0.274761245,-0.176230726
7353,C19 H46 N16 O2 P,C19 H46 N16 O2 P,561.3719,6.541993,0.207309707,0.006369107,0.522945366,0.207321472,0.302371686,0.065932391,0.411842934,-0.141031059,-0.013238207,-0.29348569,-0.100584157,-0.2155186,0.026870905,-0.249283641
7354,C21 H30 O3,Tussilagonone,330.2159,13.708986,0.335202483,0.054562847,0.788450972,0.464109021,0.332261502,0.080734075,0.585426269,0.117054403,0.056088817,0.189785278,0.132895475,0.097663962,0.043067635,0.164756399
7355,C9 H17 N O3,(E)-2-Butenyl-4-methyl-threonine Esi+5.0600095,187.1213,5.0600095,0.061682646,0.140170236,0.323090761,0.295638025,0.445278718,0.082138433,0.062083825,0.126572677,0.007299604,0.268863361,0.032650335,0.242922746,0.180700207,0.091674664
7356,C22 H42 O6,Sorbitan palmitate Esi+12.489012,424.2795,12.489012,2.098071804,1.8813955,2.230092782,1.949649863,2.222536208,1.83444877,2.217997138,1.699458536,1.456181382,1.989683913,1.499449015,1.980180041,1.435248349,1.869804578
7357,C23 H30 O8,Myristicanol A,434.1955,9.107022,1.009616838,0.868300831,1.226660281,0.947305371,1.154689985,1.152225571,0.932709651,1.088712533,0.94564395,1.259390843,0.96316172,1.248860074,1.092525506,1.086254169
7358,C11 H24 O4,"1,2-Bis(1-ethoxyethoxy)propane Esi+7.5240097",220.1672,7.5240097,0.141412564,0.362377171,0.147094025,0.201538526,0.017129894,0.153919568,0.156787883,0.006238076,0.157466272,-0.17417451,0.073939604,-0.109583002,0.062023956,-0.029729136
7359,C35 H52 O8,Phorbol 12-tiglate 13-decanoate Esi+10.950998,600.3687,10.950998,0.411548353,0.694173429,0.247192211,0.407378279,0.24391288,0.450907501,0.287081956,-0.136000727,-0.301636447,0.061599781,-0.145464123,-0.117018297,-0.198154093,-0.095928162
7360,C41 H76 N6 O S4,C41 H76 N6 O S4,796.4989,12.711979,1.336398026,1.172104144,1.583569891,1.401087876,1.252548889,1.360328571,1.36952743,0.664228172,0.63114442,0.703696508,0.70508223,0.589000914,0.690891541,0.647037315
7361,C23 H41 N8 P,C23 H41 N8 P,460.3168,14.202969,0.210692646,0.089066335,0.327763105,0.211868641,0.133948053,0.357793103,0.088677221,0.195839084,0.13268834,0.271176815,0.258992199,0.112082633,0.338855422,0.103631183
7362,C23 H43 N O3 S,N-oleoyl methionine Esi+9.105981,412.2908,9.105981,0.962019399,1.038137245,0.923569204,1.064777355,0.816317125,1.085221369,0.873866171,-0.913468096,-0.834393792,-1.007802354,-1.036111219,-0.76672812,-0.933822549,-0.900344831
7363,C13 H40 N13 O4,C13 H40 N13 O4,442.3314,9.487034,0.340821902,0.230258798,0.561310633,0.228883482,0.46631054,0.325835038,0.352878058,-0.185028057,-0.070750198,-0.321359538,0.005525423,-0.411617905,-0.10987206,-0.233483897
7364,C18 H26 N4 O5,Phe Asn Val,400.1706,8.676019,1.75423478,1.837533832,1.757943499,1.624336318,1.905631159,1.837903164,1.782374686,-1.037010336,-1.05731141,-1.01279151,-1.017573951,-1.052187732,-1.065809575,-1.018442405
7365,C13 H N O19 P S,C13 H N O19 P S Esi+12.641035,537.86,12.641035,1.72931203,1.738379751,1.718409822,1.686786493,1.734853502,1.744942613,1.733038843,0.936702199,0.976823735,0.88883791,0.948395442,0.902452651,0.978384753,0.909827921
7366,C27 H44 O7,Pterosterone,480.3062,14.28399,1.05303468,0.783969108,1.507486876,0.966461983,1.259949149,0.970974788,1.168472329,0.853080455,0.708008355,1.026148925,0.808704395,0.912545893,0.754168395,0.916852704
7367,C19 H32 O7,9-Hydroxy-7-megastigmen-3-one glucoside Esi+8.473014,372.214,8.473014,0.593121587,0.748406164,0.39476953,0.606936775,0.555099461,0.64181492,0.52521856,-0.751839727,-0.827596291,-0.661463476,-0.76878076,-0.665195123,-0.813933325,-0.711805697
7368,C39 H62 N13 O7,C39 H62 N13 O7,824.4888,13.563981,0.385441694,0.41203596,0.292543025,0.428294672,0.238270745,0.44621749,0.264631518,-0.319769543,-0.377604999,-0.250772859,-0.314594079,-0.347076625,-0.41498686,-0.258379431
7369,C29 H52 N16 O2 P,C29 H52 N16 O2 P,686.4362,13.157975,0.146833465,0.148173245,0.16195242,0.3538671,0.10710018,0.379778027,0.013742899,0.178825973,0.178235579,0.179530302,0.354389638,-0.057704594,0.349295022,0.068918296
7370,C11 H16 N6 O4,2-Methylaminoadenosine Esi+9.150017,296.1239,9.150017,0.16679416,0.37127728,0.080602572,0.226689411,0.058374688,0.544702051,0.049316388,-0.460906175,-0.702907437,-0.172202916,-0.580008235,-0.283423576,-0.817018018,-0.231307751
7371,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+9.642987,865.5961,9.642987,0.347650267,0.265018716,0.432462378,0.443499392,0.182384136,0.182134954,0.34435627,-0.15637231,-0.105553881,-0.216997804,-0.154389534,-0.178380383,-0.054431238,-0.222097474
7372,C13 H14 N4 O,Diphenylcarbazide Esi+5.863004 :2,242.1152,5.863004,0.108326866,0.241295028,0.097412538,0.025136724,0.284935083,0.058353105,0.103696728,-0.075605555,-0.122140028,-0.020090744,0.084302051,-0.309925276,0.009173082,-0.130265466
7373,C15 H25 N5 O4 S,Ile Cys His,370.1556,15.099037,2.252312143,2.38839693,2.332886358,2.413657384,2.423769384,2.523928838,2.317994301,2.022413822,2.066933611,1.969302495,2.055462696,1.96395076,2.007379373,2.032107086
7374,C24 H32 O9,Renillafoulin A Esi+6.359007,464.1998,6.359007,0.642495285,0.52067209,0.654462377,0.751570103,0.443560395,0.542367662,0.58289641,-0.435088483,-0.426144517,-0.445758477,-0.425488223,-0.465964444,-0.438037355,-0.433187236
7375,C14 H28 N2 O2,C14 H28 N2 O2 Esi+7.7709966,256.2149,7.7709966,0.40798203,0.511849781,0.094571838,0.343992128,0.341359224,0.492849989,0.305859826,-0.169770815,-0.277922739,-0.040747468,-0.158023087,-0.184237578,-0.217697239,-0.138870884
7376,C31 H37 N5 O3,Doramapimod Esi+10.697013,526.2756,10.697013,2.183027362,2.082180428,2.489833334,2.272460429,2.434736041,2.1354028,2.360601028,3.06466245,2.641041223,3.570035143,2.836108709,3.44551132,2.788223034,3.242893126
7377,C41 H62 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0)",651.4906,16.13203,0.006805678,0.286727552,0.589321271,0.186565724,0.024612852,0.015724042,0.096522314,0.039254246,-0.109776619,0.217045453,0.059973673,0.00450703,0.026879565,0.047232658
7378,C27 H36 F2 O6,Flumethasone pivalate Esi+10.269023,494.2488,10.269023,1.674835967,1.523022691,1.983698983,1.596333368,1.853234369,1.643464048,1.776069251,1.583915887,1.402729579,1.800067973,1.55889341,1.605133087,1.529603412,1.618933141
7379,C36 H53 N7 O6,Telaprevir,678.3981,13.427982,1.425185056,1.377105701,1.478166513,1.614589671,1.204305099,1.390981566,1.424112447,1.191887113,1.149817473,1.242075456,1.282314119,1.084641385,1.167030247,1.20791325
7380,C15 H14 N O22 P S,C15 H14 N O22 P S Esi+13.677001 :1,622.9469,13.677001,0.422920528,0.495151738,0.128198698,0.421204145,0.286545845,0.239215172,0.371996957,-0.138936813,-0.158758778,-0.115289557,-0.069231426,-0.250416295,-0.028220536,-0.210319676
7381,C19 H47 N18 O5,C19 H47 N18 O5 Esi+10.83103,607.3972,10.83103,1.147708664,0.919952717,1.172959698,1.098609503,0.915776287,0.943719824,1.122546538,0.990489799,0.907419721,1.089590945,1.030020005,0.89289275,0.963264448,1.008042986
7382,C25 H46 O7,C25 H46 O7 Esi+14.284971,458.3235,14.284971,0.506682706,0.213413606,0.767473054,0.330895849,0.596855003,0.335589845,0.577684732,0.460425135,0.277028665,0.679213906,0.386056335,0.561943714,0.34785322,0.533004396
7383,C24 H49 N O6 P,"PC(O-16:2(9E,10E)/0:0)[U] Esi+9.168973",478.3297,9.168973,0.310707264,0.238071138,0.431984623,0.506929267,0.055757704,0.642036983,0.115452567,-0.531361047,-0.458503124,-0.61827927,-0.766612175,-0.197992973,-0.797254156,-0.359929963
7384,C49 H89 O13 P,"PI(18:3(6Z,9Z,12Z)/22:0)",933.6321,16.833006,2.160774801,2.217382838,2.101468008,2.165116476,2.224667544,2.256485645,2.114863453,-1.430296952,-1.517326933,-1.326471712,-1.433304986,-1.422299073,-1.502362007,-1.383833957
7385,C52 H69 N15 O3,C52 H69 N15 O3,951.5701,13.885009,0.383265325,0.686731358,0.429080633,0.233726877,0.360654485,0.377729606,0.285312588,-0.082977484,-0.27012406,0.140285099,-0.037332899,-0.143284747,-0.126135088,-0.055152187
7386,C26 H46 N3 O3,C26 H46 N3 O3,448.3521,15.271978,2.314456347,2.398467408,2.169803987,2.421834448,2.384055403,2.334152313,2.396159091,-1.812134636,-1.928565495,-1.673234663,-1.78965893,-1.830806692,-1.708007514,-1.879269227
7387,C38 H40 N2 O8,Secoisotetrandrine,651.2742,11.578002,1.825750122,1.78670083,1.45961649,1.710929127,1.591791647,1.588635222,1.694576048,-1.596186016,-1.682285809,-1.493470473,-1.583675757,-1.607313149,-1.538442337,-1.633415493
7388,C18 H37 N O2,Sphingosine Esi+14.071031,299.282,14.071031,2.22752927,2.213722445,2.205919858,2.257783799,2.207639527,2.25527069,2.197359601,-1.142882014,-1.221579938,-1.048996772,-1.125259072,-1.159538475,-1.175044358,-1.122145767
7389,C26 H50 O3,3-oxohexacosanoic acid,409.3653,14.123025,1.36637323,1.31424902,1.162280745,1.160846319,1.392625253,1.364232948,1.284523648,-0.902142731,-0.983552041,-0.805022851,-0.86265635,-0.948186051,-0.984049285,-0.849334557
7390,C23 H46 N4 O3,N-stearoyl arginine,425.3403,12.061018,0.166012601,0.133486314,0.13490772,0.061213345,0.19556265,0.297796432,0.00243419,0.055426733,-0.048400665,0.179290998,0.121436244,-0.052109618,-0.259703933,0.258603084
7391,C34 H62 O5,DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi+16.827944,567.4852,16.827944,0.318277681,0.248240673,0.531187275,0.328837146,0.407657259,0.591034476,0.189897591,0.516709977,0.453830219,0.591724425,0.579140019,0.42668602,0.686126207,0.407481092
7392,C35 H54 O11,Esculentoside E,650.3682,13.081029,1.638509136,1.376223397,1.823579759,1.541511005,1.659699009,1.39750069,1.723439999,2.996035995,2.541320397,3.538503726,2.913739177,3.113136649,2.57364458,3.268367302
7393,C46 H66 O6,(2'S)-Deoxymyxol 2'-?-L-fucoside Esi+13.350027,713.4781,13.350027,1.340213393,1.277942466,1.402888857,1.309253842,1.256172136,1.321196782,1.368912769,0.644956915,0.648829884,0.640336531,0.66507373,0.604365428,0.669193301,0.629330824
7394,C15 H28 Cl2 S,C15 H28 Cl2 S,310.1272,0.88000137,0.894923344,0.926249918,0.533470362,0.802774896,0.924416869,0.87852618,0.778100808,-0.425521235,-0.620243855,-0.193220566,-0.4307601,-0.424082251,-0.498183837,-0.378672979
7395,C14 H11 O P,C14 H11 O P,226.0523,6.3509903,1.298260447,1.225045307,1.224698411,1.225896159,1.238263849,1.099891979,1.31306219,-0.799672247,-0.830369297,-0.763051205,-0.73287804,-0.893141367,-0.780425019,-0.812081644
7396,C26 H52 N2 O2 S2,C26 H52 N2 O2 S2,486.3323,14.591013,0.469088809,0.555174809,0.176592097,0.30851154,0.508674899,0.091782604,0.536422966,-0.097930762,-0.169990376,-0.011964906,0.025381807,-0.274373037,0.068197263,-0.205039619
7397,C30 H48 O9,Lithocholate 3-O-glucuronide Esi+13.616973,552.3279,13.616973,2.47623698,2.262948994,2.576136273,2.455847715,2.45365408,2.242782721,2.530521894,3.702027904,3.383116511,4.0824836,3.563086182,3.888858733,3.390728625,3.902734018
7398,C20 H28 N8,"Bis(3-azidopyridinium)-1,10-decane perchlorate Esi+8.93799",397.267,8.93799,0.894899764,0.800598301,0.986270451,0.976502729,0.805754911,0.910510472,0.827301549,-0.497961704,-0.437095267,-0.570574296,-0.520420019,-0.490962108,-0.500439531,-0.496364158
7399,C13 H14 N4 O,Diphenylcarbazide Esi+5.03699,242.1151,5.03699,0.047489008,0.211089585,0.17951797,0.122681848,0.035532056,0.231885059,0.067924533,-0.061793136,-0.173476474,0.071443127,-0.103463193,-0.011396143,-0.170132611,0.008057315
7400,C48 H77 N O4 P,C48 H77 N O4 P,762.5579,15.629947,0.271799937,0.294986924,0.177685611,0.271388466,0.250599077,0.382316224,0.103726269,-0.11114379,-0.151524596,-0.062970197,-0.132313968,-0.093873211,-0.202967358,-0.051941754
7401,C40 H61 Cl N8 O S,C40 H61 Cl N8 O S,734.4206,13.883038,0.324218184,0.42190704,0.093458599,0.238648756,0.342873868,0.147260409,0.335835925,-0.146322744,-0.297707392,0.034276486,-0.06724842,-0.261075564,-0.054311879,-0.205645538
7402,C11 H15 N O4,L-4-Hydroxy-3-methoxy-a-methylphenylalanine,225.0987,4.489009,1.4648938,1.417701305,1.557292562,1.340883465,1.644872215,1.612099045,1.388287717,2.956606074,2.739167326,3.216006686,2.668210956,3.404110831,3.030731324,2.908814795
7403,C28 H57 N21 P,C28 H57 N21 P,716.5185,15.162032,0.604425154,0.582262768,0.719536659,0.742573503,0.526517577,0.797609323,0.571921602,0.304337243,0.276059804,0.338071732,0.354425925,0.254737243,0.362802744,0.266642381
7404,C13 H26 N6 O4,Gly Val Arg Esi+7.8790197,330.2033,7.8790197,0.164630034,0.067012181,0.473016859,0.00472488,0.435738646,0.144576943,0.367045327,-0.105413365,0.007757444,-0.240424156,-0.032086552,-0.227561555,0.050561661,-0.205976211
7405,C13 H22 O4,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one Esi+8.307006",242.1515,8.307006,0.099145581,0.074396677,0.004110729,0.182902555,0.310416235,0.179881135,0.001494535,0.075779492,0.080122626,0.07059821,-0.052765118,0.26055788,0.161942179,0.020227233
7406,C13 H22 O5,C13 H22 O5 Esi+6.6860027,258.1467,6.6860027,1.21872609,1.153941553,1.275413516,1.042638033,1.300712424,1.252396676,1.191592206,0.830053727,0.769154135,0.902705871,0.803937854,0.855818883,0.93386391,0.763123477
7407,C7 H11 N O,2-Ethyl-5-imino-1-cyclopenten-1-ol Esi+0.8679973,125.0836,0.8679973,0.476014189,0.239362155,0.650157667,0.268121612,0.586053476,0.071103186,0.663527936,0.167389285,0.135209998,0.205778609,0.150629724,0.19537367,0.092070931,0.215949802
7408,C61 H92 O6,"TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] Esi+14.428969",919.6788,14.428969,0.421688455,0.387952908,0.315660449,0.463871284,0.2253724,0.189565925,0.429831956,-0.166478288,-0.188713735,-0.139951789,-0.154163045,-0.19643603,-0.044570784,-0.245076547
7409,C35 H71 N3 O S4,C35 H71 N3 O S4,677.4475,12.641034,1.748924201,1.737445286,1.791421192,1.776699128,1.752403377,1.740567956,1.804393331,1.052751464,1.074574489,1.026716978,1.074174744,1.008438563,1.082157464,1.033792333
7410,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.9809914,284.1275,5.9809914,1.647157202,1.779501697,1.427364443,1.619506888,1.666872977,1.779933596,1.563274618,1.492824399,1.50627274,1.476780764,1.378595226,1.621369715,1.637981317,1.399236386
7411,C26 H29 F2 N7,Almitrine,494.2694,5.5889916,0.766475256,1.025676128,0.474808247,0.832582485,0.606259788,1.030959236,0.554501634,0.357692083,0.496605422,0.191970905,0.417468493,0.255591437,0.582357865,0.212841775
7412,C25 H22 O6,Millettin Esi+9.923995,440.1239,9.923995,0.889177267,0.796032874,1.155373839,0.758605204,1.252307134,0.880822392,1.050852055,0.571796307,0.397687359,0.779505228,0.440203361,0.773047372,0.407071983,0.678000147
7413,C14 H22 O7,Garcinia lactone dibutyl ester Esi+4.995984,302.1349,4.995984,0.396046364,0.223371111,0.538940559,0.246524268,0.578128818,0.245292881,0.45115774,-0.477184178,-0.294045161,-0.695665813,-0.3728174,-0.591353529,-0.328996932,-0.572725955
7414,C21 H34 N6 O8,C21 H34 N6 O8,498.2439,9.665011,1.64207976,1.498841339,1.816187217,1.608297044,1.762071956,1.485716863,1.752890288,2.61832056,2.295184356,3.003816382,2.503944396,2.868653498,2.289538774,2.83029829
7415,C16 H24 O,"1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one",232.1814,14.441961,0.76937636,0.808137568,0.541060783,0.778437646,0.691976603,0.79794379,0.642326345,-0.415770179,-0.456430155,-0.367263541,-0.395318471,-0.463637878,-0.430346918,-0.406372018
7416,C24 H42 O11,"4-Megastigmene-6a,9R-diol 9-[apiosyl-(1-6)-glucoside]",506.2704,6.900016,0.005686301,0.161737286,0.246695904,0.011163306,0.068725944,0.169107815,0.136470121,-0.091308413,0.043601397,-0.252253449,-0.114532447,-0.082895122,0.037927363,-0.174631478
7417,C31 H46 O7,11-Ketorockogenin acetate Esi+13.107972,547.349,13.107972,0.348160844,0.603405826,0.067837002,0.358234727,0.375658296,0.570477448,0.205439111,0.154195991,0.287366522,-0.004674117,0.101669807,0.207196154,0.232401008,0.103774335
7418,C17 H15 N O3,Juzirine,298.132,16.262957,1.386802272,1.368681462,1.249500876,1.487314046,1.111778399,1.363521322,1.266246398,-0.819152985,-0.829505274,-0.806802887,-0.910190609,-0.694272872,-0.839436772,-0.806075281
7419,C44 H59 N O5,7-Epizucchini factor A Esi+13.75,698.4716,13.75,0.020492534,0.124006882,0.321387128,0.152248019,0.263497251,0.109772743,0.212107292,0.089800768,0.008082594,0.187289115,-0.007262115,0.205407385,-0.040396182,0.173743537
7420,C19 H O22,C19 H O22 Esi+13.874019,580.8967,13.874019,1.951586499,2.025877599,2.010102968,2.019258178,2.027204487,2.135384455,1.956884943,1.053058463,1.119994674,0.973204738,1.081262216,0.997983455,1.141035126,0.996336667
7421,C27 H36 F2 O6,Flumethasone pivalate Esi+10.259014,494.249,10.259014,1.711210708,1.683010627,2.005992213,1.84586568,1.771407027,1.793638371,1.802474442,1.941997219,1.710584888,2.21806807,1.942092785,1.934524938,1.985850576,1.913723344
7422,C17 H29 N,C17 H29 N Esi+9.729003,247.2296,9.729003,1.069466871,0.966560418,1.042211878,0.953317363,1.157965068,0.861022461,1.127958781,-0.872278405,-0.922331715,-0.812565685,-0.859991142,-0.923907761,-0.827207634,-0.901337192
7423,C43 H74 N O7 P,"PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",747.5194,14.135009,0.134948195,0.056587983,0.327615025,0.24557977,0.150957869,0.060728051,0.223774379,0.30392151,0.221921607,0.401745956,0.384972247,0.237036311,0.256582267,0.334442864
7424,C42 H68 O16,Centellasaponin B,850.4328,13.811021,0.018296334,0.270803444,0.468152692,0.033577341,0.138966494,0.099652365,0.023316979,-0.054267673,-0.197898075,0.117080877,-0.109899784,0.002810546,-0.063260053,-0.048469955
7425,C26 H51 N O8 P,PC(16:1(9Z)/2:0) Esi+11.970968,553.3697,11.970968,1.636072241,1.803131321,1.646044746,1.756894923,1.705312325,1.904313063,1.649672458,1.367392533,1.513773614,1.192762472,1.449634868,1.218050847,1.542175256,1.254703673
7426,<none>,<none> Esi+12.918965,566.8239,12.918965,1.037317427,0.774464759,1.417470495,1.098791372,1.031639542,0.775043471,1.187481179,0.505564812,0.393830345,0.638862071,0.527365401,0.492147569,0.392806271,0.578264398
7427,C13 H18 O3,Isoamyl p-anisate,222.1243,6.7550044,0.990287191,0.953918233,1.004243372,0.985308017,0.842700511,0.989376294,0.93690469,1.05552428,1.102295287,0.999727288,1.190941531,0.881314579,1.226550523,0.94525736
7428,C18 H26 O5,beta-Zearalanol Esi+9.514009,322.1744,9.514009,0.208688098,0.086898229,0.335632813,0.209536543,0.208753231,0.03018173,0.322558299,-0.136234128,-0.019577263,-0.275403721,-0.079151288,-0.231798014,-0.091026448,-0.165381184
7429,C26 H44 O8,Goshonoside F2 Esi+11.927001,484.306,11.927001,0.508064787,0.3278078,0.732450221,0.5521678,0.391831555,0.388895019,0.521162464,0.584337763,0.39316069,0.812408658,0.705635451,0.463521913,0.51568247,0.62860236
7430,C19 H42 N2 O8 P,C19 H42 N2 O8 P,457.2691,12.936021,2.563424574,2.468489939,2.510913587,2.601245763,2.447732644,2.478067468,2.520743631,1.822673858,1.828314042,1.815945218,1.81149996,1.828689043,1.780383642,1.849939918
7431,C22 H34 O8,Cinnzeylanine,426.2239,8.348015,0.347230626,0.065404261,0.534550297,0.096466541,0.49160637,0.051354985,0.562636389,0.277960554,-0.032062669,0.647812819,-0.018686201,0.658953688,-0.16515486,0.563653386
7432,C12 H24,1-Dodecene Esi+6.670014,185.2139,6.670014,1.89035961,1.788643298,1.915072395,1.742470828,2.016763616,1.730774732,1.968377502,0.609828075,0.584840348,0.639637996,0.591591899,0.641790631,0.590450831,0.622321299
7433,C29 H59 N8 O6,C29 H59 N8 O6,615.4543,12.769026,1.648435276,1.843433785,1.615572087,1.821196253,1.884237528,1.863900226,1.749861257,-1.807025042,-2.074243933,-1.488237593,-1.681902843,-1.896909438,-1.73365424,-1.854329901
7434,C32 H38 O17,Neocuscutoside C,694.2145,7.224984,1.044431633,0.932886213,1.127203796,0.960766542,1.034790636,0.915293385,1.099141105,0.608014972,0.580836768,0.640438092,0.603152288,0.602989862,0.555562511,0.641833006
7435,C19 H30 N O3,C19 H30 N O3 Esi+9.28501,320.2147,9.28501,2.081554634,1.890350946,2.392341683,2.08592785,2.191883806,1.996651279,2.208346359,2.34780315,2.117531764,2.622512875,2.241944292,2.469703539,2.286450571,2.387359419
7436,<none>,<none> Esi+12.584979,670.7887,12.584979,0.182863767,0.051521379,0.350019467,0.129310566,0.241540382,0.236725766,0.173257249,0.206260305,0.144199526,0.280297727,0.207374788,0.186387618,0.234888389,0.187802725
7437,C15 H27 N O4,C15 H27 N O4 Esi+6.6829906,285.1938,6.6829906,0.729132093,0.664791343,0.731545642,0.712167754,0.595913516,1.098481009,0.465550329,-0.28866263,-0.259298466,-0.323693562,-0.229924406,-0.382129144,-0.447716122,-0.186114983
7438,C31 H46 N7 O,C31 H46 N7 O Esi+15.202948,532.3725,15.202948,0.992358352,1.115516411,0.741835828,0.988733336,0.900654866,0.973135934,0.902228516,-0.57196636,-0.689655587,-0.431565176,-0.540416628,-0.633414921,-0.564140814,-0.577011778
7439,C26 H55 N O6 P S,2-thio-PAF Esi+8.28199,557.3766,8.28199,0.858565634,0.54646254,1.126570118,0.775723788,0.856753125,0.765467398,0.87041551,0.499101281,0.375573747,0.646467462,0.434773485,0.583998934,0.523694792,0.483244938
7440,C34 H54 O11,"26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi+11.149986",660.348,11.149986,1.269989194,0.979262728,1.698909651,1.257923265,1.349816598,1.143821886,1.416176493,0.613478412,0.498833359,0.750247949,0.627443047,0.589273545,0.574593791,0.63854876
7441,C16 H29 N O5,Butoctamide hydrogen succinate Esi+5.8979893 :1,315.2039,5.8979893,0.483178943,0.69792587,0.121010409,0.722928098,0.176446413,0.791638739,0.350290408,-0.309520558,-0.544006667,-0.029782743,-0.420846956,-0.161833385,-0.438537496,-0.226338584
7442,C30 H50 O5,Cycloastragenol Esi+15.221973,490.3629,15.221973,0.997739878,1.132000017,0.745676242,1.004465382,0.920418841,0.91050969,0.975446221,-0.71423341,-0.844840602,-0.558421322,-0.605483817,-0.889057386,-0.473405427,-0.869504083
7443,C23 H40 O7,1(3)-glyceryl-PGF2? Esi+11.767017,428.2776,11.767017,1.725717882,1.639834867,1.915422309,1.872758626,1.63827473,1.835302496,1.722181878,1.314099706,1.21706154,1.429864535,1.359980341,1.24064646,1.337383798,1.299087593
7444,C38 H73 O9 P,PG(P-18:0/14:1(9Z)) Esi+11.470968 :1,704.5061,11.470968,0.200707783,0.125674406,0.318064717,0.109085321,0.416253673,0.293263326,0.268198257,0.127644007,0.089648228,0.172972305,0.114473894,0.117351635,0.199208359,0.081503833
7445,C9 H12 O3,4-Ipomeanol Esi+6.2900066,168.0775,6.2900066,0.774080926,0.629278563,0.9456234,0.499467659,0.827538332,0.569910307,0.813505172,-0.443136937,-0.327058049,-0.581617014,-0.272969942,-0.67742205,-0.354301181,-0.500412621
7446,C21 H31 N3 O5 S,N-Formylmethionyl-Leucylphenylalanine,436.1914,12.244996,1.868088717,1.69210313,1.884134245,1.869040586,1.818807162,1.659391175,1.887522701,-1.465584147,-1.379585362,-1.56817919,-1.367607603,-1.614694973,-1.360189075,-1.533536233
7447,<none>,<none> Esi+11.102029,536.8061,11.102029,1.317510309,1.055413458,1.687628221,1.205653686,1.568347077,1.077204324,1.569547407,0.656414186,0.549647681,0.783784755,0.647794642,0.669944584,0.577210215,0.707479905
7448,C9 H18 N2 O5,"2,6-Diamino-7-hydroxy-azelaic acid",251.1495,5.5240054,0.328206603,0.350936195,0.170880594,0.373731855,0.255384308,0.433072246,0.191705698,-0.091111443,-0.107535024,-0.071518399,-0.078303877,-0.130813456,-0.107134818,-0.080780583
7449,C29 H49 N16 O18,C29 H49 N16 O18,909.3411,5.4860005,0.191584994,0.414560396,0.024077191,0.274337017,0.170720724,0.446633122,0.06227786,0.172144156,0.282874454,0.040044853,0.24880448,0.085792253,0.353320942,0.055332807
7450,C37 H65 N O14,Erythromycin E,764.4694,14.791993,0.523569111,0.52334314,0.427250003,0.45577103,0.502326029,0.290987982,0.562045257,-0.454064129,-0.494123435,-0.406274079,-0.329434374,-0.646155514,-0.275107735,-0.569443909
7451,C14 H22 O3,"(9S,13S)-1a,1b-dihomo-jasmonic acid",238.1565,8.552001,0.210242474,0.42354937,0.068609534,0.401813226,0.073101638,0.385205241,0.035144798,-0.114764583,-0.199220161,-0.014010559,-0.208962396,0.014619829,-0.19916266,-0.060350033
7452,C16 H22 O4,Alpha-CEHC,278.1516,16.302,1.572225671,1.676727118,1.556637447,1.68831223,1.52551278,1.83544073,1.474454221,-1.175752128,-1.283977262,-1.046641442,-1.23569716,-1.085155417,-1.282512985,-1.10691947
7453,C24 H53 N11 O3 P,C24 H53 N11 O3 P,574.4096,8.475983,0.925058233,0.922265532,0.926622864,1.046242382,0.677290116,1.053246398,0.792876662,-0.563882177,-0.509933821,-0.628241618,-0.634266041,-0.480725991,-0.534997299,-0.582505322
7454,C32 H54 O5,Ganoderiol C Esi+15.084974 :1,518.3957,15.084974,1.71265806,1.892600314,1.440976901,1.807371556,1.611434366,1.75321661,1.680446371,-1.124553061,-1.398438773,-0.797812211,-1.144070308,-1.118107893,-1.134794592,-1.117949968
7455,C17 H22 N4 O2,Granisetron metabolite 4,314.1784,6.1490097,0.211807181,0.252766576,0.214148391,0.296584057,0.131416666,0.310360545,0.189573777,-0.064120542,-0.084858675,-0.039380314,-0.065142965,-0.043289834,-0.066337235,-0.062691359
7456,C37 H64 O14,Kurilensoside J Esi+12.913011,754.4119,12.913011,2.011373612,1.920252686,2.109264881,1.998795588,2.096769698,1.939066637,2.084788157,2.90898082,2.723983511,3.129679363,2.828628877,2.977962703,2.65763698,3.071031453
7457,C17 H25 N3 O6,Val Tyr Ser,366.1658,10.576,2.162429354,2.162612825,2.300534721,2.300180157,2.245718163,2.237703316,2.276001237,-1.369755019,-1.325199471,-1.422909006,-1.339485656,-1.40059885,-1.355296453,-1.379076989
7458,C36 H64 O6,C36 H64 O6 Esi+15.126969,592.4693,15.126969,1.098797482,1.159222165,0.924829956,1.009750486,1.089763891,1.076242983,1.041293051,-1.075052609,-1.306804752,-0.798576368,-1.051254533,-1.132200186,-1.212170591,-0.986647594
7459,C10 H20 N2 O2,C10 H20 N2 O2 Esi+3.3200061,200.1439,3.3200061,1.108193269,0.823865832,1.265921691,0.942211426,1.254302447,0.710477657,1.212713145,0.526046535,0.432391395,0.637775473,0.480293924,0.668160548,0.389280852,0.614224409
7460,C30 H46 O5,Lucyin A Esi+14.653023,486.335,14.653023,1.232026329,1.264547084,1.213696301,1.367202723,1.135050003,1.254367173,1.165985358,-0.793464234,-0.834056051,-0.745038909,-0.751666861,-0.878917509,-0.799308046,-0.789696513
7461,C21 H35 N O4,C21 H35 N O4 Esi+9.449977,365.2494,9.449977,0.037822436,0.096923867,0.0863962,0.059944379,0.07432939,0.071513574,0.002115958,0.032406037,0.045078465,0.017288053,0.026455514,0.016438458,0.0532819,0.018946599
7462,C63 H115 D5 O6,TG(20:0/20:1(11Z)/20:0) (d5),974.9247,14.367977,0.012275485,0.245472277,0.38967036,0.10992936,0.367113345,0.360905993,0.3280982,0.023954784,-0.170437141,0.25586094,-0.138446254,0.262081561,-0.274616841,0.216454911
7463,C36 H58 O10,Lucyoside N Esi+14.56004,650.4028,14.56004,0.349800593,0.319780862,0.558317962,0.429293585,0.365427631,0.47082263,0.36072265,0.300759921,0.285390945,0.319094839,0.330122385,0.219686772,0.364775008,0.259487036
7464,C46 H83 N3 O15 P2,CDP-DG(18:1(9Z)/16:0),994.5672,14.086977,1.1012425,0.957732483,1.228823047,1.112187354,1.032606713,1.059513175,1.087975046,0.812612356,0.754751173,0.881639733,0.843856867,0.758121616,0.820825004,0.807317359
7465,C43 H72 O11,Narasin Esi+13.566967,764.5049,13.566967,0.900655385,0.863951163,0.98698221,0.808663985,1.082662072,0.946253825,0.907654883,0.744707331,0.754911767,0.732533617,0.670060325,0.831946684,0.792069753,0.714171032
7466,C18 H38 N20 O7 P S,C18 H38 N20 O7 P S Esi+6.3000073,709.2691,6.3000073,2.007830827,1.901183624,1.928511643,1.876444188,2.068894712,1.844468122,2.030753746,2.107688731,2.226374295,1.966098936,1.970436023,2.28435196,2.076273595,2.127943227
7467,C27 H55 O9 P,PG(21:0/0:0) Esi+13.160996,554.3548,13.160996,2.402839466,2.310238735,2.354309555,2.414726325,2.308636298,2.181705725,2.442797416,2.9584442,2.845426539,3.093272287,2.939939163,2.971066645,2.748254445,3.093961279
7468,C11 H21 N O4,C11 H21 N O4,231.1458,4.821002,1.027936749,0.915215458,1.160580779,0.732415931,1.35620642,1.060486257,0.998859562,0.768090529,0.71237505,0.834558117,0.680132884,0.886262194,0.86851635,0.703342302
7469,C47 H74 N13 O10,C47 H74 N13 O10,980.568,14.394028,0.018005516,0.08803807,0.240391004,0.082721848,0.071739627,0.173792315,0.039299506,0.080457034,-0.008143997,0.18615651,0.169470291,-0.06844877,0.191627476,0.008781354
7470,C39 H27 Cl3 N O2,C39 H27 Cl3 N O2,646.1105,12.997007,0.859400747,0.828124676,0.708312815,0.873435709,0.64113221,0.71783559,0.861702818,-0.404492647,-0.474943694,-0.320445784,-0.388468962,-0.442891147,-0.374551,-0.42379713
7471,C35 H66 N O10 P,PS(17:1(9Z)/12:0),690.4321,15.037031,0.778520723,0.80829449,0.623427225,0.755244098,0.809456683,0.809513067,0.687748235,-0.592271226,-0.663067883,-0.507812057,-0.517319304,-0.729082106,-0.608820547,-0.58160127
7472,C26 H58 Cl N17 O3,C26 H58 Cl N17 O3 Esi+13.467025,691.4629,13.467025,0.636942766,0.823809676,0.342196809,0.600737551,0.572621677,0.573498157,0.655729165,0.502722286,0.660971487,0.313933766,0.525758598,0.447662675,0.500070591,0.504431932
7473,C34 H64 N6 O5,C34 H64 N6 O5 Esi+15.402031,636.4916,15.402031,1.164782511,1.21715256,1.042343652,1.207598858,1.048569169,1.26597386,1.049722148,-1.095944021,-1.320755102,-0.827748345,-1.158172991,-1.025491125,-1.316960559,-0.953446516
7474,C32 H43 N2 O P,C32 H43 N2 O P,502.305,12.06299,1.273542992,1.378285789,0.82309798,1.262398826,1.003450847,1.308321302,1.056170694,-0.768167144,-1.055333558,-0.425582651,-0.710579969,-0.849447886,-0.885582152,-0.692465363
7475,C19 H18 N3 O24 P,C19 H18 N3 O24 P Esi+14.158989 :1,703.001,14.158989,0.564468339,0.677499445,0.27602827,0.614789416,0.345781451,0.521546452,0.50289506,-0.23040139,-0.297404093,-0.15046834,-0.204633799,-0.238202772,-0.205142309,-0.24668685
7476,C42 H66 O14,Cynarasaponin C,816.4246,15.229985,1.600145862,1.818639898,1.541142913,1.714706755,1.607867073,1.893409566,1.530232178,1.078914208,1.174710453,0.964630968,1.134006215,1.003110278,1.21948434,0.988283465
7477,C34 H58 O6,Campesteryl glucoside Esi+15.037044 :1,562.4196,15.037044,1.501547242,1.639693065,1.331588791,1.59201103,1.42564612,1.553947467,1.451754302,-1.260002345,-1.529473986,-0.938527405,-1.18305729,-1.380048279,-1.148636092,-1.331804271
7478,C14 H16 O5,1'-Acetoxyeugenol acetate Esi+5.2299905,286.0821,5.2299905,0.924095335,0.817344742,0.878949143,0.798031815,1.012614904,1.151897299,0.768438989,-0.406906452,-0.467576535,-0.334528108,-0.423866083,-0.383854858,-0.541462654,-0.320153111
7479,C35 H60 N6 O8,C35 H60 N6 O8,692.4521,15.829033,1.562287686,1.562404237,1.522562446,1.541148931,1.554396776,1.599920533,1.489351333,-0.888230884,-0.99346623,-0.762686961,-0.836884668,-0.977993788,-0.955630925,-0.844775594
7480,C19 H39 N O,Palmitoyl N-Isopropylamide Esi+16.080027,297.3029,16.080027,1.54231286,1.674775165,1.462816962,1.666628133,1.61139787,1.762676312,1.562634131,-0.588278261,-0.721313659,-0.429569365,-0.563856748,-0.632249221,-0.60004341,-0.580692836
7481,C21 H22 Cl F N4 O2,Halopemide Esi+4.836005,416.1424,4.836005,0.602105589,0.573107966,0.708533184,0.353641808,0.783569325,0.730580282,0.531134214,0.945924441,0.837039448,1.075822327,0.852522695,1.022718078,1.241801679,0.755161485
7482,C15 H26 N4 O,C15 H26 N4 O,278.209,8.655022,0.112321851,0.089988033,0.100843067,0.046739014,0.232804767,0.126744989,0.241592294,0.097936383,0.142262172,0.045056496,0.068484756,0.133037323,0.043327539,0.133144717
7483,C24 H28 O7,3-Isomangostin hydrate Esi+9.826006,428.1844,9.826006,0.013687869,0.098356733,0.242512192,0.092044558,0.023189265,0.083707425,0.147746938,0.029598516,0.005231654,0.058667754,0.005561611,0.046839362,-0.020698685,0.062026974
7484,C16 H26 O2,"(E)-2-Hexenyl (E)-7,9-decadienoate Esi+14.752984",250.1899,14.752984,1.456098289,1.569139427,1.401775771,1.420276656,1.557717425,1.525918069,1.492738067,-1.397753466,-1.597348282,-1.159640352,-1.313724852,-1.53196236,-1.48129477,-1.34389131
7485,C21 H34 N6 O5,Tyr Arg Leu,450.2584,12.550027,0.324727096,0.045184533,0.752730938,0.223208327,0.424033801,0.407529455,0.255935162,-0.139573869,0.048366951,-0.363783971,-0.025398927,-0.252193108,-0.21963717,-0.087954109
7486,C32 H60 O6,C32 H60 O6 Esi+15.034966,540.4401,15.034966,1.465776233,1.651113542,1.126997836,1.424347276,1.401592523,1.538253426,1.389214148,-1.989912951,-2.516070976,-1.362215658,-1.920517883,-2.063741367,-1.944575954,-2.019143383
7487,C26 H53 Cl N8 O4,C26 H53 Cl N8 O4,574.3922,15.099052,0.551537005,0.495694056,0.628797129,0.635418726,0.445264844,0.342337878,0.628901308,-0.41306089,-0.37666668,-0.456478544,-0.454329585,-0.393211585,-0.22188275,-0.53632048
7488,C25 H32 O7,"17,18-dehydro-clavulone I Esi+12.582015",466.1977,12.582015,1.86934511,1.550727997,2.269678906,1.812806097,1.993868617,1.754606598,1.961143501,1.542134667,1.273406629,1.862722501,1.416566078,1.724221109,1.395420909,1.636726432
7489,C13 H10 O3,3-phenoxybenzoic acid,236.0451,4.7039905,0.081280777,0.393888463,0.384409288,0.177125603,0.035252223,0.142117001,0.020905944,-0.062974464,-0.323845763,0.24824042,-0.056729563,-0.07068429,-0.120798789,-0.02569299
7490,C17 H31 N O4,C17 H31 N O4 Esi+8.270014,313.2251,8.270014,0.021264938,0.007932706,0.155002248,0.068861783,0.050883416,0.118338131,0.139225494,0.032068582,0.143126256,-0.100421274,0.032548917,0.013694732,0.236142677,-0.099505505
7491,C49 H81 N5 O13,C49 H81 N5 O13,947.5515,14.104984,0.967454073,1.034443718,0.762371723,0.936435784,0.850287885,0.853936205,0.933520971,-0.746641289,-0.857432132,-0.614469757,-0.679857792,-0.860718201,-0.65668683,-0.804638243
7492,C13 H26 N2 O2,C13 H26 N2 O2,242.1938,8.607024,0.922181004,1.121066607,0.566057672,1.037473823,0.782721183,1.143202584,0.708388068,-0.865210844,-1.036365543,-0.66102629,-0.888533037,-0.836070377,-0.974274447,-0.794893521
7493,C30 H O17,C30 H O17,632.9203,12.757017,0.386115243,0.332367634,0.629174727,0.51332847,0.30743546,0.400651837,0.425535046,0.214921322,0.174940087,0.262618233,0.268655695,0.126300377,0.231176833,0.204440795
7494,C23 H32 N4 O4,Nummularine F Esi+12.875 :2,428.2413,12.875,1.722952353,1.389492238,2.012288415,1.534939067,1.895428728,1.566319633,1.771482065,2.455425672,2.148098435,2.822061675,2.245901578,2.755741502,2.265591439,2.577818796
7495,C17 H36 O4,C17 H36 O4,304.2606,13.517031,1.028551562,1.18091786,0.862911197,1.059322937,0.94123937,1.188187305,0.859872162,-0.32489731,-0.3761093,-0.263802306,-0.316417993,-0.307295574,-0.392466931,-0.281332686
7496,C22 H43 N O4,C22 H43 N O4,385.318,11.762962,0.453187013,0.494521661,0.236219295,0.437436047,0.258135442,0.675800291,0.2040277,-0.230113563,-0.354678135,-0.081510213,-0.28124908,-0.148096821,-0.428676968,-0.10209242
7497,C34 H66 N O8 P,PE(17:1(9Z)/12:0) Esi+9.983985,646.4366,9.983985,0.887218617,0.891623874,0.767414333,0.911719586,0.759709306,0.986886113,0.740195211,-0.582596256,-0.620307397,-0.537607527,-0.593321616,-0.566036946,-0.644312098,-0.542805779
7498,C27 H40 O6 S,29-demethylgeodisterol-O-sulfite Esi+6.3979864,492.2521,6.3979864,0.548155492,0.238334522,0.879311667,0.440404007,0.689399503,0.200867144,0.732247066,-0.377913822,-0.150669368,-0.649012469,-0.25609093,-0.568602569,-0.110831914,-0.550111368
7499,C15 H24 N6 O5,His Asn Val Esi+7.4250097,368.1813,7.4250097,0.236904012,0.241981677,0.217694208,0.253601208,0.278453903,0.277738984,0.224927594,-0.094785034,-0.098871271,-0.089910225,-0.084954625,-0.130869071,-0.060716653,-0.116750175
7500,C30 H48 O4,Corosolic acid,472.3552,15.305971,0.397687403,0.625780332,0.087675658,0.709469449,0.036576869,0.753301699,0.144797267,-0.185561243,-0.309934886,-0.03718567,-0.319507641,0.008807645,-0.396134439,-0.049796946
7501,C29 H55 O12 P,PI(20:1(11Z)/0:0) Esi+13.169985 :1,626.3429,13.169985,1.899292464,1.701820083,1.948910037,1.771838907,1.906372042,1.69357882,1.953588629,1.892175938,1.779243719,2.026902094,1.829986186,1.972888322,1.772342468,1.969436991
7502,C34 H74 N9 O S4,C34 H74 N9 O S4,752.4893,11.303973,1.197844238,1.19761926,1.228536341,1.236540956,1.042816524,1.286111961,1.164890392,0.65807265,0.700747846,0.60716189,0.710150617,0.551989502,0.764240812,0.589622124
7503,C40 H58 O3,OH-Demethylspheroidenone,585.4268,14.239991,0.139713205,0.305388809,0.194323826,0.102886254,0.157916414,0.067232545,0.121236049,-0.085536628,-0.225541874,0.081487175,-0.079753675,-0.120306919,-0.076143606,-0.091592655
7504,C34 H50 O8,"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone Esi+7.6130123",603.3823,7.6130123,1.039523708,0.897734245,1.164656607,0.995761514,1.02628276,0.792926901,1.097038922,-0.591103948,-0.468574031,-0.737279989,-0.536024999,-0.679269078,-0.417037437,-0.703331041
7505,C20 H38 N17 O3,C20 H38 N17 O3,564.3398,12.827958,1.476721824,1.326764353,1.7035219,1.585705782,1.439227094,1.493099598,1.509437609,0.890081765,0.808907006,0.986921829,0.91991832,0.849725202,0.867180922,0.904846783
7506,C14 H20 N6 O5,C14 H20 N6 O5 Esi+5.3730035,352.1746,5.3730035,0.180920212,0.083521386,0.176783311,0.019909455,0.347946835,0.108537346,0.142515588,-0.038709695,-0.029207323,-0.050045858,0.075951954,-0.208595188,0.009291667,-0.069657941
7507,C28 H50 N6 O S2,C28 H50 N6 O S2,546.3532,14.45403,0.638314554,0.641897467,0.562261674,0.704415142,0.477861065,0.546666127,0.540107114,-0.477169091,-0.461230993,-0.496182963,-0.428513303,-0.562101075,-0.363467331,-0.550476805
7508,C33 H42 O4,Kolanone Esi+11.85203,502.3153,11.85203,0.937207942,0.742172896,1.301516701,0.922112746,1.030517727,0.954904911,1.007413138,1.148445866,0.92458201,1.415511518,1.148615426,1.129144289,1.095980768,1.182272047
7509,C18 H24 N2 O5,Funebrine,348.1674,5.432994,0.011918019,0.195893834,0.092202913,0.152675927,0.050243529,0.002002653,0.092470547,-0.003999275,0.100665245,-0.128862211,0.054969305,-0.054004812,0.010270632,-0.01319961
7510,C14 H16 N4,Imiquimod Esi+7.5030174,240.1356,7.5030174,0.098969297,0.120656595,0.030313162,0.301643692,0.222320522,0.608043464,0.292979749,0.007147341,-0.039297987,0.062555803,-0.092355636,0.142324309,-0.198084418,0.139467818
7511,C10 H14 N6 O4,2-Aminoadenosine Esi+5.223012,282.1078,5.223012,1.405529216,1.201279164,1.366783346,1.168788986,1.516161948,1.041013282,1.405686345,-0.672107939,-0.581478548,-0.780227213,-0.561971467,-0.841671618,-0.52147178,-0.769228621
7512,C15 H24 N6 O6,Gln His Thr Esi+9.022976,384.1765,9.022976,0.165595275,0.293063074,0.057037603,0.232344368,0.038333955,0.041055519,0.226380484,-0.106562128,-0.116392607,-0.094834539,-0.158450814,-0.051144933,-0.044020656,-0.146884919
7513,C31 H40 O4,4-O-alpha-Cadinylangolensin Esi+7.7239995,476.2954,7.7239995,0.186582293,0.468288976,0.225611713,0.239310781,0.001017799,0.488340848,0.004855287,0.073128481,0.227479335,-0.111009379,0.124841462,-0.022714852,0.239506439,-0.034141518
7514,C8 H16 O2,2-Hydroxyoctan-3-one,144.1148,6.586022,0.467476197,0.515989998,0.259369295,0.494764016,0.344294634,0.408186308,0.426849759,-0.178540144,-0.264399734,-0.076111158,-0.217080909,-0.147744636,-0.15620266,-0.192941942
7515,C23 H32 O3 S,7?-(Thiomethyl)spironolactone Esi+7.3909936,388.2074,7.3909936,0.380531524,0.464522889,0.137180761,0.414048844,0.161551321,0.477726418,0.231293788,0.293165533,0.466364142,0.086542631,0.440311881,0.088981686,0.459019427,0.186233418
7516,C35 H20 N11 O5 P,C35 H20 N11 O5 P,705.1384,9.975,0.040576987,0.203641895,0.231105626,0.103963721,0.071802015,0.079111513,0.0773521,0.105359209,-0.00320283,0.234871816,0.18731234,-0.010235826,0.168493333,0.064654313
7517,C24 H54 N3 O S3,C24 H54 N3 O S3,496.3554,15.258039,0.259598486,0.312501616,0.011829951,0.168930182,0.37674002,0.090036499,0.246207628,-0.098123258,-0.122895439,-0.068570479,-0.034009254,-0.197004164,-0.059758689,-0.122858308
7518,C36 H43 N6 O3 P,C36 H43 N6 O3 P,638.3137,13.976019,0.720304695,0.969333951,0.343411735,0.87544347,0.448507691,1.010774978,0.532570497,-0.343080635,-0.550889696,-0.09516807,-0.441493162,-0.188689549,-0.515984818,-0.231602937
7519,C28 H48 O5,2-Deoxybrassinolide Esi+13.99503,447.3211,13.99503,0.165126281,0.04621642,0.38335039,0.145976403,0.216699617,0.073431469,0.176186483,0.026005186,0.152176829,-0.124515371,0.110403157,-0.119657453,0.095519657,-0.018813355
7520,C22 H28 N2 O11,Cappariloside B,496.1708,5.817007,0.192510215,0.076097413,0.291677156,0.049427426,0.251093255,0.20809148,0.127263633,0.151463585,0.092809141,0.221437308,0.085863051,0.23903113,0.206457953,0.11600669
7521,C47 H92 N O10 P,PS(22:0/19:0) Esi+14.107968 :1,861.6371,14.107968,0.749285454,0.780333981,0.348482292,0.724079481,0.540355919,0.643976641,0.67929732,-0.367099602,-0.484130267,-0.227484073,-0.353167014,-0.388713089,-0.349929027,-0.378170105
7522,C23 H42 N17 O11,C23 H42 N17 O11 Esi+5.258989,732.324,5.258989,1.996040613,1.926751044,2.038279734,2.04088967,2.029000985,1.962501817,1.999341888,2.836455276,2.782069613,2.901336418,2.803039252,2.896635789,2.9978322,2.732409627
7523,C20 H43 N O3 P S2,C20 H43 N O3 P S2,440.2497,10.760008,0.127949022,0.13439299,0.189715491,0.057831629,0.241160895,0.063485284,0.302914285,0.154048518,0.109616591,0.207055027,0.202830321,0.096934694,0.113824016,0.179982736
7524,C32 H10 N O21,C32 H10 N O21,743.9749,10.326013,0.480849582,0.646485247,0.237265303,0.34807438,0.495847975,0.592257017,0.383137178,0.223324022,0.31389575,0.115273539,0.218158363,0.204657673,0.321040769,0.160322435
7525,C20 H30,ar-Artemisene,270.2303,7.5,1.172006777,1.14845258,1.21384062,1.220810394,1.142507091,1.264535398,1.12843995,-1.21515525,-1.328592886,-1.079826141,-1.322649412,-1.107328639,-1.36602047,-1.117886885
7526,C21 H30 N4 O5,Thr Leu Trp,435.2447,9.099,1.288387862,1.284922027,1.271117514,1.196618587,1.410592844,1.438832689,1.234664258,1.393381916,1.416045978,1.366344088,1.249123936,1.56237249,1.527618057,1.306834931
7527,C24 H44 N13,C24 H44 N13,514.3814,15.531985,0.064798806,0.10065421,0.450099797,0.062963487,0.184012331,0.020210997,0.223457765,0.153733366,0.052957663,0.273957011,0.151496308,0.145834726,0.105034189,0.185131519
7528,C20 H41 N13 O P,C20 H41 N13 O P,508.3141,14.4220495,0.185348324,0.05058487,0.437416817,0.330885891,0.092389718,0.381402637,0.148365104,0.184332318,0.094080132,0.292001593,0.229919616,0.107661175,0.23861596,0.149333655
7529,C28 H52 O5,C28 H52 O5 Esi+15.221974,468.381,15.221974,0.893858113,1.067023152,0.451613506,0.854221488,0.847745576,0.835137025,0.829191596,-0.609721503,-0.842374728,-0.332170287,-0.520731704,-0.757608205,-0.549114503,-0.648797068
7530,C43 H65 N5 O10,Telithromycin Esi+8.201021,828.5035,8.201021,0.394765912,0.060238167,0.761973084,0.539882277,0.316498998,0.280607603,0.484908768,-0.224107646,-0.025958176,-0.460496488,-0.23021677,-0.239579119,-0.096050641,-0.306670716
7531,C36 H72 Cl N6 O4 S,C36 H72 Cl N6 O4 S,719.4994,10.059003,0.003493619,0.191843746,0.290965744,0.012760676,0.119378525,0.106045619,0.077817496,-0.003822338,0.133265821,-0.167366107,0.032181672,-0.063669174,0.110720927,-0.077672601
7532,C29 H46 F2 O2,"24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 Esi+8.345976",486.3284,8.345976,0.889210117,0.967694939,0.795767485,1.076917121,0.596244095,1.224149318,0.644926029,-0.648532948,-0.630525409,-0.670015626,-0.790737665,-0.455243048,-0.72744524,-0.597655286
7533,C35 H34 Mg N4 O6,7-Hydroxychlorophyllide a,630.2371,6.4849877,0.19612139,0.147009494,0.25135367,0.263963848,0.175291502,0.206980413,0.193542434,0.187074954,0.124140599,0.262154536,0.169072085,0.215693555,0.184857734,0.188504478
7534,C15 H27 N3 O,C15 H27 N3 O,265.2162,6.822013,1.042312933,0.901269973,1.142088097,1.110609162,0.837952606,0.933902758,1.058651779,-0.811692626,-0.803936461,-0.820945596,-0.926648814,-0.666061207,-0.817914074,-0.80768143
7535,C19 H21 F O4,1-Dehydro-9-fluoro-11-oxotestololactone Esi+4.8090014,332.1448,4.8090014,0.104727819,0.155472214,0.071328186,0.440270031,0.160615299,0.409530798,0.136229083,0.100193316,0.161558759,0.02698542,0.267525544,-0.141803395,0.29729504,-0.026885426
7536,C17 H18 N O24 P S,C17 H18 N O24 P S Esi+11.63698,682.9671,11.63698,0.111368447,0.222264897,0.177385378,0.229807634,0.075423423,0.062620621,0.073723559,-0.006454663,-0.078400584,0.079375559,-0.019721599,-0.013226,0.023240275,-0.025600083
7537,C14 H26 O6,1-Octen-3-yl glucoside Esi+4.5729985,312.1545,4.5729985,0.636799531,0.570676173,0.565377075,0.700997405,0.483881914,0.563732156,0.594145127,-0.395014763,-0.458625361,-0.319128436,-0.454272139,-0.324828827,-0.38184392,-0.403506491
7538,C19 H39 N O3,Palmitoyl Serinol,329.2923,11.525976,0.259134373,0.371595125,0.074607263,0.360129237,0.09505001,0.515089895,0.055978545,-0.230075605,-0.358106341,-0.077337182,-0.33434015,-0.063434366,-0.404940193,-0.117333962
7539,C15 H21 N O6,Domoic acid,310.1389,7.7459803,0.206552617,0.291716083,0.00864905,0.256192869,0.019043607,0.373134578,0.065868089,-0.142277867,-0.18807964,-0.087637155,-0.217679165,-0.019448109,-0.247272632,-0.074583873
7540,C25 H40 N2 O6 S,"14,15-LTD4 Esi+10.863019 :1",496.265,10.863019,1.424968948,1.22588072,1.760467325,1.334519366,1.564787302,1.485607461,1.460195602,1.858240533,1.620101722,2.142335955,1.825268062,1.904218593,1.837572248,1.871566137
7541,C31 H42 N6 O7,BQ 123,609.3021,12.069998,1.877069078,1.895279597,1.820208009,1.942155344,1.818024325,1.867554723,1.827868963,-1.559440978,-1.583004933,-1.531329593,-1.662631654,-1.422992736,-1.652800658,-1.499248553
7542,C25 H34 N2 O3,Tilorone,427.2774,7.5059876,0.92898985,1.005903377,0.780000157,1.037174481,0.756379683,0.885197184,0.918675112,-0.549582227,-0.557875615,-0.539688361,-0.559566705,-0.55044039,-0.510314859,-0.574899346
7543,C11 H7 O4,C11 H7 O4,203.0342,2.6710017,0.248981103,0.199135405,0.332202355,0.187984058,0.408659777,0.077534154,0.398470052,0.050675769,0.02572965,0.08043605,0.013161382,0.139182302,-0.014085249,0.092429583
7544,C21 H49 N4 O8,C21 H49 N4 O8 Esi+9.498019,485.3568,9.498019,0.217234468,0.141415127,0.237739573,0.274821086,0.044254558,0.224774391,0.071344918,-0.388763797,-0.311871259,-0.480495246,-0.539448913,-0.224974155,-0.487532687,-0.325083855
7545,C21 H40 N4 O12,Saccharocin Esi+12.071027,557.2885,12.071027,1.273753267,1.318401969,1.240017297,1.393495833,1.058922625,1.306239415,1.202406281,-1.200527733,-1.280167951,-1.105518349,-1.415680949,-0.908013804,-1.41727606,-1.0607821
7546,C18 H31 N O,Crucigasterin 277 Esi+10.657979,277.2404,10.657979,1.112621276,1.30418062,0.817834728,1.198478515,1.167213351,1.36350988,1.006653587,-0.381883164,-0.504934574,-0.235084991,-0.385695793,-0.369777415,-0.431533661,-0.349871659
7547,C15 H40 N20 O,C15 H40 N20 O,516.3694,7.792993,0.713266619,0.62113415,0.875014845,0.864881868,0.509039771,0.730359295,0.665400669,-0.406808676,-0.313443778,-0.518191361,-0.447216691,-0.372378973,-0.336486988,-0.452147659
7548,C13 H N O20 P S,C13 H N O20 P S Esi+9.604003,553.8545,9.604003,0.502821059,0.710181217,0.217950125,0.42056476,0.496651798,0.636114712,0.411059472,0.251604446,0.380033214,0.098391178,0.258853716,0.219440171,0.37104275,0.17459817
7549,C42 H62 O11,Avermectin A1a monosaccharide Esi+15.235038 :1,764.4111,15.235038,1.524990373,1.455496816,1.638604083,1.565716393,1.510590916,1.601516455,1.48391385,1.26530754,1.238819827,1.296906916,1.296676484,1.220938215,1.349663616,1.21092007
7550,C13 H6 Br2 F6 N2 O2 S,Thifluzamide Esi+9.151996,524.8337,9.151996,0.110364071,0.132220289,0.051625581,0.076533814,0.388137378,0.17539527,0.26726347,-0.135267409,-0.048463861,-0.238822519,-0.324244228,0.101535554,-0.306695567,-0.02474136
7551,C14 H20 O7,4-Methoxybenzyl glucoside,300.1183,4.878001,0.651043806,0.375837689,0.954809045,0.658914203,0.734830607,0.56743011,0.649884704,-0.464992911,-0.198459776,-0.782962265,-0.353025195,-0.63615922,-0.309722723,-0.565101322
7552,C19 H29 N6 O7 S5,C19 H29 N6 O7 S5,613.0709,12.757016,1.221365368,1.157730075,1.332565048,1.240032064,1.195677036,1.048261415,1.379883464,0.65158463,0.658192214,0.643701898,0.66006081,0.640292609,0.566000019,0.706764181
7553,C21 H31 N O7,Meptazinol glucuronide,426.2355,11.996987,2.501533771,2.504058249,2.680645356,2.536302884,2.750902841,2.468057308,2.696832815,2.580472513,2.448302499,2.738149022,2.319675639,2.918929905,2.333706856,2.739571424
7554,C59 H83 Cl N2 O4,C59 H83 Cl N2 O4,918.605,13.133038,0.421360176,0.372760079,0.479981303,0.428055749,0.437612315,0.532353918,0.363809585,0.205832551,0.216139537,0.193536498,0.22463939,0.160208155,0.275986166,0.160601931
7555,C24 H51 N O10,C24 H51 N O10 Esi+10.474014,513.3513,10.474014,0.318206329,0.239244768,0.408714537,0.493233619,0.159729925,0.114097888,0.425986562,-0.07648765,-0.007581036,-0.15869203,-0.091953818,-0.093343589,0.095602849,-0.187440734
7556,C21 H2 O20 P,C21 H2 O20 P Esi+10.021979,604.8887,10.021979,0.745077972,0.685555866,0.688200053,0.478179478,0.923339251,0.520616174,0.78179595,0.294179469,0.320766346,0.262461792,0.20601877,0.413188024,0.26449881,0.313315684
7557,C27 H42 N7 O19 P3 S,"3,4-Didehydroadipyl-CoA Esi+14.10003",915.1341,14.10003,0.632760059,0.573733458,0.631594009,0.683581787,0.447331392,0.542161386,0.61919293,-0.299745148,-0.273805445,-0.330690758,-0.268892513,-0.353871143,-0.228697653,-0.345552085
7558,C42 H79 O12 P,PI(P-18:0/15:1(9Z)) Esi+13.802982,805.5193,13.802982,0.208153492,0.14552458,0.783512567,0.109236245,0.364077792,0.023806727,0.40379851,0.296542376,-0.021040099,0.675412698,0.221871732,0.386066314,0.073130959,0.440583948
7559,C19 H51 N24 O4 P,C19 H51 N24 O4 P,709.481,12.919984,0.259187822,0.35371765,0.036119474,0.300702671,0.016421296,0.190554223,0.167852764,-0.106711251,-0.140697369,-0.066166409,-0.101810326,-0.135460288,-0.058008175,-0.138111918
7560,C18 H4 N2 O16 P S2,C18 H4 N2 O16 P S2,598.874,6.9239845,0.890879737,0.658568098,0.984706707,0.564646961,1.146528276,0.623087574,0.918984022,0.560664918,0.401574923,0.750456491,0.388872535,0.790559989,0.395766769,0.66698083
7561,C17 H26 N2 O3,W123,323.2186,6.9270015,1.236361076,1.355807591,1.038061835,1.126091852,1.538625549,1.156189855,1.386577142,0.858877175,1.058030676,0.621290542,0.788480443,0.956564879,0.799245363,0.897324001
7562,C18 H26 N2 O2,CAY10435,302.1989,7.597008,1.114489329,1.087839135,1.05639281,0.918277793,1.331781224,1.06923443,1.138853608,-0.691293421,-0.650856903,-0.739533478,-0.602826224,-0.803530178,-0.658958263,-0.712141089
7563,C40 H32 Cl3 N9 O4 S2,C40 H32 Cl3 N9 O4 S2,869.1092,14.315976,1.149875948,1.33274009,0.866558482,1.308623574,0.91541293,1.168245413,1.118791258,-0.590370769,-0.705166649,-0.453421298,-0.63383762,-0.533519349,-0.512194447,-0.640773924
7564,C52 H93 N12 S3,C52 H93 N12 S3,981.68,11.597982,0.365484834,0.260516002,0.550260878,0.327151727,0.410387366,0.53464532,0.298473286,0.21351902,0.190857272,0.240554088,0.229056894,0.161895903,0.330125918,0.138338256
7565,C47 H68 Cl N2 O S,C47 H68 Cl N2 O S,743.5017,13.316968,0.108480604,0.200605611,0.675017395,0.017340472,0.380355295,0.044267395,0.241500058,0.101671881,-0.176118751,0.433071231,-0.002885039,0.262985231,-0.023793956,0.182564329
7566,C26 H52 N3 O S2,C26 H52 N3 O S2,486.3526,14.711969,0.696996711,0.764254959,0.40419567,0.624363649,0.657809902,0.546850183,0.659481409,-0.318082826,-0.423226346,-0.192648452,-0.21585666,-0.477874955,-0.237156809,-0.37025881
7567,C21 H35 N O4,C21 H35 N O4 Esi+9.452987,365.2668,9.452987,0.435647599,0.405198567,0.480042998,0.444891846,0.469514595,0.496242509,0.448995759,0.35231403,0.351048885,0.353823325,0.362431648,0.321247179,0.375870853,0.337126078
7568,C27 H39 N3 O2,Lyngbyatoxin Esi+13.351015,459.2827,13.351015,0.85646032,0.544258477,1.263200381,0.84755083,0.912991773,0.858000153,0.892385692,0.894851112,0.581970292,1.268112443,0.833850018,0.981749984,0.779189958,0.96942212
7569,C15 H31 N S2,"Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine",289.1886,6.2069974,1.378082563,1.351785177,1.529404904,1.296936555,1.530258822,1.586385576,1.332036499,1.210660005,1.194898062,1.229463726,1.264455916,1.127800999,1.304387094,1.150230698
7570,C17 H21 N O2,Desomorphine Esi+7.3179936,271.1575,7.3179936,0.186809829,0.279927005,0.066866743,0.30787626,0.057943802,0.089520952,0.236950228,-0.221528296,-0.301762071,-0.12581081,-0.274682768,-0.159528575,-0.155602488,-0.264033093
7571,C16 H34 O4,C16 H34 O4 Esi+12.330012 :1,290.2455,12.330012,0.07337773,0.25999686,0.174122606,0.133818462,0.018248513,0.172268062,0.016482637,0.033221457,-0.078681266,0.166719444,-0.004048608,0.062213405,0.023096621,0.039749313
7572,C14 H22 O4,(-)-trans-C75 Esi+9.391006,254.1517,9.391006,0.371350193,0.623015186,0.00129632,0.283456791,0.385141135,0.339915401,0.355644966,-0.209390391,-0.316357063,-0.081781028,-0.207921184,-0.21992644,-0.230068833,-0.196058238
7573,C26 H49 N14 O3 P,C26 H49 N14 O3 P,636.3858,13.5649605,0.327961244,0.083402194,0.747100715,0.339600973,0.400871184,0.268760699,0.440767905,0.38461324,0.159434011,0.653248111,0.348764398,0.427209696,0.23472464,0.481251944
7574,C25 H41 N O7,Lycoctonine Esi+12.35002,467.2937,12.35002,1.793643676,1.971445395,1.485517995,1.806344047,1.648015107,1.916128828,1.668588263,1.198868852,1.371660727,0.992731177,1.259843365,1.095895697,1.316695658,1.12290157
7575,C34 H54 N3 O12,C34 H54 N3 O12 Esi+12.604003,696.3706,12.604003,0.222665735,0.161260698,0.328438915,0.364754958,0.047362335,0.313786692,0.215794167,0.314471518,0.247015109,0.394945832,0.488592445,0.052647503,0.395825088,0.262019875
7576,C45 H72 O14,Hebevinoside VII,836.4902,14.031005,0.309610799,0.189029252,0.403799518,0.287033467,0.300670887,0.267917603,0.357042752,0.266283248,0.197629842,0.348185558,0.27831573,0.239642561,0.258163452,0.27151838
7577,C44 H74 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))",792.5441,12.716002,0.457736779,0.308786077,0.667494542,0.442209223,0.466386395,0.471719904,0.459200861,0.304238855,0.250572999,0.36826128,0.323277164,0.254676045,0.353392943,0.272547404
7578,C43 H89 Cl N8 O P S2,C43 H89 Cl N8 O P S2,861.6031,13.909974,0.639046185,0.763957028,0.206628136,0.571683431,0.517600589,0.39399054,0.601990689,-0.536474876,-0.722964902,-0.313995546,-0.483915653,-0.62235591,-0.403466717,-0.622230136
7579,C37 H46 O19,Epimedoside E,794.2619,14.371027,0.539215696,0.739755642,0.175758129,0.529559989,0.341915663,0.659821576,0.338714117,-0.206412045,-0.295490483,-0.10014303,-0.260020809,-0.124543767,-0.314999232,-0.136401885
7580,C22 H31 N5 O4,Lys Pro Trp,429.2393,5.879013,1.747316404,1.753116014,1.826384677,1.709788837,1.936282767,1.807438659,1.796124821,2.545355015,2.328605807,2.803933018,2.410874935,2.752891198,2.395233192,2.642144086
7581,C28 H13 Cl N6 O3 S,C28 H13 Cl N6 O3 S,548.0457,12.652025,0.552373978,0.631157938,0.261148602,0.652370711,0.252651069,0.505634031,0.455929023,-0.171020635,-0.238765906,-0.090201716,-0.185034558,-0.165476117,-0.164528084,-0.175206622
7582,C20 H51 N22 O5 P,C20 H51 N22 O5 P,710.422,13.512961,1.919985651,1.757002001,1.91678542,1.880452338,1.855280639,1.796760653,1.910257378,2.418264403,2.265366159,2.600669326,2.409481583,2.412428566,2.320531076,2.48127668
7583,C28 H52 O5,C28 H52 O5 Esi+15.150945,468.3816,15.150945,1.701025345,1.872111055,1.454228558,1.814624023,1.582263732,1.789537344,1.647012008,-1.300822394,-1.549589782,-1.004047265,-1.255922217,-1.379858321,-1.252978981,-1.331668805
7584,C18 H35 N4 O3,C18 H35 N4 O3 Esi+10.052983,355.2739,10.052983,0.053650592,0.183915796,0.083193072,0.170026255,0.129313807,0.03551693,0.00470534,0.010500068,-0.041466767,0.072495591,-0.019501787,0.063672925,-0.001883262,0.018484057
7585,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.998013 :1",214.1204,6.998013,0.628722788,0.629304953,0.453604516,0.753261496,0.469973112,0.516868905,0.54731754,-0.279178353,-0.310274831,-0.242080801,-0.251797539,-0.325593352,-0.204639422,-0.327236349
7586,C21 H49 N11 P,C21 H49 N11 P,484.3758,14.614013,1.080427709,1.143710443,0.864351217,1.06377202,1.005030234,0.891010633,1.083141308,-0.76844482,-0.874462949,-0.641967051,-0.671105911,-0.928878593,-0.51467653,-0.932058585
7587,C49 H93 O13 P,PI(18:1(9Z)/22:0) Esi+11.625982,942.6094,11.625982,1.043363707,0.907046018,1.150118191,1.004535435,0.949692282,1.105359188,0.954811541,0.593282346,0.58637333,0.601524681,0.616214636,0.52840048,0.703122653,0.522464254
7588,C22 H39 N,C22 H39 N,317.3078,13.739012,0.595381085,0.72354663,0.238086632,0.483670731,0.530650537,0.733013687,0.406937844,-0.326450565,-0.391695296,-0.248614747,-0.282866693,-0.371514847,-0.40158611,-0.278007912
7589,C30 H34 Cl3 N6 O6 S4,C30 H34 Cl3 N6 O6 S4,807.0483,12.257014,0.196957607,0.254769627,0.002326942,0.303010052,0.036646368,0.069588744,0.220930911,-0.034029928,-0.071465753,0.010630356,-0.048949831,-0.040698859,0.023236286,-0.070951565
7590,C14 H27 N O3,C14 H27 N O3,257.1985,8.477021,0.337758783,0.379535048,0.232181163,0.391532331,0.246819694,0.095460438,0.417812683,-0.151393677,-0.187454723,-0.108373483,-0.155689469,-0.16004246,-0.036699429,-0.225341285
7591,C13 H26 N6 O5,Thr Ala Arg Esi+6.2440085,363.225,6.2440085,0.836746149,0.966977181,0.51290076,0.802662778,0.712594328,0.870624041,0.735682636,-0.54037145,-0.636607164,-0.425563932,-0.539765355,-0.526213894,-0.556040302,-0.530269164
7592,C19 H2 O21 S,C19 H2 O21 S Esi+9.604003,597.8806,9.604003,0.317989423,0.550955046,0.030793647,0.25194189,0.343645763,0.536167424,0.19992825,0.147161059,0.296119992,-0.030544335,0.165311209,0.098291342,0.306312571,0.044550216
7593,C36 H62 O10,Notoginsenoside R9 Esi+15.61696,671.4626,15.61696,0.192590955,0.20033146,0.145886183,0.258879332,0.14461495,0.091162095,0.196940988,-0.073318075,-0.10591021,-0.03443623,-0.061141077,-0.088614266,-0.03318037,-0.099196333
7594,C45 H82 O15 P2,"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0]) Esi+13.82001",924.507,13.82001,0.051878628,0.045316626,0.120855624,0.000504828,0.077826794,0.163048815,0.005213067,0.108041075,0.092577481,0.126488872,0.126672633,0.060868246,0.187215123,0.05699465
7595,C36 H6 N7 O10 P,C36 H6 N7 O10 P,726.9906,14.079034,1.640140222,1.625808952,1.763280718,1.655865763,1.815592755,1.634406974,1.723032629,0.895851292,0.902001818,0.888513822,0.900906005,0.919985826,0.891705092,0.8985245
7596,C28 H50 O5,6?-Hydroxy-castasterone Esi+15.079039 :1,466.3653,15.079039,1.436614836,1.522953342,1.184513481,1.30284817,1.447869934,1.3860498,1.377481499,-0.943404143,-1.133268053,-0.716899828,-0.777861253,-1.173610109,-0.868590884,-0.991639007
7597,C18 H O18 S2,C18 H O18 S2 Esi+9.197016,568.8599,9.197016,0.346882492,0.555987808,0.145657739,0.193142399,0.579433663,0.22251335,0.390664119,0.15845343,0.294540609,-0.003896188,0.010878249,0.35169599,0.102626668,0.194447
7598,C48 H15 N5 O7 S,C48 H15 N5 O7 S,805.069,14.522966,0.734834954,0.933958739,0.387320717,0.86894723,0.505882095,0.741212696,0.619178972,-0.400476247,-0.501964533,-0.279402502,-0.414914676,-0.394498031,-0.346578367,-0.435226197
7599,C21 H27 N7 O5,O-Demethylpuromycin,456.1984,10.847991,0.082125235,0.162852192,0.088523906,0.118726765,0.072372682,0.237579047,0.003103327,-0.181302076,-0.314463583,-0.022442733,-0.246071463,-0.07626467,-0.268333236,-0.12518988
7600,C14 O17 P S2,C14 O17 P S2 Esi+10.964022,534.8294,10.964022,0.420645541,0.736459174,0.255770838,0.45451381,0.241104263,0.501827385,0.270620717,-0.153147434,-0.34038404,0.070222553,-0.16962717,-0.12442814,-0.231254446,-0.102788966
7601,C31 H53 N5 O8,Hydroxyhomodestruxin B Esi+11.074973,622.3806,11.074973,0.422189125,0.665099465,0.171996471,0.414279869,0.267746401,0.440122257,0.320851009,-0.151638746,-0.306946568,0.03364076,-0.158182308,-0.140007926,-0.207585382,-0.11556789
7602,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.792988",414.2303,9.792988,0.227583328,0.136871438,0.266968437,0.255322607,0.153594976,0.292494166,0.216842014,0.259682541,0.191596883,0.340907537,0.302567953,0.210779827,0.336561192,0.210116043
7603,C38 H69 N O13,Clarithromycin Esi+13.542984,747.4829,13.542984,0.571853945,0.379605474,0.79275446,0.682367409,0.484336143,0.574684538,0.592577006,0.503877733,0.352358335,0.684637715,0.56748478,0.397839619,0.491224534,0.512035716
7604,C11 H8 N2 O5,AF-2,248.0395,6.3509936,1.319871162,1.263687663,1.253253875,1.262571124,1.264321159,1.08108606,1.37008665,-0.881100152,-0.869569505,-0.894856012,-0.805984064,-0.981275176,-0.80653952,-0.929172139
7605,C14 H22 O4,(-)-trans-C75 Esi+9.572016,254.1519,9.572016,0.141217193,0.004149373,0.387224589,0.035758493,0.376712842,0.007895093,0.249695351,0.210319618,0.045378575,0.407091389,0.144026228,0.314171759,0.098775135,0.282236456
7606,C15 H18 O5 S,"2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate",310.0841,4.9870095,0.54743556,0.585222864,0.352721749,0.568891085,0.372695357,0.70921202,0.343387098,-0.539273299,-0.721683698,-0.321660894,-0.593941083,-0.452883492,-0.823322542,-0.356136287
7607,C21 H47 N14 O5 P,C21 H47 N14 O5 P,604.3556,13.653016,0.547770584,0.485615579,0.774439915,0.528274727,0.680206082,0.604144474,0.602207342,0.4605326,0.378753576,0.558093541,0.45892699,0.473448936,0.43879868,0.474545259
7608,C38 H48 N2,Hexafluronium Esi+13.634009,531.3741,13.634009,1.576745128,1.430175115,1.650942574,1.53632861,1.587364067,1.617906205,1.569412826,1.809147921,1.612504173,2.043740462,1.779577784,1.835862391,1.79453881,1.818566953
7609,C11 H10 N8 O2,C11 H10 N8 O2,286.0934,4.43901,0.563011881,0.652702921,0.169809558,0.216832904,0.719605398,0.494502728,0.499579472,0.647380176,1.07976508,0.131552572,0.522985528,0.782137364,0.831118025,0.528917616
7610,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+6.135008 :1",278.1127,6.135008,0.456726255,0.475348774,0.406681295,0.528034304,0.350289812,0.590857121,0.32668428,0.294193409,0.308875472,0.276677965,0.390904733,0.167582076,0.44637544,0.196076047
7611,C35 H70 O8 P S,"1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine Esi+14.461972",680.4495,14.461972,0.171516904,0.01576389,0.449671737,0.144549348,0.190629085,0.150367159,0.231805151,0.265169102,0.093178264,0.470351154,0.259770446,0.260353397,0.225401396,0.290808806
7612,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+14.395016,661.452,14.395016,0.070180106,0.027916925,0.02725238,0.029304225,0.112435253,0.141323257,0.123302077,0.183278075,0.165649179,0.204309038,0.236307137,0.089826427,0.283638152,0.118572236
7613,C37 H58 O10,cimicifoetiside A Esi+14.597969,662.4026,14.597969,0.067103854,0.014759122,0.200931931,0.046546083,0.049900782,0.101080564,0.084839973,0.155155581,0.092521387,0.229877076,0.182993992,0.08738577,0.174766164,0.142511916
7614,C50 H89 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/22:1(11Z)) Esi+10.194986",879.6127,10.194986,0.216160767,0.139302198,0.273849427,0.345276924,0.094582683,0.067385153,0.231057058,-0.13352204,-0.054594211,-0.227681555,-0.157789612,-0.122435647,0.017819471,-0.231097488
7615,C27 H44 N4,C27 H44 N4,424.3562,14.872015,0.973908997,1.041042589,0.764309041,0.907767768,0.89449965,0.90837369,0.905050471,-0.62637289,-0.808955911,-0.408554548,-0.605507093,-0.660427188,-0.659636685,-0.604926495
7616,C46 H87 O12 P,PI(P-20:0/17:1(9Z)) Esi+11.105976,884.5675,11.105976,0.997072413,0.923959008,1.049501034,0.998959985,0.858903469,1.08264454,0.917440107,0.554161644,0.578300276,0.525364679,0.601162577,0.455338417,0.673214314,0.477404001
7617,C10 Cl10 O,Chlordecone,484.6722,12.491962,0.034192566,0.017196349,0.206269199,0.016983917,0.106915945,0.08340557,0.083930458,0.070078141,0.060484702,0.081522945,0.101312276,0.013435615,0.117191584,0.039702369
7618,C25 H36 N O6,"Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl Esi+9.897975",463.2777,9.897975,0.827289241,0.537035927,1.166381142,0.657501081,0.962535413,0.615015683,0.95833255,0.975801815,0.725749492,1.274109848,0.903705941,1.079574067,0.806705715,1.0848243
7619,C31 H39 N5 O5,Ergocornine Esi+12.385009,560.2941,12.385009,0.629262707,0.406662731,0.686678975,0.642220585,0.373716643,0.574491636,0.552085571,0.457367915,0.347525555,0.588407924,0.541300871,0.332398188,0.498926217,0.430573747
7620,C30 H38 O8,Absintholide Esi+11.361006,526.2546,11.361006,0.498221514,0.330169838,0.725257685,0.467567968,0.564192145,0.502732473,0.52552335,0.576676347,0.42858288,0.753349255,0.486817512,0.698929602,0.550608172,0.593483461
7621,C13 H24 N O6,3-Methylglutarylcarnitine Esi+5.1630025,272.1277,5.1630025,0.990219968,1.142745146,0.75612697,0.983248117,1.090423303,1.160730073,0.904269391,-0.955996796,-1.038095864,-0.858054048,-0.866654996,-1.052385946,-0.989290389,-0.93453119
7622,C36 H46 N4 O S,C36 H46 N4 O S,582.3383,11.319981,0.915892215,0.81641086,1.024836154,0.930179654,0.930358179,0.529800781,1.106366848,-0.987375621,-0.922616973,-1.064631553,-0.873690173,-1.182392127,-0.640617714,-1.21094322
7623,<none>,<none> Esi+14.163029 :2,798.0613,14.163029,0.327300383,0.508517179,0.066261008,0.486670676,0.006331464,0.298887126,0.260114975,-0.112281703,-0.222407476,0.019096411,-0.147931456,-0.075567361,-0.096477561,-0.122471216
7624,C14 H2 N O23 P,C14 H2 N O23 P Esi+10.854985,582.8756,10.854985,1.108834401,1.084521285,1.17434318,1.113755791,1.079962132,1.090378846,1.172578252,0.83246505,0.854456378,0.806229783,0.86033515,0.762067192,0.886507602,0.797621826
7625,C34 H67 N2 O7 P,"PE-Cer(d16:2(4E,6E)/16:0(2OH)) Esi+9.958007",668.4496,9.958007,1.085784241,1.107041246,0.995688653,1.218993175,0.95939203,1.152863439,0.959057281,-0.709180834,-0.714631031,-0.702678845,-0.748950383,-0.646906582,-0.699554126,-0.715387528
7626,C50 H87 O10 P,"PG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",878.6042,13.548025,0.696580992,0.729849995,0.404587615,0.724498195,0.424902277,0.532778237,0.620443245,-0.278532414,-0.358485371,-0.18314994,-0.265197347,-0.312756951,-0.206886917,-0.324724906
7627,C12 H32 N12 O5,C12 H32 N12 O5,424.2669,11.126975,0.949858415,1.259359088,0.364704588,1.039388586,0.802493509,1.11323099,0.802259939,-0.418670786,-0.624434601,-0.173198165,-0.445463301,-0.369559624,-0.517595979,-0.35489007
7628,C25 H53 N21 O2 P,C25 H53 N21 O2 P,710.442,8.551019,0.489871118,0.710588741,0.126357116,0.469663265,0.371937524,0.727857448,0.303188175,0.206442253,0.349710031,0.035526306,0.244191806,0.128884313,0.370177736,0.100875954
7629,C5 H14 N O,Choline Esi+9.150013,103.0997,9.150013,0.748387789,0.69879555,0.672408109,0.782945652,0.538238675,0.804368248,0.635486464,-0.968838121,-1.023506226,-0.903620032,-1.174511283,-0.697085625,-1.191929374,-0.825002971
7630,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+9.073981 :1,440.2021,9.073981,1.384360008,1.373577309,1.403269404,1.35194999,1.392325749,1.561126775,1.290529469,1.835991241,1.843759562,1.82672377,1.743509014,1.922121948,1.981542242,1.742149148
7631,<none>,<none> Esi+8.411989,532.8319,8.411989,0.097805274,0.195469348,0.159844274,0.051707234,0.153644529,0.101910555,0.128249368,-0.000409678,0.101940663,-0.122511838,-0.037934305,0.045676119,-0.013808932,0.008229316
7632,C18 H28 N6 O5,Phe Arg Ser,425.2436,10.538005,2.280238192,2.137947499,2.458511463,2.209417338,2.436246395,2.075005293,2.428936287,1.980536366,1.808861794,2.185341118,1.829096234,2.175944795,1.802251138,2.095483421
7633,C35 H7 N5 O12 P,C35 H7 N5 O12 P Esi+13.699969,719.9833,13.699969,1.296927404,1.329106251,1.197286835,1.18485596,1.414168844,1.072666602,1.468192029,0.959569772,1.051242113,0.850206278,0.918170357,1.011283847,0.8436767,1.034290305
7634,C28 H31 F N4 O,Astemizole,480.2341,9.650016,1.646798051,1.515015631,1.594456436,1.584605466,1.5601065,1.533478354,1.632483071,3.143593496,3.029105988,3.280175085,3.105718881,3.164829977,3.080550099,3.184239896
7635,<none>,<none> Esi+12.988023,498.8091,12.988023,1.315390647,1.589195125,0.810011483,1.320257839,1.243157073,1.518755965,1.17951264,-0.6520578,-0.864826628,-0.39822832,-0.65554498,-0.626560132,-0.770693043,-0.575569288
7636,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione Esi+7.71499",140.0835,7.71499,0.478832135,0.311427318,0.772383133,0.447975,0.422469562,0.676176272,0.418691433,0.269595788,0.181419495,0.374788558,0.298174574,0.225748931,0.369099579,0.205442028
7637,C24 H49 N13 O3 P,C24 H49 N13 O3 P,598.3822,4.6719975,0.544727062,0.521719369,0.696314064,0.412896751,0.815242212,0.508339516,0.653734776,0.222708414,0.18725575,0.265002822,0.225313311,0.234340542,0.25262497,0.203420109
7638,C44 H88 N O9 P,PS(O-16:0/22:0),827.5941,15.81903,0.001136108,0.240891724,0.539055606,0.190120381,0.001000142,0.004052131,0.080605688,0.056312016,-0.087373574,0.227726404,0.079306751,0.016090577,0.046661927,0.062533784
7639,C23 H25 N2,Malachite green,328.1953,4.9270015,0.751082208,0.907980129,0.516068029,0.663959008,0.916747668,0.668047591,0.844837635,-0.966509692,-1.170290598,-0.723402646,-0.807787805,-1.200113803,-0.872182564,-1.027325866
7640,C12 H15 N5 O3,Entecavir,294.1439,6.8800044,0.586525897,0.519315509,0.594536545,0.405307899,0.623004294,0.50045259,0.538517615,-0.304109886,-0.227282088,-0.3957641,-0.298587744,-0.321145971,-0.261311338,-0.331703686
7641,<none>,<none> Esi+15.725998,980.7445,15.725998,2.008271505,1.953441838,1.848707137,1.938108489,1.876688723,1.952807034,1.880350523,-1.672999142,-1.755497501,-1.574580046,-1.691496981,-1.640197615,-1.7166955,-1.64482649
7642,C29 H48 O3,Schleicherastatin 5 Esi+15.007026,444.3591,15.007026,1.322772121,1.497431782,1.063134496,1.308387984,1.195105365,1.397106096,1.239883706,-1.035988433,-1.232411722,-0.801658894,-1.103149641,-0.937507648,-1.191117918,-0.935970738
7643,C16 H33 N8 O,C16 H33 N8 O Esi+9.433004,353.2774,9.433004,1.09472811,0.973994151,1.137792673,1.025724018,1.143743021,1.13336375,1.03811022,-0.964027111,-0.920804115,-1.015591387,-0.921526324,-1.050922722,-1.001213202,-0.940051868
7644,C15 H24 N4 O5,Gln Pro Pro Esi+4.6110034,340.1787,4.6110034,0.200005294,0.18308269,0.105852043,0.235930585,0.102511371,0.323746948,0.026580057,0.274583572,0.330976085,0.207308294,0.31930444,0.219913042,0.403349287,0.191563572
7645,C24 H48 N3 O S2,C24 H48 N3 O S2,458.3238,14.28399,0.313727369,0.066619946,0.76861492,0.222297929,0.56823687,0.315805621,0.390292007,0.292228805,0.136063982,0.4785307,0.198351031,0.42381444,0.203857746,0.349204882
7646,C42 H58 O4,Peltatol A Esi+13.683036,625.4277,13.683036,1.313679256,1.144849538,1.418870712,1.123487187,1.340625719,1.062384032,1.406497122,1.184709382,1.151532097,1.2242893,1.15886096,1.199599721,1.1536033,1.204764619
7647,C30 H47 N O4 S,Retapamulin Esi+11.334986,517.3203,11.334986,1.87390371,1.95839622,1.592824255,1.995285919,1.621794308,1.880541005,1.78184554,-2.094696396,-2.373919064,-1.761588653,-2.147343532,-1.99821784,-2.174158082,-2.04346452
7648,C43 H75 O7 P,"PA(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.688985 :1",733.518,9.688985,0.616304123,0.484687275,0.731751015,0.700137873,0.493082934,0.436641979,0.653893777,-0.396456295,-0.283029286,-0.531772727,-0.350705924,-0.474240992,-0.201571892,-0.52210545
7649,C25 H6 Cl N2 O14 S,C25 H6 Cl N2 O14 S,624.9227,13.676021,1.603335559,1.619293655,1.675308599,1.642709039,1.615295251,1.703748298,1.620816104,0.917424214,0.941989044,0.888118802,0.961282341,0.838647526,0.988177805,0.871806767
7650,C28 H55 Cl N4 S,C28 H55 Cl N4 S,514.3732,15.325978,1.000789097,1.088035612,0.801400986,1.003595994,0.970181244,0.819665579,1.04462502,-0.642758469,-0.78056558,-0.478357003,-0.552885668,-0.788821532,-0.466463438,-0.756422371
7651,C49 H84 N O10 P,"PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",876.5743,15.205023,1.056254335,1.163179137,0.763692854,0.994956162,1.019251937,1.1762189,0.935805107,-0.339035557,-0.41453201,-0.248969614,-0.344683647,-0.334370609,-0.387841863,-0.307568334
7652,C15 H22 N10 O2,C15 H22 N10 O2,373.2455,6.7590003,0.848295447,1.102936928,0.318507428,0.863748029,0.673798074,0.80075058,0.719773047,-1.037477896,-1.383625282,-0.624530136,-1.054928698,-0.961557912,-1.087029452,-1.005530182
7653,C33 H44 O2,Reticulataxanthin Esi+14.472967,472.3322,14.472967,1.305097515,1.466684616,1.059026183,1.429540027,1.121275028,1.354966494,1.233727573,-0.729312341,-0.90119945,-0.524254036,-0.777856538,-0.657162056,-0.758284302,-0.710633051
7654,C21 H32 N9 O2,C21 H32 N9 O2,442.2621,9.088991,0.164852809,0.269626368,0.094687897,0.364100638,0.142357737,0.34406864,0.126341615,-0.337031696,-0.353334719,-0.317582475,-0.56797725,-0.050133319,-0.448286138,-0.265301858
7655,C43 H72 O10,20-Deoxynarasin Esi+15.051022,770.4962,15.051022,0.480325539,0.568801297,0.335271323,0.466561453,0.434863727,0.252428285,0.537009005,-0.225666655,-0.270809633,-0.171811874,-0.201061774,-0.247896041,-0.088559306,-0.314064814
7656,C36 H60 O9,Ginsenoside Rh8,658.401,10.428977,0.820937127,0.975158064,0.505302279,0.774721471,0.693479865,0.795031805,0.77117794,0.519173339,0.673432959,0.335144318,0.541090552,0.46293761,0.576023837,0.482519728
7657,C23 H54 N25 O3,C23 H54 N25 O3,728.4866,12.914003,1.488815723,1.606303929,1.364353283,1.489211873,1.475511513,1.473573189,1.55707386,0.865506427,0.960722951,0.751914785,0.885382553,0.819336709,0.902899253,0.841397895
7658,C34 H52 N10 P S,C34 H52 N10 P S,663.3797,13.68799,0.10929793,0.17278365,0.675376341,0.234189074,0.055271388,0.149985865,0.140364729,0.125153024,-0.009032237,0.285233686,0.17034808,0.054068718,0.111117517,0.134202232
7659,C40 H60 O6,Mactraxanthin Esi+15.122019,636.4363,15.122019,0.30721223,0.117025185,0.661992326,0.497703995,0.233471741,0.404175525,0.332839935,0.28572583,0.14302503,0.455965382,0.316435048,0.237879354,0.229695345,0.321850749
7660,C28 H47 N9 O2,C28 H47 N9 O2,541.3839,9.547997,0.510245923,0.329109133,0.838650968,0.346651524,0.711172961,0.521835519,0.584998294,0.24680098,0.187182232,0.3179251,0.189303619,0.301674786,0.260188927,0.238169278
7661,C19 H30 O6,"Idebenone Metabolite (Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)",353.1947,8.863012,1.121888776,1.006064953,1.178074939,1.126292406,1.204230154,1.160606723,1.107155458,0.801552136,0.776808289,0.831071112,0.711955933,0.904264516,0.8368991,0.778762647
7662,C14 H23 N3 O6,Valclavam Esi+6.084994,329.1523,6.084994,0.322088567,0.246596468,0.390104889,0.286874296,0.348829748,0.097140573,0.401891317,-0.168405613,-0.135459916,-0.207709251,-0.174237464,-0.16827167,-0.089755442,-0.219114275
7663,C32 H46 N8 O6 S2,Bisibuthiamine,701.2893,12.111011,1.543055697,1.599144142,1.471744952,1.573811947,1.465817178,1.371513104,1.627288242,-1.117656757,-1.171890523,-1.052956826,-1.230897538,-0.97023252,-1.162900927,-1.088486174
7664,C26 H4 Cl3 N4 O3 S5,C26 H4 Cl3 N4 O3 S5,684.7949,11.881016,0.962681317,0.861081922,0.896750839,0.982489639,0.778102919,0.741532787,0.940303222,-0.650020579,-0.65624573,-0.642594084,-0.632860541,-0.700754017,-0.471478472,-0.765133254
7665,C13 H16 N7,C13 H16 N7 Esi+9.31201,270.1463,9.31201,1.253782701,1.313760678,0.905745328,1.13372216,1.173761034,1.104474541,1.199774634,-0.734225882,-0.841257914,-0.606538544,-0.634552352,-0.850731134,-0.693383634,-0.760558384
7666,C26 H44 O8,Goshonoside F2 Esi+14.233957 :1,484.3084,14.233957,0.277298884,0.095121381,0.441229535,0.466174655,0.059111475,0.656890159,0.053882025,0.267722634,0.146676964,0.412127995,0.353868224,0.148162599,0.445307191,0.153227328
7667,C13 H22 N6 O4,C13 H22 N6 O4 Esi+7.864012,326.1703,7.864012,0.236069523,0.335293531,0.161984041,0.376976661,0.116633355,0.280924997,0.214735992,-0.366359465,-0.361186295,-0.372530965,-0.454879639,-0.259438316,-0.318713976,-0.397078266
7668,C25 H29 N8 O25 P,C25 H29 N8 O25 P Esi+13.230973 :1,872.098,13.230973,0.145970112,0.214617474,0.110258767,0.144274249,0.056630542,0.027389647,0.12610118,0.004469555,-0.043165592,0.061297449,0.021097829,-0.033834901,0.050232622,-0.025035581
7669,C26 H44 O9,Mupirocin Esi+11.857003,522.2805,11.857003,1.929888868,1.63613564,2.357116778,1.900140534,2.177367282,1.703198538,2.125174338,2.484979829,2.069051255,2.981175321,2.35485694,2.756406555,2.218443253,2.65682578
7670,C23 H47 N4 O2 P S2,C23 H47 N4 O2 P S2,506.2854,12.517992,0.371491833,0.042212752,0.844739972,0.296222485,0.552226929,0.355984011,0.406995304,0.381761164,0.025141935,0.807201648,0.331631427,0.496965982,0.312535987,0.426393186
7671,C17 H18 Cl N9 O7 P S,C17 H18 Cl N9 O7 P S Esi+12.199971 :1,558.0487,12.199971,0.22219229,0.066764122,0.567449143,0.113741286,0.479780317,0.134668386,0.395109471,0.145007136,0.088860992,0.211988501,0.134204345,0.140432663,0.121295303,0.160295028
7672,C35 H56 O10,Madlongiside C Esi+14.791013,636.3854,14.791013,0.179834883,0.326533453,0.004708056,0.449699443,0.120992228,0.074808118,0.327153378,-0.090930467,-0.248096749,0.096566151,-0.235285947,0.077692263,0.097939307,-0.212701769
7673,C9 H15 N,C9 H15 N,137.1198,0.87600255,0.44495569,0.695457748,0.017702156,0.490567966,0.343022861,0.508642333,0.287775878,-0.163253328,-0.310897092,0.012883093,-0.180450978,-0.142270791,-0.244576164,-0.1108215
7674,C40 H50 O3,Anhydroamarouciaxanthin B Esi+9.609988,600.3589,9.609988,1.078541753,1.373431496,0.589049556,1.066537745,0.936006724,1.218177679,0.894690586,0.78583031,1.089533318,0.423517949,0.784938277,0.7551069,0.95325405,0.677886056
7675,C36 H65 O10 P,"PG(18:3(9Z,12Z,15Z)/12:0)",687.4287,13.156005,0.364857364,0.634609633,0.036070938,0.570074132,0.082572476,0.502139965,0.267106498,0.292570511,0.492572892,0.05397118,0.501528525,0.011593013,0.437154613,0.199351814
7676,C18 H32 O6,"2,3-dinor Thromboxane B1 Esi+12.125982",344.2186,12.125982,0.434597329,0.308730081,0.6317397,0.490936485,0.326477531,0.645967074,0.305466129,0.428726925,0.307197699,0.573709161,0.519937074,0.279817806,0.592745722,0.322977965
7677,C19 H32 O8,Dihydroroseoside Esi+5.9180007,388.2082,5.9180007,0.541112438,0.317944085,0.673178673,0.292475439,0.756087175,0.225048861,0.655440118,-0.168348475,-0.087935796,-0.26427939,-0.090401883,-0.290273514,-0.050953844,-0.244037118
7678,C41 H70 N O8 P,"PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))[U]",734.4781,14.2580385,0.824795462,0.637165441,1.085626541,0.905528041,0.740116186,0.770207274,0.865513556,0.671001768,0.515472221,0.85654579,0.691536899,0.62775437,0.633461127,0.695205603
7679,C25 H51 N8 O P,C25 H51 N8 O P Esi+14.773984,510.3912,14.773984,1.326598709,1.437376418,1.062726868,1.280234789,1.262525541,1.340022346,1.232451219,-1.015971561,-1.225603139,-0.765884767,-0.998294866,-1.055568969,-1.065410848,-0.984096232
7680,C39 H74 O11 S,C39 H74 O11 S,750.4953,12.846984,1.860415264,1.866984622,1.871274811,1.855540404,1.845778991,1.731876517,1.952645327,1.717026674,1.756263144,1.670218253,1.695744296,1.723193021,1.605834231,1.788716538
7681,C25 H32 Cl3 N21 O11 P,C25 H32 Cl3 N21 O11 P,938.1371,13.048021,0.402992469,0.385677852,0.231336118,0.421045218,0.127263755,0.219907741,0.394129508,-0.123160227,-0.159162912,-0.080209655,-0.122775696,-0.14199009,-0.064709474,-0.16084558
7682,C30 H44 O4,"16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid Esi+15.099054",468.3213,15.099054,0.764961374,0.865560054,0.533073331,0.686697974,0.753780562,0.743447634,0.694140542,-0.270637642,-0.382747973,-0.136891984,-0.232251299,-0.321552733,-0.294345284,-0.255352451
7683,C20 H38 N6 O4,Leupeptin Esi+14.271977,426.2957,14.271977,1.490003383,1.716119056,1.381306033,1.506385483,1.633814838,1.830422324,1.405850907,-1.23388177,-1.256401073,-1.207016637,-1.358530039,-1.071182558,-1.289145999,-1.198250886
7684,C30 H3 N3 O18,C30 H3 N3 O18,692.9409,9.946024,0.042612367,0.037203313,0.216711081,0.056523133,0.218465785,0.205346788,0.262231232,0.03439987,0.019125257,0.052622214,0.018118039,0.048250981,-0.050223418,0.088959621
7685,C18 H22 O,4-(1-Ethyl-2-phenylbutyl)phenol,254.1629,4.1510005,1.143592886,1.223503973,0.921622277,1.183752413,1.029832302,1.198705926,1.078808074,0.834717665,1.028883775,0.603080901,0.932724367,0.678310027,0.946332776,0.76275529
7686,C18 H49 N11 O5 P,C18 H49 N11 O5 P,530.3841,8.432991,0.594819325,0.54482404,0.630618367,0.677723131,0.381578122,0.582318139,0.54276395,-0.607199198,-0.476526874,-0.763088989,-0.727882841,-0.452054238,-0.586711938,-0.62040809
7687,C12 H29 Cl N7 O3,C12 H29 Cl N7 O3,354.202,9.128015,1.911238143,1.730602541,2.090997681,1.696654114,2.245566534,1.601791367,2.145090754,1.711952846,1.481515173,1.986860947,1.418481085,2.10052729,1.403452969,1.910854083
7688,C19 H23 N O3,6-O-Methylcodeine Esi+10.552984,330.1948,10.552984,0.45871396,0.246500085,0.740415617,0.292402243,0.627955109,0.336214067,0.570982978,0.469037112,0.32228086,0.644114745,0.455120514,0.508233055,0.384983506,0.523229568
7689,C27 H56 N O7 P,PE(22:0/0:0) Esi+10.083986 :1,536.3714,10.083986,0.828652225,0.849835863,0.79458905,1.06068983,0.485907934,0.856914813,0.704124773,-0.404704205,-0.411875162,-0.39614938,-0.438096024,-0.363897918,-0.352862776,-0.438128285
7690,C13 H14 N4 O,Diphenylcarbazide Esi+5.1829934,242.1156,5.1829934,0.153606809,0.26471607,0.046365444,0.105952001,0.204332035,0.283574507,0.029162733,-0.144414819,-0.244208192,-0.025363075,-0.139202253,-0.158801812,-0.288689683,-0.051395498
7691,C34 H56 O9,Torvoside G Esi+14.400962,608.3889,14.400962,0.841996862,0.744917471,0.895113632,0.851524877,0.735355075,0.944724102,0.742655843,0.718057347,0.712770925,0.724363956,0.769667839,0.64304281,0.881415529,0.612734309
7692,C49 H88 N3 O P S3,C49 H88 N3 O P S3,861.5816,14.156005,0.829472585,0.682331834,0.866203285,0.800003301,0.709847153,0.611389105,0.881557408,0.606881114,0.553113567,0.671024855,0.641080227,0.563187846,0.515789918,0.665610964
7693,<none>,<none> Esi+12.760988,518.6948,12.760988,0.241390383,0.344027493,0.003991859,0.392706431,0.037573788,0.239039271,0.155308751,-0.064735117,-0.10659966,-0.014791451,-0.089147126,-0.032408359,-0.063230388,-0.065705271
7694,C9 H16 O4,Butyl ethyl malonate Esi+5.984007,210.0867,5.984007,0.038260699,0.027774745,0.15065791,0.040273085,0.097783763,0.007516727,0.119918627,-0.003024965,-0.020955386,0.018365713,-0.028819259,0.010646632,-0.022844688,0.009753541
7695,C27 H42 O8,"(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside Esi+12.3930025",494.2844,12.3930025,0.368412065,0.27979119,0.452310514,0.271122326,0.429281093,0.099285303,0.559691832,0.38696137,0.305494436,0.484149992,0.324241714,0.450515205,0.117559295,0.560654812
7696,C25 H2 N O14 P S4,C25 H2 N O14 P S4,698.81,13.414003,0.588257421,0.614726834,0.424677568,0.665991523,0.374436287,0.518193586,0.536969608,-0.204359886,-0.253419477,-0.145832654,-0.245867157,-0.165172432,-0.214981342,-0.197511841
7697,C18 H19 N O26 P,C18 H19 N O26 P Esi+13.821031,695.9937,13.821031,0.034908483,0.058483823,0.230386839,0.059141268,0.159029979,0.091055809,0.052614697,0.107244117,0.071181039,0.150266736,0.119571001,0.074398428,0.161581097,0.072211064
7698,C30 H38 O4,Helilupolone Esi+9.119012,461.2719,9.119012,0.729407951,0.877509522,0.435677201,0.698225928,0.610317258,0.54744959,0.74370188,0.403584904,0.568729705,0.206570054,0.387250786,0.398455703,0.37276019,0.423458733
7699,C24 H38 O8,Rhodojaponin IV Esi+13.321029,476.2384,13.321029,1.244990207,0.888989979,1.589576837,1.13684172,1.332876789,1.101789162,1.316095656,1.067952708,0.84866431,1.329559919,0.982469115,1.195415144,0.904110361,1.173587905
7700,C32 H38 O17,Neocuscutoside C Esi+7.1199956,694.2144,7.1199956,0.437412492,0.40707154,0.419246612,0.415361868,0.341353256,0.417659984,0.415767407,0.251567565,0.27351251,0.22538763,0.279521931,0.190914038,0.267023699,0.241602426
7701,C31 H62 N20 P,C31 H62 N20 P,745.5363,13.31598,0.187405836,0.119261233,0.671409318,0.090643796,0.396239674,0.019235172,0.33540401,0.229022147,-0.11031211,0.633841963,0.154767331,0.377508949,0.006185294,0.372693276
7702,C20 H3 O10 P S3,C20 H3 O10 P S3 Esi+13.666993 :1,529.8626,13.666993,1.863200684,1.930651465,1.979865479,1.909602583,1.994897062,2.020655197,1.931880226,1.033108243,1.083193631,0.973357254,1.057389528,0.983581113,1.108794673,0.984310413
7703,C35 H62 N10 O3 P,C35 H62 N10 O3 P,701.4644,14.134018,0.626457058,0.613678116,0.540552446,0.467940971,0.739500126,0.660349728,0.555346985,-0.722309021,-0.738498514,-0.702995239,-0.527041194,-1.001392965,-0.766532802,-0.69379632
7704,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+15.071031",522.4269,15.071031,0.9886418,1.055364948,0.689391108,1.101205429,0.821395142,0.9626246,0.966964609,-0.550962792,-0.756264145,-0.30604188,-0.591405563,-0.500288745,-0.599092358,-0.519931888
7705,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.87199,258.1271,5.87199,0.980098284,0.8989343,0.850757008,0.862980887,0.898493953,1.051395753,0.831443088,0.600067355,0.604083189,0.595276536,0.592764734,0.592703004,0.730963664,0.515673682
7706,C25 H32 N2 O7,2-Hydroxyimipramine glucuronide,472.2237,11.218012,1.094264565,0.999201264,1.406609628,1.198655361,1.250192039,1.320837689,1.107247994,1.064018654,0.820043167,1.35507713,1.033431336,1.174043008,0.985627016,1.114560631
7707,C15 H3 O20 S,C15 H3 O20 S Esi+14.081037,534.8938,14.081037,0.571322284,0.634111018,0.333469896,0.680094164,0.358230052,0.489990011,0.512966737,-0.235241519,-0.276835426,-0.185620717,-0.244600501,-0.236803793,-0.182409199,-0.269304462
7708,C22 H37 N O,"N,N-dimethyl arachidonoyl amine Esi+10.09099",331.2891,10.09099,0.125753497,0.050342222,0.328833412,0.179786021,0.635895302,0.531649389,0.568516907,0.020485499,-0.041851526,0.094852476,-0.092788762,0.205097009,-0.176262174,0.147335972
7709,C21 H47 N O6 P,PC(O-12:0/O-1:0)[U] Esi+15.097963,439.3061,15.097963,0.467188946,0.320723913,0.624597284,0.80049136,0.192411107,0.660336884,0.3891637,0.295787838,0.242235921,0.359674336,0.369168705,0.173158592,0.303863339,0.290581265
7710,<none>,<none> Esi+13.418963 :1,478.829,13.418963,1.619439096,1.892734097,1.544301306,1.559727682,1.894371659,1.880802176,1.662106281,0.922266852,1.032973694,0.790195532,0.920994152,0.907098741,1.008878867,0.866424895
7711,C29 H40 O4,Norselic acid A Esi+10.206026,451.2987,10.206026,0.659257457,0.694734493,0.392024545,0.55594514,0.612177647,0.412277081,0.694209505,0.645089695,0.809689079,0.448725519,0.623439643,0.644408498,0.58185819,0.685857376
7712,C17 H11 N5 O22 P,C17 H11 N5 O22 P Esi+12.175028,667.9626,12.175028,0.533732334,0.707500774,0.29794228,0.614202529,0.448126581,0.626066869,0.473879468,-0.262023768,-0.33503978,-0.174916947,-0.255026624,-0.297652866,-0.233843607,-0.280192556
7713,C47 H79 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:2(9Z,12Z))",833.583,14.697999,1.060899994,0.953656588,1.007719249,0.919540169,1.118598045,0.849684858,1.080248744,-0.980846992,-1.048043996,-0.900682144,-1.009448793,-0.986499131,-0.945799945,-1.003443114
7714,C23 H47 N O7 P,PC(15:1(9Z)/0:0) Esi+7.8079906,479.3072,7.8079906,0.561283877,0.6359159,0.395882059,0.551914138,0.479104663,0.669793543,0.398049718,-0.488983691,-0.55862239,-0.405905945,-0.527716537,-0.431836028,-0.636164375,-0.394090882
7715,C23 H44 N13 O3 S,C23 H44 N13 O3 S,582.3388,12.435038,2.734158318,2.60215147,2.8435958,2.749922974,2.793340215,2.650247594,2.774024704,4.202646469,3.995026834,4.450333051,4.090580979,4.342154997,4.014936889,4.323669752
7716,C28 H53 N O8 P,"PC(18:2(9Z,12Z)/2:0)[U] Esi+12.554994",562.351,12.554994,1.722964083,1.793933032,1.318472318,1.617726609,1.52627365,1.630326626,1.586562239,1.578761408,1.778590453,1.340368864,1.613589399,1.515593373,1.681406929,1.512582059
7717,C21 H28 O8,3-O-Methylniveusin A Esi+9.100981,408.1759,9.100981,0.756682932,0.74889826,0.676760975,0.746428493,0.615997469,1.045463628,0.416163833,0.684021845,0.679803825,0.689053869,0.711645214,0.610059999,0.910866046,0.537767031
7718,C35 H67 N4 O7 S2,C35 H67 N4 O7 S2,719.4466,13.059013,0.967351213,0.89574975,1.037354864,1.028399883,0.859625826,1.026882182,0.951436421,0.833299178,0.740397429,0.944129335,0.905032867,0.71620879,0.878913416,0.803889998
7719,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione Esi+4.8309994",140.0835,4.8309994,0.191043574,0.141919787,0.301858491,0.011804321,0.33881525,0.370825436,0.104474655,0.238721739,0.132839117,0.365037849,0.214041869,0.244892978,0.419066661,0.122446723
7720,C13 H22 O6,C13 H22 O6 Esi+9.296011,274.1431,9.296011,0.932195654,1.101844131,0.642623765,1.014234083,0.824919223,1.182510678,0.767963202,-1.379782133,-1.697802866,-1.000388977,-1.574920281,-1.116695957,-1.586092945,-1.246765951
7721,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+14.313979 :1,848.5817,14.313979,1.174742501,1.18059162,0.978373806,1.333902064,0.869210453,1.266488663,1.023657345,-0.781188917,-0.924476669,-0.610249142,-0.799719132,-0.759539854,-0.815801334,-0.758873016
7722,C30 H49 N P S,C30 H49 N P S,486.3426,14.437989,0.847413549,0.890914893,0.58528241,0.742761187,0.732156364,0.805447056,0.667026466,-0.407249828,-0.492051836,-0.306082519,-0.380487324,-0.467290831,-0.413747082,-0.403060808
7723,C40 H N O10 P,C40 H N O10 P,685.9336,9.599995,0.518386264,0.660222795,0.272207126,0.394721001,0.533271177,0.604252048,0.415095894,0.211994844,0.330355113,0.07079312,0.195236681,0.201930889,0.321145926,0.141621121
7724,C13 H18 N2 O,4-methoxy DMT,218.1418,5.157998,0.173225772,0.156587541,0.197704919,0.236720316,0.208853985,0.333808076,0.074011439,-0.031902618,-0.059660221,0.001211717,-0.017327562,-0.061966238,-0.0656155,-0.01016668
7725,C49 H84 N O8 P,"PE(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+8.265013",867.5756,8.265013,0.491632952,0.395843716,0.636622762,0.61879144,0.289623985,0.460164526,0.453702004,-0.270168559,-0.178029883,-0.380088383,-0.315219243,-0.225312221,-0.195771527,-0.318135066
7726,C26 H45 N O7 S,Tauroursocholic acid,532.3207,8.952019,0.091008466,0.011540114,0.141695034,0.054240171,0.192564629,0.179462292,0.035415106,0.286136847,0.164672192,0.43104205,0.186114024,0.406651307,0.304677154,0.274183229
7727,C21 H30 O7,Secoeremopetasitolide B,394.1959,6.751988,0.328890578,0.116763695,0.591410869,0.138841439,0.86576785,0.055593226,0.567519576,-0.263827082,-0.126566202,-0.427576903,-0.024770005,-0.602360998,-0.053905571,-0.399171214
7728,C21 H30 O8,Scorzoside,410.2001,9.525985,0.394523644,0.360852154,0.413852548,0.304892605,0.484408555,0.151924278,0.48377081,-0.34268044,-0.370967755,-0.308934169,-0.172407213,-0.58271073,-0.106564151,-0.49491331
7729,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+8.719978 :4",427.3098,8.719978,0.704887065,0.651820055,0.597416551,0.656101308,0.66659467,0.612810681,0.676610879,-0.503410554,-0.494976776,-0.513471902,-0.477324951,-0.566247771,-0.458586231,-0.532310446
7730,C33 H52 N7,C33 H52 N7,546.4512,15.968995,0.230190226,0.26161072,0.213940063,0.356124735,0.175419683,0.395608574,0.129896482,-0.136117906,-0.188400425,-0.073745778,-0.149361076,-0.128406648,-0.255986883,-0.05883396
7731,C17 H36 O6,C17 H36 O6 Esi+9.433004,336.2505,9.433004,0.780416355,0.684567942,0.82911081,0.655347947,0.909291688,0.743476891,0.79052957,-0.706234348,-0.585806187,-0.849903033,-0.607760091,-0.873085965,-0.659386289,-0.736439018
7732,C30 H44,"4,4'-Diapo-zeta-carotene Esi+15.364013",421.3763,15.364013,1.079359944,1.153174938,0.764030559,1.212497498,0.77515324,1.070541594,0.967164676,-0.809580578,-0.907699898,-0.69252595,-0.942082633,-0.633367329,-0.78093423,-0.828049934
7733,C25 H52 N O6 P,PE(P-20:0/0:0) Esi+7.4360094,515.3293,7.4360094,0.96476377,0.784061336,1.267018107,1.060652544,0.887894563,0.817718248,0.997101113,-0.584802158,-0.382999688,-0.825548964,-0.564239914,-0.635073558,-0.384336933,-0.714049473
7734,C35 H56 N O2 S2,C35 H56 N O2 S2,586.3925,13.995036,0.580012912,0.248372136,1.103968322,0.739926503,0.348231051,0.566600097,0.615841059,0.457163151,0.180892575,0.786749102,0.55306335,0.295185193,0.435713374,0.470992613
7735,C29 H48 O5,"(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one Esi+14.594975",476.3514,14.594975,0.677918246,0.605776972,0.52567706,0.637890556,0.556507821,0.494180887,0.628688376,-0.362093769,-0.386373117,-0.333128933,-0.326852702,-0.426694939,-0.269614874,-0.42171832
7736,C44 H71 N5 O10 S3,Hoiamide A,925.4414,5.7600074,1.268066524,1.430556887,1.227392037,1.298142735,1.290299155,1.394769914,1.254594629,1.440325036,1.579315466,1.274511892,1.422873351,1.45230475,1.466674153,1.42333679
7737,C37 H66 O7 S,"2-(9R-(5Z,9Z-tetracosadienoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+11.211005 :1",653.445,11.211005,0.009426681,0.129347554,0.219213496,0.082472491,0.106972874,0.107146528,0.004806257,0.012076169,-0.031288302,0.063809222,0.017771652,-0.021673008,0.086886671,-0.036156918
7738,C9 H Cl3 N4 O7 P S5,C9 H Cl3 N4 O7 P S5,572.7245,12.155024,0.567897139,0.373668139,0.803744391,0.496479945,0.638644755,0.529162327,0.607593389,0.300512379,0.24331876,0.368743362,0.288971194,0.299963277,0.309082328,0.294987017
7739,C29 H9 N6 O16 P,C29 H9 N6 O16 P Esi+12.917983,727.9806,12.917983,1.426082345,1.380935892,1.605927149,1.401877479,1.511092956,1.443199414,1.529055415,0.730643416,0.741521504,0.717666047,0.742948143,0.696345717,0.767952395,0.706588942
7740,C10 H22 N7 O5 P S5,C10 H22 N7 O5 P S5,511.003,11.943031,1.832519432,1.813904145,1.916677963,1.879290987,1.751068598,1.842067851,1.902085918,1.032304911,1.09400307,0.95870009,1.080676097,0.940257536,1.074053333,1.005388166
7741,C19 O14 P S2,C19 O14 P S2 Esi+9.188987,546.8468,9.188987,0.03158828,0.099669527,0.00663606,0.164158745,0.322620923,0.154279527,0.093183778,-0.039221884,0.004114801,-0.09092179,-0.196640214,0.181229679,-0.160300966,0.03884226
7742,C21 H39 O6 P,CPA(18:1(9Z)) Esi+7.0140104,418.2526,7.0140104,0.171826854,0.486863749,0.24507952,0.209618503,0.029751806,0.423970661,0.015711822,0.042465121,0.215364998,-0.1638014,0.082764927,-0.036123791,0.203918575,-0.061629869
7743,C16 H32 N6 O5,Lys Lys Asn Esi+8.702995,388.2426,8.702995,0.171372753,0.149556779,0.218576111,0.227378595,0.156428204,0.10190072,0.216948439,-0.103054905,-0.048048246,-0.168676884,-0.087905492,-0.150306649,-0.019037873,-0.157223781
7744,<none>,<none> Esi+13.610035 :2,576.7364,13.610035,0.357131775,0.212394194,0.707975098,0.350725752,0.486915695,0.497370427,0.355447838,0.187140283,0.148593276,0.233126187,0.196532291,0.160417078,0.239537724,0.153357723
7745,C9 H20 N2 O2,Propamocarb,205.1826,8.291993,1.027452079,1.101595615,0.784058216,0.934334727,1.020300127,1.113978171,0.937611709,-0.840272412,-0.997851442,-0.652283395,-0.860239414,-0.814291966,-0.935440951,-0.778913749
7746,C47 H76 O11,"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol Esi+12.656986",816.5369,12.656986,1.28748676,1.209293097,1.474972106,1.30362317,1.310047914,1.327657564,1.343947538,0.649033827,0.64576112,0.652938109,0.660341077,0.613037758,0.695343834,0.619176059
7747,C44 H81 N O9 P,"PC(16:0/20:4(6E,8Z,11Z,14Z)(5OH[S])) Esi+14.164009",797.5582,14.164009,0.487014214,0.626027872,0.153590306,0.605113767,0.173352826,0.446949514,0.355127433,-0.231618622,-0.327431413,-0.117315643,-0.278239694,-0.179713042,-0.257854303,-0.214703512
7748,C17 H33 N5 O4,Pro Lys Lys,371.2513,5.7220044,1.395702302,1.489647754,1.491866629,1.376537929,1.717659275,1.389479598,1.545699043,-0.578079717,-0.585227823,-0.569552151,-0.470343853,-0.716355091,-0.417892185,-0.68135852
7749,C9 H18 O4,C9 H18 O4 Esi+5.0059915,190.121,5.0059915,1.354993108,1.531600618,1.309109338,1.51307707,1.408103341,1.506072332,1.382408838,-0.531807637,-0.613080608,-0.434850409,-0.476255772,-0.605984948,-0.482085024,-0.563865639
7750,C22 H33 N O4 P S,C22 H33 N O4 P S,438.1866,8.743009,0.753462344,0.719638654,0.634040653,0.98083963,0.351373151,0.954033175,0.484233213,0.805617927,0.893592323,0.700666016,1.038952779,0.449092445,1.119470677,0.603265496
7751,<none>,<none> Esi+10.968995,512.8163,10.968995,0.456100213,0.778153379,0.223882662,0.483399624,0.274235188,0.544068999,0.309095335,-0.16750663,-0.353176991,0.053994852,-0.185507895,-0.137056632,-0.246849361,-0.116351449
7752,C41 H57 Cl N9,C41 H57 Cl N9,710.4418,8.552984,0.491363903,0.729383621,0.112941405,0.469709251,0.326554885,0.720331597,0.29501073,0.219754757,0.368141763,0.042731662,0.259362813,0.139446051,0.384618576,0.113460979
7753,C10 H2 Cl3 N2 O14 P S4,C10 H2 Cl3 N2 O14 P S4,637.7176,6.4870186,0.281426921,0.218420388,0.370620354,0.294835131,0.25981383,0.334904557,0.29799642,-0.141299542,-0.141327715,-0.141265932,-0.184243366,-0.080699204,-0.184194091,-0.113643846
7754,C40 H77 O8 P,PA(22:1(11Z)/15:0),716.5387,14.782972,1.539747291,1.615449315,1.396860329,1.505034815,1.633044879,1.392639763,1.636260999,-1.256696699,-1.394183591,-1.092677248,-1.08226016,-1.520947269,-1.198412458,-1.294274695
7755,C12 H20 O5,"Polyethylene, oxidized Esi+4.56401",244.1291,4.56401,0.059307595,0.163463039,0.09509193,0.413845923,0.398232307,0.078313524,0.007108693,-0.166729638,-0.242631953,-0.076179508,-0.39630844,0.169749322,-0.125218531,-0.193493378
7756,C28 H46 O5,Polyporusterone F Esi+14.443047,462.3322,14.443047,0.896716664,0.954234973,0.563805054,0.813247881,0.836693148,0.712471695,0.829988812,-0.526230776,-0.657006375,-0.370217781,-0.45625709,-0.644997437,-0.450066276,-0.575336835
7757,C27 H41 N18 O P,C27 H41 N18 O P,664.345,14.038026,0.87589434,0.520156937,1.172516453,0.824082716,0.803356094,0.652173893,0.919102928,0.602365167,0.397888393,0.846302372,0.588286718,0.642345094,0.473882803,0.685202481
7758,C26 H53 N8 O2,C26 H53 N8 O2 Esi+15.353024,509.4278,15.353024,0.10562312,0.071862598,0.271203302,0.02187026,0.250125436,0.111375262,0.21843295,0.115260838,0.080908092,0.156243062,-0.010261879,0.236843023,0.038218359,0.164932963
7759,C9 H21 N O3 P,C9 H21 N O3 P Esi+6.587007 :1,222.1255,6.587007,0.475842321,0.519528532,0.276041729,0.49298993,0.379248606,0.430206203,0.427807382,-0.179922837,-0.261217565,-0.082939653,-0.207474811,-0.164748801,-0.157301873,-0.194507406
7760,C41 H44 N O2,C41 H44 N O2,582.3596,11.319989,0.327419318,0.14855093,0.560756873,0.253486891,0.437140821,0.002790826,0.422210858,-0.193632669,-0.077759786,-0.331866986,-0.028733031,-0.444575119,0.080493533,-0.370371931
7761,C38 H50 N6 O6,Hydroxysaquinavir M7,708.3697,12.626986,2.144371133,2.123253408,2.347465608,2.28785557,2.218397874,2.150339732,2.237769894,2.264085478,2.009488212,2.56781555,2.225069556,2.295807904,2.038783931,2.409345686
7762,C22 H45 N4 O22,C22 H45 N4 O22,717.252,6.298997,1.899667479,1.812577201,1.834551533,1.782116831,1.958119749,1.761846014,1.908887282,1.432889493,1.55366823,1.288802578,1.34841051,1.53579006,1.478493018,1.40348722
7763,C24 H5 N4 O20,C24 H5 N4 O20 Esi+13.512958,668.949,13.512958,1.487360233,1.4826113,1.67099578,1.484712695,1.617615701,1.53987595,1.601255078,0.767130903,0.784705038,0.746165269,0.769700143,0.748255395,0.787768145,0.753825313
7764,C36 H65 O8 P,"PA(20:3(8Z,11Z,14Z)/13:0) Esi+9.511998",678.4162,9.511998,1.633582604,1.585830147,1.624655618,1.670450716,1.487082985,1.731904712,1.548419261,1.724567394,1.741427182,1.704453963,1.77799634,1.606154601,1.916630916,1.600736965
7765,C16 H24 O4,"Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate Esi+9.483005",280.1646,9.483005,0.689952314,0.51835779,0.951770303,0.457124979,1.149472727,0.514750178,0.802471951,0.581713772,0.365149981,0.840070576,0.283752145,0.995118162,0.441760294,0.671946935
7766,C20 H26 O8,Gibberellin A43,394.1608,8.265013,0.193698656,0.432838534,0.13133272,0.290587289,0.09367247,0.236183116,0.173058788,-0.117735784,-0.350422542,0.159855436,-0.171204835,-0.037073198,-0.216364894,-0.054145963
7767,C16 H24 N6 O7,Gln Glu His Esi+7.8239837,412.1705,7.8239837,1.048130446,1.025054051,0.959670209,1.16800699,0.759953681,1.153659873,0.87688282,1.103822724,1.105760182,1.10151137,1.226255265,0.906809965,1.264492993,1.000232682
7768,C52 H104 N O13 P,PI-Cer(t20:0/26:0(2OH)),980.7236,14.952953,0.623463594,0.735884508,0.357344175,0.677573906,0.425099902,0.502244791,0.622489456,-0.380151602,-0.625922991,-0.086950648,-0.482901626,-0.264114692,-0.355051962,-0.396334266
7769,C24 H41 O7 P,"PA(21:4(6Z,9Z,12Z,15Z)/0:0)",472.2576,11.295983,0.231301692,0.375281462,0.112312022,0.023573503,0.241327094,0.393261802,0.019285701,-0.104313412,-0.158671398,-0.039465288,-0.086820477,-0.135553356,-0.24721139,-0.012181821
7770,<none>,<none> Esi+9.618995 :1,487.8156,9.618995,0.563954871,0.759796472,0.220362078,0.504283481,0.506382847,0.749835639,0.430149552,0.248457195,0.382635755,0.088384526,0.258906418,0.20789541,0.38796798,0.158509451
7771,C33 H43 N5 O6,Amphibine H,605.3254,5.7320004,2.000879766,1.921130629,2.00241241,2.00760462,2.040681563,2.064611582,1.925987482,1.838028744,1.832320929,1.844838067,1.714366247,2.0141794,1.870206245,1.817282723
7772,C13 H18 O2,Etrogol,206.1301,9.545016,1.497624844,1.489029523,1.464307444,1.456451733,1.545580988,1.347129719,1.60163912,1.255528415,1.334551182,1.16125564,1.244927775,1.263250262,1.272566482,1.244543346
7773,C15 H23 N3 O6,Glu Pro Pro Esi+8.735987,340.1501,8.735987,0.283614232,0.036130587,0.681590638,0.180692998,0.431904705,0.010647944,0.43508164,0.085219511,-0.029485479,0.222060551,0.001207042,0.201292495,-0.024348216,0.155861861
7774,C22 H41 N O4,AX 048 Esi+8.624017,405.2825,8.624017,1.051936289,1.142961814,0.995146652,1.200335241,0.818362778,1.322505913,0.878993459,-0.689706222,-0.666510879,-0.717377859,-0.80076012,-0.538603002,-0.723989605,-0.667602462
7775,C27 H55 N2 O S3,C27 H55 N2 O S3 Esi+10.980979,519.3443,10.980979,1.262073947,1.522626403,0.926568041,1.287150212,1.036487548,1.422160397,1.161830302,0.977400395,1.223461746,0.683853521,1.070325582,0.813227556,1.168784796,0.854007821
7776,C11 H14 N10,C11 H14 N10,286.1394,7.137978,0.456309356,0.477733858,0.27967802,0.534147893,0.191574998,0.65481412,0.233093668,0.191292927,0.251912202,0.118975197,0.274749451,0.060022722,0.35680631,0.084580352
7777,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.9200087,284.129,5.9200087,1.851133729,1.856842747,1.793269662,1.671283129,2.088589753,1.639162189,2.000768259,1.80449257,1.732502234,1.890375777,1.608841424,2.048322028,1.693348707,1.876151113
7778,C17 H20 O6,Conchosin B Esi+8.433987,342.1099,8.433987,0.50584388,0.659469718,0.269601588,0.603603969,0.250629204,0.997817201,0.148166911,-0.422174202,-0.515751875,-0.31053768,-0.572831614,-0.179736771,-0.73924683,-0.217745797
7779,C27 H45 N O4,N-stearoyl tyrosine Esi+12.050029,447.3338,12.050029,1.022332225,1.151615578,0.647355144,0.796374715,1.125188872,0.989393293,0.831591287,-0.884292952,-1.120303132,-0.602736947,-0.762741391,-1.050140324,-1.002956413,-0.807786246
7780,<none>,<none> Esi+8.642979 :1,429.7736,8.642979,0.02893236,0.131190892,0.293993955,0.138053499,0.149349389,0.031655974,0.020691804,-0.079333783,0.04245321,-0.224623529,-0.16127709,0.021973625,-0.046037851,-0.100800897
7781,C31 H33 O19,"Cyanidin 3,5-diglucoside (6'',6'''-malyl diester)",708.1546,14.006023,0.801241136,0.760120192,0.787490255,0.841856757,0.654640949,0.613346125,0.853347844,-0.871544273,-0.858948506,-0.886570803,-0.923892718,-0.837748811,-0.726539875,-0.965033951
7782,C29 H45 N18 O P,C29 H45 N18 O P Esi+14.415024,692.3756,14.415024,0.147009852,0.179113313,0.581235595,0.137289106,0.07882867,0.123371186,0.176593285,0.149556862,-0.033683467,0.368159361,0.244441938,0.019594321,0.145719934,0.152030672
7783,C28 H34 N5 O24 P S,C28 H34 N5 O24 P S Esi+12.843995,887.1034,12.843995,0.099889978,0.144158029,0.110384959,0.103428553,0.078871137,0.014272557,0.08724448,0.033822877,-0.010835483,0.087099517,0.041214645,0.004690792,0.079022205,0.004681205
7784,C30 H30 O19,Apigenin 7-glucuronide-4'-(6''-malonylglucoside) Esi+12.633036,694.1382,12.633036,0.735484968,0.727797507,0.613509593,0.879714339,0.515883368,0.547974234,0.776369305,-0.207529612,-0.20441157,-0.211249382,-0.210905892,-0.217162919,-0.123556126,-0.261670413
7785,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+8.894019,418.1634,8.894019,0.246576534,0.252510417,0.134075351,0.25231101,0.141243968,0.022801538,0.280342683,-0.097984203,-0.166927513,-0.015736044,-0.134248337,-0.066304884,-0.078960921,-0.110249214
7786,C27 H50 O4,C27 H50 O4 Esi+14.722969,438.37,14.722969,1.044542358,1.080000581,0.984152907,1.0605137,1.050309229,1.008131531,1.03352516,-0.717128235,-0.761286986,-0.66444762,-0.693528376,-0.754384823,-0.704345327,-0.725369847
7787,C46 H74 O14,Hebevinoside V Esi+14.205016,850.5046,14.205016,0.634584216,0.540139449,0.626083819,0.597799943,0.560689893,0.596332429,0.638800582,0.335626056,0.322979811,0.350712804,0.350825405,0.309841684,0.361006076,0.319262622
7788,C22 H45 N O,Docosanamide Esi+11.229003,339.3496,11.229003,0.138272532,0.346284228,0.157176879,0.107499466,0.147377774,0.071295306,0.178791863,-0.018305515,-0.093122757,0.070950143,0.019354486,-0.076117042,0.059461895,-0.068445028
7789,C12 H14 O4,"2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one Esi+5.6550174",222.0868,5.6550174,0.428783117,0.415577869,0.328390533,0.240872624,0.50620939,0.54923326,0.307227413,0.36753229,0.41399567,0.312102292,0.362147623,0.368674669,0.55389125,0.247379803
7790,C22 H27 F3 O4 S,Fluticasone Esi+9.878007,466.1394,9.878007,0.434644952,0.419526201,0.275185955,0.253554899,0.527017606,0.41008515,0.388110476,-0.150795995,-0.136298348,-0.168091433,-0.121361442,-0.212095061,-0.16837072,-0.139464922
7791,C18 H38 N12 O4,Arg Arg Arg Esi+13.720965,486.32,13.720965,1.013837851,0.734005122,1.280805749,0.672438344,1.365057248,0.820693308,1.068487075,1.866447021,1.693113553,2.073230807,1.420312496,2.45850486,1.750143696,1.941432059
7792,C40 H70 N30 O,C40 H70 N30 O,986.6352,11.5890255,0.879431524,0.775576108,0.953197502,0.925752193,0.705242993,0.974977728,0.775369728,0.541711466,0.543584192,0.539477336,0.615064311,0.405229566,0.673506577,0.456738302
7793,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside Esi+8.885988 :2,603.4151,8.885988,0.598708236,0.501509459,0.745862873,0.770731111,0.363557838,0.66864447,0.487606415,-0.325627393,-0.244765032,-0.42209477,-0.368713066,-0.29260389,-0.291694351,-0.347505275
7794,C27 H44 N6 O9,C27 H44 N6 O9 Esi+12.075995,596.3184,12.075995,0.905379387,0.730426788,1.273446458,0.874879332,1.019708075,1.042293571,0.913203833,1.212576219,0.984915439,1.484171535,1.199960726,1.24052741,1.231438666,1.200414904
7795,C19 H38 O2,3-Methyl-3-butenyl tetradecanoate Esi+10.791993,315.3133,10.791993,0.357737227,0.435434477,0.070985815,0.421780495,0.13617126,0.362412688,0.280791551,-0.210033397,-0.292154978,-0.112063792,-0.277120402,-0.11630746,-0.232761729,-0.195379604
7796,C28 H59 Cl2 N9 O P,C28 H59 Cl2 N9 O P,638.3992,13.747015,0.983259334,1.136278991,0.625387736,1.091484362,0.757999964,0.872371425,0.937589753,-1.022736979,-1.277350095,-0.718987999,-1.095921297,-0.915760966,-1.026368781,-1.020395422
7797,C28 H49 N O3 P S,C28 H49 N O3 P S Esi+12.670017,510.3193,12.670017,2.510661767,2.414584544,2.668959427,2.541434296,2.610828673,2.426882489,2.619416266,3.707137191,3.546550843,3.898713887,3.584823072,3.850718961,3.504645046,3.837691337
7798,C15 H33 N,n-Pentadecylamine Esi+10.086016,227.2609,10.086016,0.644603999,0.852393585,0.327971124,0.695802499,0.633067579,0.719984978,0.573968962,-0.229213754,-0.296181481,-0.149322432,-0.182310217,-0.277507246,-0.254887307,-0.212661069
7799,C15 H26 N6 O6,Arg Asp Pro Esi+6.7960134,386.1918,6.7960134,0.992336294,0.86648572,1.055326443,0.928206488,1.034140762,0.838586048,1.001786479,-0.350377958,-0.242267923,-0.479351332,-0.262040937,-0.486538868,-0.231107496,-0.427276018
7800,C28 H44 O3 S,"(6S)-vitamin D2 6,19-sulfur dioxide adduct / (6S)-ergocalciferol 6,19-sulfur dioxide adduct Esi+9.125",459.296,9.125,0.176227237,0.241017329,0.062842822,0.060227453,0.478807752,0.007108313,0.288470341,-0.043953508,0.100490397,-0.216272552,-0.243915831,0.205009247,-0.146241536,0.021995353
7801,C17 H34 N O4,O-decanoyl-R-carnitine Esi+8.623015,315.2407,8.623015,0.434899515,0.40537749,0.35411559,0.120196136,0.779377416,0.309279806,0.502586874,0.293070339,0.362165372,0.210641177,0.135326681,0.517928305,0.255234801,0.317464304
7802,C27 H50 O6,TG(8:0/8:0/8:0) Esi+15.708007,470.3596,15.708007,0.460122907,0.620039203,0.255842911,0.697582864,0.329466303,0.412787936,0.498193783,-0.29657826,-0.417811433,-0.151949211,-0.367770056,-0.230058947,-0.251789306,-0.325455349
7803,C47 H76 O11,"1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-O-alpha-D-glucuronyl-sn-glycerol Esi+12.660968",816.5367,12.660968,1.191314096,1.066669618,1.448596236,1.291456377,1.10725307,1.280181387,1.215849502,0.557321812,0.540270566,0.57766365,0.59046547,0.491727824,0.60865411,0.524225989
7804,C23 H36 N6 O4,Lys Lys Trp Esi+5.6490064,459.2671,5.6490064,0.272704041,0.16360679,0.263354316,0.29583746,0.126752947,0.371249694,0.04411866,0.236373723,0.172721211,0.312310054,0.198876763,0.286544745,0.342077712,0.168222467
7805,C16 H24 O8,Dihydroconiferin Esi+5.8480134,344.1438,5.8480134,0.60077748,0.669365629,0.417973267,0.412280664,0.705979877,0.463348442,0.545945001,-0.43194848,-0.519457744,-0.327551463,-0.296559749,-0.598996361,-0.373569176,-0.469587768
7806,C29 H46 O5,"(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one",474.3357,14.406987,0.273277425,0.417104356,0.03731905,0.266856629,0.200804281,0.097548314,0.268299607,-0.108535229,-0.271299545,0.085639744,-0.128758021,-0.08528389,0.002560519,-0.180162751
7807,C14 H25 N O2,C14 H25 N O2,239.1875,9.887969,0.436488542,0.56940477,0.220113678,0.393850276,0.456068103,0.319552581,0.471339384,-0.326538386,-0.438466882,-0.193009654,-0.332811311,-0.362495548,-0.267174393,-0.36481254
7808,<none>,<none> Esi+12.94098,544.8117,12.94098,1.108313086,0.836321749,1.488472104,1.171545182,1.121404347,0.867057408,1.237230138,0.509823643,0.392006258,0.650377716,0.517084782,0.517198604,0.401636791,0.579575692
7809,C43 H84 N18 O P S3,C43 H84 N18 O P S3,995.5962,13.863024,0.301965717,0.634359311,0.495309702,0.147219131,0.29106402,0.343053719,0.168551062,-0.071667022,-0.256732122,0.149112397,-0.023005394,-0.135820374,-0.119362141,-0.040916221
7810,C13 H16 N7 O,C13 H16 N7 O,286.1413,5.734989,0.34821945,0.098564962,0.663937478,0.286760844,0.42358415,0.081873979,0.562628541,-0.196285651,-0.001072518,-0.429171493,-0.128647934,-0.284890098,-0.035045032,-0.300243418
7811,C12 H17 N3 O4,Agaritine,266.1126,10.027003,0.456566339,0.059085079,1.101413698,0.077265025,1.072599857,0.076482225,0.878406444,0.318780335,0.043014317,0.647764356,0.121770634,0.632951373,0.04445227,0.495649745
7812,C10 H28 Cl N10 O,C10 H28 Cl N10 O,339.217,13.76801,0.676834396,0.374593366,1.126567523,0.836815606,0.635597549,0.793394022,0.650758357,-0.530514013,-0.304250539,-0.800442369,-0.587075882,-0.461530718,-0.616744788,-0.474917856
7813,C33 H57 N2 P S,C33 H57 N2 P S,544.3851,14.832017,0.668592445,0.743388587,0.375521147,0.456440404,0.706698961,0.485064532,0.645265964,-0.867368176,-1.014777104,-0.691511911,-0.668406008,-1.114468256,-0.786164781,-0.919722996
7814,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+8.256985",365.135,8.256985,0.861929227,0.736289335,0.944782495,0.907247733,0.742034674,0.672225196,0.871975261,-0.944322531,-0.787121039,-1.131861154,-0.892306795,-1.025796034,-0.684938623,-1.111556894
7815,C19 H24 Cl N19 O2 P S2,C19 H24 Cl N19 O2 P S2,680.1232,11.507003,0.834821849,0.723009357,0.788067485,0.940984024,0.524663538,0.634822412,0.823273637,-0.396041761,-0.359228438,-0.439959411,-0.422909591,-0.383579706,-0.283464021,-0.468624778
7816,C51 H91 O12 P,"PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) Esi+14.345965",943.6503,14.345965,0.883096922,1.030072747,0.46271517,0.974743097,0.527412162,0.949216043,0.740416414,-0.899547071,-1.187093271,-0.5565095,-0.99450714,-0.763412826,-1.024440326,-0.819023789
7817,C33 H46 N4 O6,L-Urobilin Esi+13.68196,594.3379,13.68196,0.298253493,0.405414115,0.073137454,0.156320846,0.393045036,0.047672595,0.402593297,-0.194476525,-0.366237166,0.010430907,-0.006567303,-0.479191695,-0.002288642,-0.318387133
7818,C14 H18 N2 O4,L-phenylalanyl-L-hydroxyproline,300.1054,7.4859896,0.633502511,0.54639687,0.703299555,0.371963936,0.963925039,0.359004193,0.824541352,0.9061621,0.799063626,1.033928701,0.657931388,1.258047754,0.547313152,1.137525238
7819,C15 H14 N4 O2 S,Sulfaphenazole,336.0673,11.798005,2.218103102,2.30277569,2.134797705,2.169873291,2.371776706,2.257094545,2.241694978,-2.501004072,-2.538461664,-2.456317823,-2.383245984,-2.669640159,-2.621380577,-2.423392905
7820,C17 H32 N7 O,C17 H32 N7 O,350.2715,11.041993,0.03846348,0.15608074,0.27985045,0.024594712,0.012713043,0.122312007,0.12442232,0.029385356,-0.055442168,0.130583104,0.056070844,-0.018530859,-0.009495871,0.054453515
7821,C33 H44 O,Citranaxanthin Esi+15.48503,456.3447,15.48503,0.89593199,0.826132924,0.89710379,1.005932304,0.736451577,0.800664668,0.873134621,-0.539943624,-0.564719145,-0.510386863,-0.54624082,-0.55907156,-0.491870662,-0.570938034
7822,C27 H55 N9 O3 S,C27 H55 N9 O3 S,585.4101,9.541014,0.526716505,0.333998087,0.699608301,0.342540882,0.608960114,0.592992243,0.459075413,0.253885695,0.210598136,0.305526993,0.217284562,0.278599423,0.326856349,0.206838825
7823,C37 H52 O7,Avenestergenin A2 Esi+10.06299,607.3676,10.06299,0.947509414,0.942504966,0.717966598,0.762915062,0.903348974,0.786766793,0.867718049,0.889367206,0.94454666,0.823539085,0.868957686,0.915581421,0.910220684,0.875922201
7824,C11 H17 N O,methoxyphenamine,179.1289,0.87100136,0.022939255,0.344491107,0.618837474,0.261621463,0.608825465,0.617264807,0.482268412,0.045721466,-0.12236371,0.246244133,-0.084488907,0.22155887,-0.221875214,0.218250905
7825,C33 H60 O10,Nonoxynol-9 Esi+13.790024,633.4451,13.790024,0.123728256,0.20005902,0.005376446,0.398703516,0.194941489,0.252884827,0.060901471,0.063435738,-0.057847547,0.208124569,-0.054616483,0.239032192,-0.114597354,0.178220231
7826,C49 H91 O13 P,"PI(20:0/20:2(11Z,14Z))",918.6291,8.176017,0.219123663,0.14432112,0.549066417,0.418234331,0.16029647,0.115691344,0.334260462,-0.015550882,0.037772859,-0.07916517,-0.07147862,0.054594807,0.028552934,-0.043986237
7827,C20 H33 F O3,"(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol",357.2699,11.774988,0.574886178,0.609698993,0.564895496,0.565564314,0.550473401,0.59339058,0.603534956,0.366277729,0.36804972,0.364163775,0.388051439,0.323054564,0.398127295,0.345743141
7828,C26 H48 O S2,C26 H48 O S2 Esi+14.987043,440.3143,14.987043,0.655262664,0.661549632,0.538441219,0.436410783,0.83765664,0.442803453,0.699409007,-0.320892209,-0.32184893,-0.319750857,-0.156172816,-0.543650122,-0.18604025,-0.407836234
7829,C30 H51 N21 O2 P,C30 H51 N21 O2 P,768.4269,13.235027,1.827950175,1.60816256,1.975917064,1.738583928,1.920319704,1.698414677,1.906461733,2.313337701,2.040329113,2.639032158,2.215425813,2.429005499,2.106972249,2.446389111
7830,C17 H35 N8,C17 H35 N8,351.2983,12.867983,0.157478152,0.26830392,0.058854861,0.249446237,0.029750758,0.278114318,0.005446344,-0.065163316,-0.276020227,0.186385279,-0.104511439,0.032867731,-0.266050273,0.064355906
7831,C8 H13 N2 O5 P,Pyridoxamine-5'-Phosphate Esi+3.7890012,248.0531,3.7890012,0.169433401,0.020974949,0.216032813,0.169134288,0.093213575,0.121632109,0.141959193,-0.072587645,-0.015505161,-0.140686047,-0.060259786,-0.078747268,-0.022878076,-0.104637236
7832,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+8.678979,170.0929,8.678979,1.20375631,1.007697076,1.350506702,1.191580468,1.039356464,1.361545066,1.012599265,1.060071224,0.93663076,1.207333531,1.069496464,0.996369793,1.205918429,0.966038158
7833,C22 H34 Cl3 N10 O4 P S,C22 H34 Cl3 N10 O4 P S,670.1294,13.539004,0.262543602,0.225027398,0.216613734,0.36439747,0.030555696,0.210973666,0.224438134,-0.045985253,-0.045652826,-0.046381833,-0.069448039,-0.030476874,-0.018108975,-0.063958116
7834,C24 H5 N2 O19 P,C24 H5 N2 O19 P Esi+10.419998 :1,655.9222,10.419998,0.628087051,0.773677302,0.398999802,0.533855287,0.596307822,0.791026399,0.507532866,0.325272926,0.435833497,0.193376104,0.34658357,0.271064952,0.472062141,0.230632511
7835,C32 H48 O5,Ganoderic acid X Esi+15.118962,512.3456,15.118962,0.789635606,0.850164042,0.547437522,0.69779623,0.741628715,0.591584464,0.775925935,-0.556590495,-0.643369047,-0.453065205,-0.380699328,-0.824419001,-0.337937893,-0.697563883
7836,C12 H32 N12 O3 S,C12 H32 N12 O3 S,424.2778,10.9650135,0.019240925,0.14518477,0.083834958,0.134753897,0.023224255,0.069819046,0.024446481,0.079715979,0.032648088,0.135867147,0.124827399,-0.004875971,0.196313642,0.00454117
7837,C44 H49 P,C44 H49 P,608.3539,13.958987,0.560224936,0.575685761,0.312984515,0.463996171,0.574703405,0.332013854,0.614038187,-0.472276158,-0.552559181,-0.376499919,-0.433754183,-0.545885059,-0.421951046,-0.504722611
7838,C36 H48 O8,24-Acetyl- 25-cinnamoylvulgaroside Esi+7.614012,608.3372,7.614012,0.268162117,0.10726187,0.660622083,0.097273676,0.473827729,0.083098575,0.444235431,-0.153746835,0.044642747,-0.390422126,-0.06130392,-0.302166515,0.045579057,-0.282259581
7839,C32 H52 N4 O4,Demecarium,555.3968,10.338999,0.777393494,0.659700218,0.840681624,0.598163872,0.855275688,0.849996876,0.684810536,0.490353479,0.467695925,0.517383543,0.426935531,0.548527501,0.590770591,0.425610867
7840,C23 H40 O3,4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one,364.298,14.44603,0.464103878,0.639097518,0.228297399,0.470547314,0.370055066,0.566862305,0.361148333,-0.348378576,-0.408021764,-0.277225299,-0.357167871,-0.334286099,-0.406279198,-0.311047912
7841,C34 H54 O11,"26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi+10.990984",655.3938,10.990984,0.170066795,0.216480654,0.987594982,0.11221492,0.403141655,0.123749472,0.294347804,0.119034378,-0.05197844,0.323049671,0.095663733,0.149557691,0.068846179,0.15139256
7842,C24 H52 Cl N6 P,C24 H52 Cl N6 P,490.3628,14.952948,1.571881479,1.775102348,1.334911232,1.677709936,1.4761137,1.623063185,1.554360556,-1.194750846,-1.49255924,-0.839470657,-1.165665435,-1.25429601,-1.144841745,-1.226929082
7843,C12 H22 N6 O6,Gly Asp Arg Esi+5.2800174 :1,346.1595,5.2800174,0.993926272,0.713513789,1.37816489,0.983899477,1.231951208,0.898642289,1.144972426,-0.745807122,-0.519266475,-1.016066138,-0.620959017,-0.940938214,-0.585772455,-0.848987367
7844,C30 H24 O16,Quercetin 3-(2''-caffeylglucuronide) Esi+13.678969,640.1098,13.678969,0.403412297,0.392962645,0.253335165,0.401409589,0.172405798,0.388912382,0.311588786,-0.334701387,-0.385537094,-0.27405528,-0.36464252,-0.329204246,-0.46078431,-0.253411081
7845,C31 H59 N8 O P,C31 H59 N8 O P Esi+15.22602,590.4528,15.22602,0.319625631,0.294748494,0.207848289,0.036614316,0.534175976,0.259307626,0.236518637,-0.257644429,-0.333862673,-0.166717401,-0.127552911,-0.444905613,-0.338799032,-0.205321066
7846,<none>,<none> Esi+9.135008 :1,480.8075,9.135008,0.088066359,0.145941422,0.032562849,0.103208694,0.363544308,0.156836785,0.220731608,-0.134252656,-0.026076906,-0.263304428,-0.310558848,0.083343957,-0.242894824,-0.064207048
7847,C36 H68 O17,1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol,794.4243,13.853022,1.283355997,1.213971261,1.344966378,1.237423245,1.336980661,1.327777364,1.222644544,0.730993657,0.666706858,0.80768668,0.722274637,0.76728724,0.695538376,0.753852982
7848,C32 H60 O6,C32 H60 O6 Esi+15.583985,540.4393,15.583985,1.373626588,1.5066206,1.103935522,1.407396577,1.261322429,1.412475657,1.275621361,-1.319659651,-1.588939649,-0.998413337,-1.311037693,-1.352819916,-1.327415288,-1.314659306
7849,C18 H31 N O,Crucigasterin 277 Esi+10.197017,294.2668,10.197017,1.792542871,1.839737841,1.675038812,1.623862742,1.999604695,1.813994394,1.814408111,-0.81433306,-0.84210329,-0.781203662,-0.788611878,-0.844844666,-0.826160412,-0.806707531
7850,C35 H63 Cl N17 O4,C35 H63 Cl N17 O4,820.4944,14.343014,0.188871269,0.21931732,0.116507056,0.049743209,0.392229351,0.087705681,0.350926331,-0.039611199,-0.084784665,0.014279954,0.092327153,-0.248315991,0.108615596,-0.135178475
7851,C48 H91 O12 P,PI(P-20:0/19:1(9Z)) Esi+12.370037,912.5987,12.370037,0.928213851,0.859777803,1.069674862,0.905475137,0.878554157,1.03195553,0.906395995,0.588087586,0.59446648,0.580477677,0.624225332,0.505758091,0.713921783,0.506957643
7852,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+10.011997",328.2238,10.011997,2.318348058,2.295706453,2.510416403,2.370557149,2.516955107,2.253056806,2.482056953,2.251032961,2.133829456,2.390854686,2.199228603,2.329097133,2.134197997,2.326360766
7853,C18 H28 N6 O5 S,Cys Arg Tyr Esi+9.879011,440.186,9.879011,0.585791959,0.558538562,0.535360564,0.652433886,0.438734315,0.479282183,0.531908613,-0.561346385,-0.614449345,-0.497995485,-0.574922322,-0.538718794,-0.510532106,-0.594108223
7854,C29 H62 Cl N O3 P S,C29 H62 Cl N O3 P S,570.3843,13.165023,1.73616606,1.515361265,1.92966503,1.717206083,1.704535359,1.635377161,1.736958387,2.248068818,2.023032649,2.51653302,2.215827363,2.275014628,2.149227271,2.311795605
7855,C21 H31 F3 O,Arachidonyl Trifluoromethyl Ketone Esi+5.5019956,355.2207,5.5019956,0.249884204,0.374296089,0.006084891,0.160582929,0.261908982,0.057254681,0.341952889,-0.020723479,-0.061451202,0.02786398,0.005375619,-0.061468844,0.030813985,-0.053951581
7856,C22 H37 N O,"N,N-dimethyl arachidonoyl amine Esi+13.110031",348.3138,13.110031,1.894243438,1.966135158,1.768391819,1.782908907,2.065445043,2.082795717,1.863889807,-1.078377812,-1.221494113,-0.907642577,-1.079786007,-1.07007631,-1.166045949,-1.021854934
7857,C16 H24 O8,Dihydroconiferin Esi+6.246987,344.1439,6.246987,0.953372985,0.894834628,1.136126472,0.99597433,0.950204776,1.006460451,0.920993694,-0.585764573,-0.534776535,-0.646592407,-0.573312699,-0.59670007,-0.507222444,-0.636403576
7858,C34 H50 O6,"(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate Esi+15.179982",554.3551,15.179982,1.538065489,1.619343003,1.229905159,1.6082862,1.356897635,1.44799215,1.475605739,-1.047157726,-1.229327148,-0.829832802,-0.998606577,-1.111921125,-0.917585549,-1.130697682
7859,C37 H68 N O8 P,"PE(20:3(8Z,11Z,14Z)/12:0)",685.4747,14.220964,0.21787103,0.105904226,0.258862895,0.224805838,0.199271371,0.115519409,0.365664064,-0.130735253,-0.012310375,-0.272014054,-0.102405772,-0.21081447,0.210071294,-0.35046579
7860,C43 H68 O14,Calenduloside G methyl ester Esi+13.673014,808.4588,13.673014,1.776393211,1.664988843,1.914199273,1.721159634,1.921950012,1.687121603,1.893950918,1.167128805,1.062601923,1.29182754,1.128597937,1.221157203,1.039431908,1.249459698
7861,C12 H21 N O17 S2,"3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine Esi+12.368974 :2",514.0227,12.368974,0.095807464,0.00614952,0.34923714,0.03530557,0.282764493,0.124286971,0.198431452,0.086965107,0.05634807,0.123490695,0.100580437,0.052148698,0.114724908,0.06906734
7862,C29 H28 N4,Usambarensine,432.2329,6.1160026,0.189318467,0.095190006,0.428847508,0.193345916,0.093101365,0.235428976,0.111748434,-0.146614813,0.021940816,-0.347698722,-0.067242537,-0.286716441,-0.116091325,-0.166294431
7863,C34 H59 N P S,C34 H59 N P S,544.4154,15.075979,0.855796284,0.936661218,0.614160164,0.799147326,0.831119562,0.813076723,0.791489678,-0.414169203,-0.553426471,-0.248037726,-0.348680582,-0.482499724,-0.421433492,-0.409485649
7864,C39 H65 O8 P,"PA(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",692.4476,15.55804,0.728145556,0.791146562,0.548996993,0.838668921,0.470133871,0.642121449,0.643228043,-0.682207388,-0.900127808,-0.422232151,-0.732383038,-0.631536037,-0.671334915,-0.689217272
7865,C28 H56 N18 O P,C28 H56 N18 O P,691.4631,13.420969,1.249081296,1.350822751,1.134818065,1.148769592,1.339983107,1.364879512,1.207864891,0.788927539,0.85383886,0.711489471,0.785124344,0.785417388,0.859467468,0.743447847
7866,C17 H28 N13 O4,C17 H28 N13 O4,478.239,5.9329915,0.279591489,0.076406235,0.73157131,0.169303108,0.476244055,0.037664963,0.516351686,-0.184746679,0.03919151,-0.451901009,-0.08694774,-0.338166655,0.029381187,-0.322802803
7867,C28 H48 O7,26-Hydroxybrassinolide Esi+13.555984,496.3372,13.555984,0.066491119,0.147930071,0.108833612,0.008662721,0.100277504,0.014005497,0.050411734,-0.048715031,-0.083087099,-0.007709756,0.000890991,-0.134802813,-0.014258037,-0.070930724
7868,C26 H40 N5,Agelasine Esi+11.56299,399.3344,11.56299,0.697919726,0.773289022,0.43970361,0.74434851,0.494765676,0.663355667,0.629640491,-0.445778765,-0.573238205,-0.293721889,-0.472236823,-0.405560092,-0.457886041,-0.437972758
7869,C39 H75 O10 P,PG(16:0/17:1(9Z)) Esi+11.980974,733.4996,11.980974,0.031912552,0.035205745,0.230366959,0.028303995,0.151309885,0.140523758,0.055203086,0.075635938,0.044346874,0.112963242,0.080679763,0.043117168,0.137991303,0.035433137
7870,C32 H44 N7 O20 P3 S,Benzoylsuccinyl-CoA,988.1812,14.220966,0.591107301,0.680860795,0.405174049,0.652808284,0.384244456,0.53466959,0.563284003,-0.514097898,-0.637269787,-0.367155996,-0.547077419,-0.512476437,-0.467844991,-0.543918851
7871,<none>,<none> Esi+4.3270125,383.7646,4.3270125,1.182143265,1.298262292,1.115236416,1.132315126,1.335355854,1.404711098,1.104484421,0.627691704,0.713286699,0.525578376,0.632789061,0.629714244,0.764337353,0.53959122
7872,C20 H38 N6 O4,Leupeptin Esi+14.615986,426.2979,14.615986,1.806129803,1.954918602,1.572393161,1.868130258,1.735340201,1.778221017,1.815187041,-1.307245658,-1.461979441,-1.122650969,-1.285007083,-1.322085665,-1.282297805,-1.323330458
7873,C13 H20 N10,C13 H20 N10,316.1745,7.134003,0.298661547,0.592358475,0.149410687,0.630594202,0.094247302,0.710820999,0.000993813,0.22714808,0.548722711,-0.156484813,0.430995787,-0.08930202,0.594120798,-0.009452751
7874,C8 H18 O12 P S4,C8 H18 O12 P S4,464.9428,7.159016,1.119121182,0.964496242,0.983794253,0.888041436,1.168893469,1.016951081,0.988238121,0.489485856,0.520996938,0.451893687,0.411104329,0.593329163,0.469214406,0.502555606
7875,C9 H16 N6 O3,Decarbamoylsaxitoxin Esi+5.4339986,256.1308,5.4339986,0.287253148,0.30221703,0.310083468,0.449954788,0.247896559,0.518693479,0.180025875,-0.277452105,-0.289060017,-0.263604069,-0.329698013,-0.213863272,-0.443450378,-0.170426902
7876,C43 H80 N O8 P,"PE(20:0/18:3(9Z,12Z,15Z)) Esi+12.727026",791.5426,12.727026,0.881541661,0.745666535,0.842254584,0.637819589,0.969984994,0.634436929,0.924190522,1.110614342,1.103483524,1.119121282,1.043893344,1.177281479,1.006440698,1.177778928
7877,C33 H46 N O9,"Mivacurium Metabolite (Isoquinolinium, 2-[3-[[(4E)-7-carboxy-1-oxo-4-heptenyl]oxy]propyl]-1,2,3,4-te Esi+12.50602",617.3408,12.50602,1.46217856,1.675132069,1.169353607,1.574788651,1.317502372,1.516178696,1.418543072,-1.357304113,-1.603308956,-1.063824651,-1.38696731,-1.323242959,-1.368331331,-1.350194459
7878,C28 H49 N O8,Dihydropicromycin Esi+9.156988,544.3693,9.156988,0.56353396,0.56711847,0.594083095,0.853793443,0.152637912,0.909952864,0.330941452,-0.746551656,-0.708859401,-0.791517856,-0.99864385,-0.411060147,-0.98297622,-0.59412003
7879,C14 H24 O4,Monomenthyl succinate Esi+11.624016,256.1668,11.624016,2.005984044,1.859394812,2.120039069,2.018502379,1.992934669,1.933934479,2.032464612,1.576301803,1.51384286,1.650814227,1.624115902,1.503093074,1.633027999,1.539728335
7880,C29 H46 O6,"9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol Esi+9.612034",507.3508,9.612034,0.835450215,0.807802849,0.854645426,1.068995952,0.530239774,0.747224869,0.809017777,-0.42466317,-0.40534694,-0.447707093,-0.462678018,-0.391519504,-0.321852983,-0.490948685
7881,C45 H79 O7 P,"PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.490981 :1",784.5471,13.490981,0.287725213,0.108933419,0.686984755,0.267757676,0.442818594,0.380063774,0.325873241,0.151358157,0.089798225,0.224798077,0.149457703,0.139765007,0.191010543,0.125792804
7882,C12 H16 O6,Phenyl beta-D-glucopyranoside Esi+4.591997,256.0933,4.591997,0.511296173,0.397749277,0.460233794,0.258498643,0.703839364,0.175878664,0.633337748,0.402330837,0.37577478,0.434011748,0.359250864,0.504054632,0.27939818,0.481590051
7883,C36 H68 N O8 P,"PE(18:2(9Z,12Z)/13:0)",673.4744,15.19301,1.140462914,1.016458874,1.115069854,1.09843123,0.986208632,1.159944379,1.047714668,0.993312009,0.914857221,1.086907196,0.984816777,0.994338005,1.057248996,0.952089479
7884,C22 H23 N O7,(?)-alpha-Narcotine,413.1488,15.291014,1.713026321,1.742255654,1.302110986,1.599721413,1.521038184,1.491849032,1.628243167,-1.655043639,-1.77403484,-1.513089224,-1.641914844,-1.675431482,-1.65030009,-1.65810198
7885,C19 H17 N2,Sempervirine Esi+4.844984,272.1325,4.844984,1.046480882,0.980132718,1.168266063,1.212477789,0.924847792,1.24773218,0.939789859,0.970197313,0.934663215,1.012588869,1.159924458,0.697162057,1.202035773,0.820722516
7886,C33 H69 N P S2,C33 H69 N P S2,574.4586,15.293964,1.451886306,1.589636408,1.127949566,1.430984876,1.332260796,1.300453488,1.440692141,-1.632090066,-1.957376149,-1.244029476,-1.647556936,-1.61358287,-1.704341504,-1.585506902
7887,C17 H30 N2 O5,E-64d Esi+14.594975,342.2149,14.594975,0.050526433,0.065515505,0.093987213,0.148798187,0.013845895,0.400560722,0.156494181,0.106349341,0.076536217,0.141915876,0.132370407,0.053938114,0.282532977,-0.007242739
7888,C23 H32 N4 O4,Nummularine F Esi+10.078985,428.2404,10.078985,0.685930361,0.633948248,0.684238059,0.673220689,0.587969866,0.832272159,0.518531714,0.988871162,0.90954362,1.083507529,1.019885816,0.925019713,1.176301099,0.868028177
7889,C13 H24 N6 O4,Arg Pro Gly Esi+6.807006,328.1828,6.807006,0.078236263,0.134253311,0.045137565,0.237560656,0.209377132,0.156404825,0.032800475,0.067852598,0.088967867,0.042662453,0.171105565,-0.090164342,0.138717659,0.022163283
7890,C24 H44 N3 O3,C24 H44 N3 O3 Esi+15.243962,422.3371,15.243962,0.836732358,0.653754743,0.966219571,0.732585798,0.919744612,0.710817279,0.807626218,-0.32898651,-0.297844933,-0.366137865,-0.284649396,-0.411834115,-0.290536588,-0.353776591
7891,C34 H71 N7 O6 P S,C34 H71 N7 O6 P S,736.4915,13.867985,0.345929771,0.331171086,0.345676116,0.475309627,0.077969429,0.501171903,0.218314948,0.211755288,0.193347978,0.233714887,0.302688574,0.063639288,0.326402962,0.137837709
7892,C17 H27 N O4,Metipranolol Esi+7.368015,309.1928,7.368015,0.031351798,0.127610051,0.160491338,0.053254021,0.172891418,0.262135683,0.17621153,0.039817273,0.035307705,0.04519711,0.05779547,0.016826602,-0.011599044,0.072967267
7893,C20 H33 N8 O4,C20 H33 N8 O4,449.2622,9.383029,1.110762154,1.033465125,1.099146624,1.201027785,0.895468161,1.104458276,1.052488438,1.390624854,1.415446114,1.361013525,1.526782689,1.177836561,1.455165651,1.349013024
7894,C18 H4 N O20 P S,C18 H4 N O20 P S,616.8799,13.753976,0.99987737,1.253353024,0.467923256,0.920804616,0.943186375,1.083168563,0.89422399,-0.629125958,-0.858051372,-0.356021955,-0.614888324,-0.628550196,-0.76156272,-0.543739098
7895,C46 H74 O14,Hebevinoside V Esi+14.675032,850.5066,14.675032,0.277953471,0.337674164,0.117947089,0.209409543,0.338060461,0.160692769,0.284249527,-0.110399933,-0.199339192,-0.004296958,-0.029197473,-0.239915777,-0.045505216,-0.152239948
7896,C26 H44 O3,"2-Nor-1,3-seco-1?,25-dihydroxyvitamin D3 Esi+11.174004",426.3067,11.174004,0.479989718,0.486415883,0.412811268,0.628160986,0.313403144,0.384629951,0.466382286,-0.175854583,-0.161053844,-0.193511605,-0.166596592,-0.212348503,-0.098504377,-0.22572511
7897,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.845973",419.3489,9.845973,0.514084767,0.625780338,0.266960871,0.504491165,0.482079531,0.588058196,0.41382916,-0.238900224,-0.318217538,-0.144276061,-0.262876587,-0.229227708,-0.282274513,-0.210935222
7898,C24 H44 O3,15-oxo-18Z-tetracosenoic acid,380.3285,14.50197,0.883823477,0.99036404,0.660093979,0.777376736,0.924780946,0.92088237,0.840053422,-0.491220255,-0.603081139,-0.357772182,-0.500636952,-0.462678209,-0.521625918,-0.471616604
7899,C18 H34 O6,C18 H34 O6,346.2251,8.697999,0.167069961,0.105791813,0.44195915,0.098964049,0.242024424,0.056200533,0.231680954,-0.048034486,0.262000971,-0.417901348,0.039259863,-0.214485385,0.178818341,-0.194294862
7900,C26 H38 N9 O2,C26 H38 N9 O2,506.296,14.237042,0.800029757,0.598180545,1.155405645,0.948104589,0.685348844,0.864151641,0.834594909,0.765242569,0.635626618,0.919872124,0.766984021,0.752121009,0.704727834,0.804258648
7901,C20 H39 N O4,N-palmitoyl threonine Esi+10.531005,357.2872,10.531005,0.475051313,0.426373321,0.386552677,0.618873146,0.258213207,0.404717229,0.396268339,-0.322957533,-0.253290456,-0.406069134,-0.375798547,-0.25155506,-0.236463295,-0.378723555
7902,C43 H57 N4 P,C43 H57 N4 P,660.4315,16.243956,0.716956443,0.605292292,1.054294048,1.02602298,0.606715586,1.070810137,0.616900951,0.379948559,0.289582901,0.487753204,0.451100931,0.277665483,0.45241157,0.333228986
7903,<none>,<none> Esi+7.9040203,459.7845,7.9040203,0.075064382,0.026166265,0.1162427,0.246892848,0.202009457,0.292779255,0.068561408,-0.121155319,-0.036953316,-0.221606831,-0.2739454,0.070965771,-0.284798692,-0.015648407
7904,C36 H44 N4 O,Manzamine A Esi+10.170992,548.3527,10.170992,0.935090456,0.980074434,0.837923373,0.932126201,0.761700784,1.078344865,0.800238384,0.516675444,0.603776531,0.412765376,0.581086589,0.398092953,0.679581363,0.411643996
7905,C4 Cl O3,C4 Cl O3,130.9548,1.2980015,0.243527917,0.010933411,0.560438142,0.276823506,0.229357507,0.183151538,0.303677123,0.055336075,-0.094003901,0.233496047,0.052133903,0.075749041,0.022225817,0.076683478
7906,C36 H66 N16 O3 P,C36 H66 N16 O3 P,800.5367,14.14997,1.153632863,1.232895746,0.860760765,1.19066035,0.973299907,1.069320392,1.101053834,-0.804424273,-1.01491594,-0.553311408,-0.754060602,-0.869051708,-0.784281055,-0.817411349
7907,C32 H58 O9,C32 H58 O9 Esi+13.990982,586.4035,13.990982,0.346739379,0.331912474,0.057127673,0.215622929,0.371025748,0.10844941,0.430285578,-0.268248785,-0.43797672,-0.065766336,-0.195301895,-0.393204873,-0.102200076,-0.375306505
7908,C21 H38 N2 O,C21 H38 N2 O Esi+12.18602,334.2982,12.18602,0.968168906,1.174496484,0.521540595,1.071029153,0.932260163,1.401179085,0.768479712,-0.401531169,-0.56349796,-0.208307628,-0.396805631,-0.398926135,-0.590639756,-0.279605896
7909,C23 H54 N13 O14,C23 H54 N13 O14,736.39,8.185024,0.014861356,0.184998026,0.476566938,0.095397608,0.073318804,0.240185363,0.169276954,0.165065024,0.267581125,0.042765115,0.13894583,0.193122266,0.269313507,0.097852187
7910,C3 H7 Cl N O3 P,C3 H7 Cl N O3 P,170.9857,1.2720025,0.302207284,0.051943554,0.69356218,0.331407889,0.30424902,0.235923048,0.384929946,0.075902388,-0.133239903,0.325405471,0.085390455,0.080017296,0.027629247,0.10702586
7911,C7 H11 N O2,Guvacoline Esi+0.8280018,141.0798,0.8280018,0.113903293,0.481842144,0.324003681,0.653982522,0.492161799,0.817255471,0.342432674,-0.051210817,-0.252012071,0.188341556,-0.269098824,0.245240441,-0.425378933,0.190029152
7912,C17 H28 N6 O5,His Ile Gln Esi+9.906987,396.2119,9.906987,0.253390415,0.199046181,0.310847772,0.102859492,0.335794132,0.23842462,0.250641821,0.269324442,0.167836616,0.390397639,0.220317318,0.340558634,0.218136568,0.302327151
7913,<none>,<none> Esi+13.283993 :1,495.6678,13.283993,2.033680693,2.042522277,2.084302979,2.032453268,2.170582459,2.080217936,2.109704246,1.10010911,1.125899489,1.069341639,1.100051754,1.088266755,1.101351447,1.099308129
7914,C19 H4 N5 O18 P S,C19 H4 N5 O18 P S,652.901,12.830014,0.915573262,1.201091644,0.386464503,0.837952913,0.885790218,1.09119828,0.762666677,-0.49669436,-0.706741694,-0.246111576,-0.449627134,-0.539212612,-0.63694371,-0.406270438
7915,C45 H74 N O7 P,1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine,793.5035,8.328002,0.523442759,0.533784085,0.523680088,0.55210944,0.357982587,0.652349319,0.395801125,-0.650985135,-0.545941402,-0.776300466,-0.692051728,-0.590041293,-0.642679172,-0.656340295
7916,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.7509894,312.1564,7.7509894,1.00141588,1.044335799,0.990149526,0.927356474,1.064020741,1.069924858,0.948041856,-0.647519716,-0.635292537,-0.662106527,-0.610165675,-0.686829728,-0.703448859,-0.611460137
7917,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+15.103024",490.3046,15.103024,0.087205367,0.189265654,0.137301638,0.146005115,0.035969687,0.103435843,0.034369842,-0.001284848,-0.084515488,0.098007845,-0.019752441,0.023277888,-0.035839113,0.02099356
7918,C11 H21 N5 O3,Arg Pro,270.1551,5.3170066,0.225666053,0.066899921,0.360109033,0.064097574,0.212203485,0.23541016,0.187179553,0.126647129,0.007449345,0.268847994,0.100447653,0.154277156,0.171515577,0.097718787
7919,C43 H78 N O10 P,"PS(20:1(11Z)/17:2(9Z,12Z)) Esi+11.81803",799.539,11.81803,0.126346106,0.156146167,0.083064651,0.148774726,0.091287088,0.004597123,0.098916758,-0.002961946,-0.045878209,0.048236402,-0.001120488,-0.02996192,0.051501445,-0.038076501
7920,C16 H22 O4,Diisobutyl phthalate Esi+8.857019,278.149,8.857019,0.493806736,0.374082629,0.473782677,0.256994366,0.551023464,0.326645564,0.486860094,0.422060223,0.399434146,0.449052736,0.401984172,0.436036933,0.436743594,0.412593313
7921,C32 H72 N29 O S,C32 H72 N29 O S Esi+13.988024,910.6146,13.988024,1.278793808,1.285087165,1.299237502,1.192854721,1.354804335,1.342315985,1.293271365,0.881056892,0.958300653,0.78890644,0.875383384,0.860361975,0.983058348,0.815292795
7922,C19 H30 O7,"(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside",370.1965,6.9599924,1.363729811,1.27920556,1.136924808,1.251642239,1.205904569,1.16036746,1.319412861,1.353633267,1.457392753,1.22985002,1.327248918,1.354412456,1.387364984,1.331885187
7923,C43 H70 O11,A28086B Esi+8.17898 :1,784.4788,8.17898,0.136566026,0.002901557,0.328751714,0.189447933,0.06128694,0.014145871,0.197937908,-0.063004125,0.022233934,-0.164691634,-0.068129975,-0.071646941,0.031049686,-0.123644082
7924,C36 H60 O8,Ginsenoside Rh4 Esi+13.232973,642.4087,13.232973,0.924919754,0.981476027,0.854492207,0.780880952,1.035228903,0.933134207,0.930005786,0.419513014,0.498165622,0.325681832,0.387367393,0.454773929,0.450436417,0.399575557
7925,C18 H3 Cl N O9 P S5,C18 H3 Cl N O9 P S5,602.7836,5.120988,2.11896008,2.114648546,2.042817382,2.163565928,2.151050647,2.069581686,2.14127054,2.966209313,2.975497498,2.955128671,2.860162439,3.140281379,2.970093047,2.963705326
7926,C24 H40 O3,11beta-Hydroxy-5beta-cholan-24-oic Acid Esi+8.135989,398.2751,8.135989,0.437491736,0.540084049,0.170243764,0.605535869,0.060551682,0.981556081,0.019576107,-0.77166467,-0.84207214,-0.687669792,-1.098732279,-0.262755702,-1.3729907,-0.383967624
7927,C19 H21 N6 O21 P S,C19 H21 N6 O21 P S Esi+14.433039,732.0221,14.433039,0.95166601,1.039638321,0.670383138,1.191758842,0.634620846,1.137153366,0.822603249,-0.518981363,-0.594610163,-0.42875753,-0.599903977,-0.424399141,-0.581196077,-0.478869244
7928,C9 H14 O3,cis-3-Hexenyl pyruvate Esi+5.4449916,170.0942,5.4449916,0.151617768,0.363136977,0.247463005,0.371780025,0.099167674,0.193650859,0.055493027,0.001954212,-0.165603918,0.201848122,-0.016870218,0.036324769,-0.022216007,0.017537643
7929,C15 H24 N6 O6,Gln His Thr Esi+8.641993,384.1803,8.641993,0.106767371,0.176338995,0.100813678,0.074421461,0.029191907,0.442464882,0.190542113,-0.077437539,-0.10276628,-0.047220796,-0.160678457,0.02766639,-0.3192315,0.078455935
7930,C42 H73 O8 P,"PA(17:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+8.183985",735.4968,8.183985,0.041720457,0.16150173,0.187026348,0.066482009,0.146860944,0.246233119,0.034778519,0.02380321,0.080762674,-0.044148432,-0.007213819,0.074064549,0.102218443,-0.02675398
7931,C38 H58 O6,Armillatin,610.42,15.093995,0.535630197,0.721206091,0.202037373,0.500412913,0.502571545,0.53054276,0.42918459,-0.246041395,-0.409332415,-0.051238072,-0.243237655,-0.253075706,-0.311671923,-0.203726975
7932,C20 H30 N6 O6,Glu Phe Arg Esi+9.333986,450.223,9.333986,1.598540277,1.755338456,1.435355946,1.66887373,1.566088973,1.831794515,1.506154992,-1.003409419,-1.089886867,-0.900243342,-1.119655637,-0.85244646,-1.14287676,-0.913489687
7933,C33 H57 N8,C33 H57 N8,565.4692,16.172056,0.147826745,0.049003205,0.418926463,0.285867465,0.059470951,0.532801094,0.026689003,0.302979421,0.191994837,0.435382082,0.408292134,0.139093506,0.480001361,0.188846854
7934,C38 H68 O6 S2,C38 H68 O6 S2,684.4454,13.889966,0.10569182,0.322191433,0.306156523,0.159267155,0.009672852,0.066932545,0.117248596,0.089346029,-0.195306918,0.428932001,0.092011499,0.058709557,0.120706766,0.069126607
7935,C14 H16 N7 O,C14 H16 N7 O,298.1398,6.540008,2.413033056,2.317823822,2.388179661,2.343517776,2.43881856,2.215418676,2.502795099,2.562112861,2.47002226,2.671975333,2.481613254,2.654206247,2.463631906,2.625607162
7936,C22 H26 O11,Agnuside,466.1515,8.698981,1.057719723,0.951017216,1.198564607,1.084859736,1.169573154,0.774463946,1.250168319,0.443690528,0.457476024,0.427244674,0.43164382,0.461766962,0.360877352,0.497083234
7937,C28 H51 N11 O3,C28 H51 N11 O3,589.4148,14.208007,0.571530166,0.455165805,0.586776903,0.199406567,0.83468405,0.436863493,0.572024527,0.500580767,0.479067984,0.52624514,0.418007807,0.593565056,0.515579399,0.490910596
7938,C21 H38 N,Benzalkonium Esi+12.0180025,303.2921,12.0180025,0.749317451,0.938975032,0.440944106,0.799656787,0.814276035,0.866834457,0.699041548,-0.215558142,-0.312343488,-0.100094923,-0.196429574,-0.245421892,-0.253577262,-0.191045815
7939,C43 H85 Cl N4 O12 S,C43 H85 Cl N4 O12 S,916.5573,8.286989,0.169241881,0.450092358,0.248582942,0.217007317,0.002198387,0.683526428,0.177960782,0.081567656,0.24287596,-0.11087032,0.126314432,-0.013513474,0.331085225,-0.079305513
7940,C17 H26 N6 O4,Pentosidine,378.2013,11.785994,0.650189461,0.75815119,0.484220412,0.614903935,0.684705649,0.530467617,0.787028058,-0.492487157,-0.552051866,-0.421427504,-0.364684985,-0.655154608,-0.368685913,-0.57230638
7941,C19 H35 N O4,CAY10580 Esi+9.68001,341.256,9.68001,0.38711348,0.779111639,0.124538253,0.373579448,0.348830757,0.436206122,0.326659954,-0.222641801,-0.4616125,0.06244605,-0.192898187,-0.289597549,-0.239581969,-0.211719851
7942,C18 H24 N4 O,Granisetron Esi+9.784019,312.1906,9.784019,1.498624853,1.50249756,1.405456582,1.534378344,1.477971205,1.405091794,1.547929643,1.231159665,1.194064502,1.275413543,1.208189798,1.256717775,1.138202586,1.291092518
7943,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.170005,258.1444,5.170005,0.006722156,0.317704554,0.296306605,0.191496556,0.225599515,0.152776237,0.060059997,0.018882479,0.138599136,-0.123937393,0.122060763,-0.137004488,0.111420729,-0.04078034
7944,C37 H64 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+9.089998 :1",680.4312,9.089998,0.280335817,0.392458374,0.1152939,0.292117813,0.294630345,0.502612353,0.231567196,0.128872668,0.21725819,0.02343029,0.173037263,0.044640501,0.270922359,0.037287999
7945,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.211003,312.1549,7.211003,2.601881691,2.565724189,2.638599062,2.594157865,2.72519347,2.592750506,2.637045222,2.26446498,2.297757042,2.224748134,2.163912447,2.380696212,2.256171456,2.269812121
7946,C33 H65 N O9 P,PC(16:0/9:0(CHO)) Esi+12.178972,672.4168,12.178972,0.88761363,0.760892699,1.155194299,0.883115767,0.988658446,0.856603755,1.01206494,0.560948981,0.532725089,0.594619588,0.564226692,0.548343135,0.54522844,0.571084592
7947,C36 H61 N9 O3 S,C36 H61 N9 O3 S,699.4615,12.571029,1.685756897,1.668193431,1.632129436,1.760538739,1.51451898,1.702455617,1.634161476,1.211510083,1.272255502,1.139041865,1.276656903,1.097795161,1.285108893,1.164058219
7948,C27 H44 N2 O3,N-Nitrosotomatidine Esi+11.800028,444.3324,11.800028,0.859423428,0.990373165,0.346682324,0.732353386,0.869627051,0.753006304,0.863699696,-0.389584979,-0.539700932,-0.21049928,-0.362788384,-0.443553221,-0.380543217,-0.395414536
7949,C12 H12 N4,MeIQ Esi+5.7259974,212.1047,5.7259974,0.333062448,0.380684705,0.175178633,0.260928784,0.487876138,0.092905046,0.4643532,-0.194363561,-0.2166224,-0.167809156,-0.049528252,-0.408807733,0.010814168,-0.326649201
7950,C44 H72 O11,Oligomycin D Esi+8.614992 :2,793.5388,8.614992,0.576088285,0.494364984,0.739669964,0.767439792,0.330268759,0.468715573,0.564855949,-0.298430358,-0.221143808,-0.390631855,-0.331009636,-0.272453667,-0.188080268,-0.369577126
7951,C48 H85 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) Esi+9.124017",851.5801,9.124017,0.115889781,0.059365754,0.279701133,0.251442659,0.006959163,0.182864103,0.081950652,-0.202525272,-0.14913829,-0.266215004,-0.284432058,-0.113943208,-0.142815851,-0.241022135
7952,C12 H22 N4 O7,Gln Ser Thr,334.152,4.571,0.187513401,0.10612664,0.174016976,0.246422698,0.011109902,0.35275037,0.030014869,-0.24171073,-0.227505086,-0.258657814,-0.329625061,-0.076645666,-0.406111867,-0.13571526
7953,C29 H51 N8 O,C29 H51 N8 O,527.4136,9.545006,1.426293646,1.539171331,1.310072356,1.492429394,1.444029112,1.457544768,1.47722242,-0.443106898,-0.513486554,-0.359145203,-0.43237739,-0.460441209,-0.421116566,-0.457284875
7954,C14 H26 N6 O6,Arg Glu Ala Esi+6.4530025,374.192,6.4530025,0.100090761,0.030509191,0.248557289,0.084198453,0.127062454,0.029185253,0.135227896,-0.129374354,0.019099431,-0.306500974,-0.04107353,-0.264597983,-0.00293765,-0.210892755
7955,C42 H76 N O10 P,"PS(18:1(9Z)/18:2(9Z,12Z))[U] Esi+10.293973",785.5227,10.293973,0.933791736,0.773037609,1.051511185,1.093792372,0.638591718,0.783007124,0.915242973,-0.491991554,-0.409268844,-0.590678295,-0.523470959,-0.469014422,-0.366976682,-0.572593247
7956,C26 H31 N8 O25 P,C26 H31 N8 O25 P,886.1138,13.868965,0.322403879,0.353559501,0.089393955,0.333042379,0.069506461,0.135607493,0.298978396,-0.088133071,-0.135184956,-0.032000998,-0.08156584,-0.116625197,-0.015378907,-0.135040361
7957,C24 H24 N15 O17 P S,C24 H24 N15 O17 P S,857.0922,13.613023,0.214106361,0.291447656,0.07369217,0.224456401,0.021690229,0.048431823,0.177901215,-0.033519604,-0.086856929,0.03011089,-0.02569526,-0.060695506,0.024735279,-0.071078673
7958,C34 H57 N O5 P S,C34 H57 N O5 P S,622.3719,14.406005,0.478342143,0.265852287,0.839535918,0.493896749,0.437932104,0.694113605,0.348364237,0.453028362,0.298378673,0.637522726,0.482936436,0.383359015,0.575531785,0.374045891
7959,C26 H40 Cl N16 O2,C26 H40 Cl N16 O2,642.2767,12.127993,0.957989167,0.711087755,1.186408905,0.823178013,1.049684182,0.996444932,0.891468088,0.345408927,0.280260199,0.423130218,0.302560357,0.396289712,0.357146904,0.337841022
7960,C30 H61 N8 O2 S2,C30 H61 N8 O2 S2,629.4326,9.54299,0.664174681,0.507666389,0.721238367,0.480264177,0.686158812,0.686276773,0.569349488,0.314900189,0.302482419,0.329714372,0.267698555,0.351439392,0.391579601,0.265462148
7961,C19 H39 N O2,Heptadecanoyl Ethanolamide Esi+11.361007,313.2971,11.361007,1.089082385,1.019845101,1.232037262,0.923657404,1.445734417,0.95560368,1.258894573,0.729908388,0.643227995,0.833316576,0.579294606,0.972507241,0.554458839,0.843027176
7962,C22 H41 N O2,"Anandamide (20:2, n-6) Esi+14.117976",351.3135,14.117976,1.197300954,1.223881091,0.963306325,0.955367589,1.353948738,1.230674428,1.130999339,-0.876304371,-0.969469826,-0.765159619,-0.798884417,-0.99317597,-0.957485156,-0.823964129
7963,C16 H22 O5,Tocopheronic acid Esi+7.715975,294.1446,7.715975,0.498162665,0.204047312,0.798101817,0.451783274,0.491850119,0.238401858,0.657323011,0.466657877,0.262587207,0.710110607,0.425299305,0.511302013,0.297179969,0.575926529
7964,C10 H2 Cl2 N2 O11 P S5,C10 H2 Cl2 N2 O11 P S5 Esi+13.229003 :1,586.7402,13.229003,0.02841141,0.071095144,0.342968195,0.005418298,0.272138238,0.095250063,0.10914958,0.063718425,0.020652194,0.115095683,0.057168223,0.060021716,0.072823846,0.057847824
7965,<none>,<none> Esi+12.897968,588.8375,12.897968,0.787699942,0.5259103,1.233509441,0.80524835,0.851314023,0.601075902,0.943627066,0.469662945,0.327065788,0.639778851,0.482144747,0.46556483,0.338399595,0.554293262
7966,C23 H28 O5,Armillarivin,384.1935,11.7959795,0.690773307,0.498914416,1.237711218,1.083872637,0.500333184,0.834067836,0.775836052,0.239510073,0.194822537,0.292821518,0.294370471,0.159756441,0.228859755,0.246376725
7967,C18 H33 N15 P,C18 H33 N15 P,490.2756,9.040016,1.232341491,1.272857935,1.020045399,1.328185215,1.066479621,1.220629744,1.155455376,1.378881785,1.503382901,1.230354137,1.525922155,1.168359319,1.453060902,1.331055775
7968,C38 H69 N O8 P,"PC(12:0/18:4(6Z,9Z,12Z,15Z)) Esi+11.137962",697.4711,11.137962,0.263492859,0.172583878,0.44120204,0.202814175,0.37123364,0.3891691,0.23824752,0.141934485,0.122240716,0.165428806,0.133710736,0.127075509,0.217881659,0.092968545
7969,C43 H74 N2 O14,Spiramycin 1 Esi+8.655022,842.5204,8.655022,0.524546215,0.727834201,0.150372923,0.555049865,0.270901678,0.854855851,0.244609941,0.254067113,0.400598994,0.079257151,0.338465861,0.105151652,0.486244155,0.104374021
7970,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+10.983976",377.2042,10.983976,0.445443148,0.619085402,0.225800504,0.543057949,0.239477924,0.6457762,0.271293151,-0.12494238,-0.180425764,-0.058751675,-0.15412186,-0.068566997,-0.191934913,-0.081749825
7971,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.93701 :2",414.2254,9.93701,0.083785556,0.276359702,0.16195704,0.203711878,0.05911232,0.042622237,0.137486834,-0.061456097,-0.255110632,0.169570366,-0.056083186,-0.085127311,-0.037470089,-0.07692076
7972,C21 H35 N O4,C21 H35 N O4 Esi+9.655021,365.2582,9.655021,0.905254908,0.926968633,0.882828092,0.886581111,0.915358863,0.919912306,0.924511249,0.655971389,0.723702126,0.575169808,0.692836669,0.589014355,0.692921302,0.632148419
7973,C23 H24 O3,Callytriol C,370.1555,15.2040205,1.972969115,2.145093949,2.025500133,2.161186238,2.139250446,2.293073791,2.036217269,1.565488345,1.679358825,1.429642861,1.661124709,1.426621682,1.669295422,1.498560099
7974,C42 H79 O8 P,"PA(22:2(13Z,16Z)/17:0) Esi+14.785958",742.5472,14.785958,1.645817029,1.670829999,1.424228044,1.426282011,1.951653186,1.461831625,1.746812987,-2.415862854,-2.622040906,-2.169896055,-2.037969232,-2.932066945,-2.220012368,-2.542134878
7975,C51 H95 O12 P,"PI(P-20:0/22:2(13Z,16Z)) Esi+13.728023",929.6368,13.728023,0.823408014,0.845957404,0.578502246,0.881830916,0.480482228,0.675360684,0.793884655,-0.336117741,-0.421095829,-0.234740372,-0.354264631,-0.333887329,-0.293989782,-0.363279188
7976,C16 H26 O6,Perilloside A Esi+6.1469836,314.1713,6.1469836,0.198612734,0.133049503,0.159753782,0.276113725,0.09290416,0.065932725,0.304484896,-0.100329356,-0.108149093,-0.091000547,-0.128988873,-0.026346999,0.025926991,-0.181731474
7977,C21 H42 Cl N9 O2,C21 H42 Cl N9 O2,487.3139,13.785961,0.927822647,0.827725644,0.943688338,0.977217243,0.68842283,1.127086807,0.740258307,1.875729018,1.802167181,1.963486999,2.111761115,1.526543753,2.411614252,1.530224065
7978,C23 H40 O7,1(3)-glyceryl-PGF2? Esi+12.550023,428.2767,12.550023,0.923672313,0.747840385,1.062179001,0.891126965,0.982660444,0.761857043,0.982038356,-0.895481904,-0.825198498,-0.979328774,-0.766898337,-1.046048538,-0.740536637,-0.995380825
7979,C45 H83 Cl N8 O4 P,C45 H83 Cl N8 O4 P,865.5959,10.540019,0.142749839,0.090647536,0.26353472,0.057696344,0.228839526,0.285406315,0.076969832,0.083484111,0.052892958,0.11997882,0.06563484,0.080972294,0.188420533,0.015827733
7980,C20 H41 N O4,C20 H41 N O4,359.3025,11.129981,0.436460637,0.477219466,0.301560228,0.34140263,0.52431811,0.232505417,0.529090153,-0.339769308,-0.455834412,-0.201305675,-0.304282027,-0.417812853,-0.248013554,-0.398927623
7981,<none>,<none> Esi+12.458007 :1,440.8236,12.458007,0.54618723,0.612683539,0.328396803,0.667937879,0.353845606,0.4626077,0.47299405,-0.179321917,-0.21668322,-0.134750538,-0.160401733,-0.219627254,-0.118335886,-0.218641858
7982,C20 N2 O20,C20 N2 O20 Esi+14.238022,587.9039,14.238022,1.015326134,0.998011718,0.938458108,0.794819835,1.094791003,0.945218678,0.967053135,0.673332315,0.678629241,0.667013175,0.589885212,0.780263102,0.674204251,0.672770145
7983,C32 H51 N O10,"b-D-Glucopyranosiduronic acid, (3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl Esi+5.2470026",609.3488,5.2470026,0.073047384,0.145023918,0.413602343,0.054631252,0.298422138,0.272973922,0.334248614,-0.060472812,0.086581402,-0.235905911,0.051538264,-0.259551174,0.222129349,-0.242676838
7984,C26 H54 N O7 P,PC(2:0/O-16:0)[U] Esi+9.150005,522.3559,9.150005,0.653296955,0.702302391,0.636057644,0.883648818,0.334448122,0.977508625,0.458898715,-0.777163464,-0.769052582,-0.786839604,-1.000839127,-0.480065095,-0.988088091,-0.641172586
7985,C42 H40 O25,Apigenin 7-[p-coumaroyl-(-2)-[glucuronyl-(1-3)]-glucuronyl-(1-2)-glucuronide],966.1685,14.323979,1.25514697,1.300294244,1.148291314,1.339303435,1.104849874,1.296265446,1.288829978,-0.832011229,-0.964485834,-0.673971349,-0.833375832,-0.839005347,-0.751173336,-0.884130397
7986,C28 H26 N19 O15 P S,C28 H26 N19 O15 P S Esi+12.745037,931.1291,12.745037,0.034254617,0.043702006,0.237241967,0.078878715,0.108849547,0.173188075,0.005201159,0.080791278,0.035756699,0.134516742,0.10987211,0.014945387,0.139534139,0.042917592
7987,C26 H53 O9 P,PG(20:0/0:0),540.3374,12.638981,1.348352786,1.49170711,1.128259507,1.45491461,1.22314435,1.42204509,1.29224154,0.970720786,1.118179916,0.794804631,1.065329042,0.865726108,1.088256306,0.894941306
7988,C35 H58 O12,Fungichromin Esi+13.157975,692.3742,13.157975,0.144161642,0.059863899,0.326905207,0.22199332,0.045137236,0.34715947,0.01952732,0.109712221,0.015153835,0.222518716,0.197352483,-0.030927802,0.18558692,0.060793007
7989,C24 H36 N17,C24 H36 N17,562.3366,10.4740095,0.355513346,0.643922275,0.042115024,0.590805172,0.053510009,0.697666912,0.131587905,0.289582099,0.535017042,-0.003217482,0.495124874,-0.018937633,0.561609862,0.114195778
7990,C20 H48 N23 P,C20 H48 N23 P,641.4204,11.738021,1.508491371,1.482023881,1.570042011,1.486636012,1.444424808,1.470912073,1.555590081,0.874474355,0.935228653,0.801995544,0.903642544,0.810270455,0.933271408,0.836565728
7991,C29 H55 O8 P,PA(14:1(9Z)/12:0),562.3602,16.256044,0.274095286,0.082771124,0.796696182,0.327985495,0.36832143,0.725989493,0.176335724,0.249973128,0.134882838,0.387273824,0.259012723,0.216587686,0.370611036,0.172193424
7992,C31 H56 N5 O12 S,C31 H56 N5 O12 S,722.3649,14.596982,1.372467275,1.348334164,1.363308924,1.442938382,1.28683723,1.496842474,1.272937706,0.723327015,0.696478332,0.755357024,0.750165856,0.685498138,0.780015697,0.686777734
7993,C45 H75 N11 O2 P S,C45 H75 N11 O2 P S,864.558,15.11897,0.166122591,0.137144684,0.073832568,0.111221902,0.201527739,0.032792735,0.144645444,-0.103537179,-0.184760151,-0.006639599,0.021339165,-0.320200089,-0.146650372,-0.075740516
7994,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+6.22099",226.1203,6.22099,0.104030559,0.035801979,0.34274173,0.008519276,0.188380684,0.21795315,0.072507926,0.065750136,-0.028693938,0.17842026,0.043913846,0.077743944,0.162689844,0.003249535
7995,C43 H75 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) Esi+9.532983",749.5101,9.532983,0.669678461,0.321118283,1.058954419,0.77961643,0.505407867,0.548682432,0.686558359,-0.544556455,-0.275380175,-0.865679035,-0.584870852,-0.523628025,-0.418871175,-0.625590386
7996,C13 H19 N5 O4,His Gly Pro,326.1703,11.107009,0.051095736,0.148163807,0.105291491,0.111640606,0.130008753,0.218546518,0.011064587,0.068096579,0.068388498,0.067748325,0.064184008,0.088240885,0.093679887,0.051602078
7997,C45 H78 N O9 P,"PE(18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))",806.5345,15.105971,0.576847928,0.678998146,0.177375383,0.4271574,0.53086843,0.290147309,0.557450084,-0.172320873,-0.250842158,-0.078646358,-0.151172038,-0.215839999,-0.117344631,-0.207766082
7998,C32 H56 O5,C32 H56 O5 Esi+16.156986,520.4144,16.156986,1.152477433,1.271828448,0.815601563,1.135087409,1.035478596,0.995516343,1.147700075,-0.849923021,-1.07006115,-0.587302096,-0.742730452,-1.011639849,-0.718020014,-0.93496575
7999,C31 H63 N8 O7,C31 H63 N8 O7 Esi+12.743973,659.4792,12.743973,1.63436645,1.841198502,1.601169845,1.833033412,1.85410709,1.906615481,1.714861084,-1.572455012,-1.756628373,-1.352739423,-1.455970012,-1.71862046,-1.402470109,-1.682050541
8000,C19 H38 N10 P,C19 H38 N10 P,437.2928,13.020016,1.503535009,1.270877148,1.990971706,1.566692999,1.609786831,1.49652302,1.595538631,1.482087007,1.221834595,1.792563568,1.512871703,1.439801982,1.336654939,1.575852419
8001,C13 H26 N2 O2,C13 H26 N2 O2 Esi+8.668975,242.1961,8.668975,1.003716887,1.073880964,0.850680404,0.985697204,1.019123794,1.098270272,0.845719276,-0.762595625,-0.76294541,-0.762178337,-0.712652608,-0.802055202,-0.796010734,-0.741051673
8002,C35 H43 Cl N2 O8,Cryptophycin 1 Esi+5.797985,654.2735,5.797985,1.767052875,1.655568524,1.717229638,1.551383147,1.969383196,1.585363491,1.80743398,1.446534694,1.466637593,1.422552288,1.269118177,1.718261657,1.401055695,1.47585668
8003,C31 H45 N5 O P,C31 H45 N5 O P,532.3433,9.599999,0.555320063,0.770546525,0.241475947,0.659696888,0.416617973,0.873468356,0.400270329,0.301050184,0.47273931,0.09622807,0.368816727,0.179555631,0.485209476,0.182315904
8004,C19 O21 P,C19 O21 P,594.8667,13.761977,1.294361188,1.520082142,0.841506625,1.244776854,1.276534718,1.44420309,1.17551549,-0.613581127,-0.791273155,-0.401597656,-0.608425094,-0.605845331,-0.708472565,-0.552401121
8005,C36 H79 N27 O3 P,C36 H79 N27 O3 P,968.6581,14.275951,1.096432052,1.030167497,1.1332974,1.144473977,1.031359312,1.215569834,1.018023751,0.749514092,0.735944971,0.765701816,0.79531149,0.664751799,0.861067477,0.677591515
8006,C33 H50 O10,"(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)",606.3382,14.579033,0.608032267,0.533041323,0.618976229,0.582680644,0.558766952,0.639008953,0.579825937,0.45121846,0.438599178,0.466273041,0.49004133,0.402637269,0.524719233,0.403829803
8007,C30 H50 O6,Theasapogenol A Esi+14.123028,506.3597,14.123028,0.84649332,0.964135152,0.466433347,0.808499854,0.779429125,0.744371368,0.788315117,-0.614238163,-0.937085332,-0.229087155,-0.641932966,-0.618488932,-0.613689884,-0.614591659
8008,C25 H7 N2 O19 P,C25 H7 N2 O19 P Esi+12.176021,669.9386,12.176021,1.564367434,1.535969866,1.692829723,1.579389277,1.547644421,1.585028499,1.642123118,0.879105033,0.906495005,0.846429276,0.91434905,0.808401492,0.93614639,0.842328368
8009,C43 H74 N2 O14,Spiramycin 1 Esi+8.655022 :1,842.5202,8.655022,0.549629817,0.747369781,0.190542099,0.565280881,0.311148921,0.885488302,0.272814845,0.273516491,0.416769765,0.102617849,0.357452494,0.126641617,0.509414783,0.121424171
8010,C18 H40 N9 S2,C18 H40 N9 S2 Esi+9.472006,446.2861,9.472006,0.079421397,0.04627667,0.131071354,0.054205535,0.103933558,0.057817611,0.152941017,-0.033275924,0.01456616,-0.090350691,0.012719235,-0.087560651,0.127642121,-0.137025716
8011,C28 H48 N O9 P,"PS(22:4(7Z,10Z,13Z,16Z)/0:0)",573.3044,15.706038,1.378251647,1.521170291,1.112242831,1.30012632,1.467432944,1.409866036,1.377210864,-1.029585112,-1.212799636,-0.8110134,-1.0374704,-1.023425578,-1.067166104,-1.005355262
8012,C29 H46 N O4,Cervonyl carnitine Esi+8.762968 :2,471.336,8.762968,0.826465635,0.765920588,0.814440526,0.88162055,0.652965656,0.739864392,0.799154212,-0.449463967,-0.378426878,-0.534209968,-0.443331993,-0.48112548,-0.319992339,-0.532939096
8013,C35 H61 N O12,Oleandomycin Esi+14.468995,687.421,14.468995,0.696357603,0.931783166,0.215568838,0.852175077,0.501100899,0.764095135,0.556449258,-0.613798568,-0.883176427,-0.292435509,-0.702194465,-0.536499123,-0.714614322,-0.548798938
8014,C21 H38 O7,Erythronolide B Esi+11.087982,402.2603,11.087982,0.17619584,0.110160094,0.226024507,0.00682564,0.271913672,0.129419431,0.249271379,0.353945355,0.271698802,0.452064049,0.320360108,0.382310347,0.393341314,0.328545328
8015,C12 H20 O3,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate Esi+7.9090247",212.1412,7.9090247,0.336745567,0.20689193,0.49895158,0.099702595,0.763853902,0.097078579,0.65437978,0.214020287,0.094363925,0.356768227,-0.052298697,0.586235494,-0.14993491,0.448675611
8016,C21 H30 N4 O5,Leu Thr Trp,418.2159,6.6240144,0.532448303,0.128515624,0.898242408,0.384627745,0.665271299,0.228855681,0.637719309,-0.3733709,-0.047567848,-0.762048224,-0.227930537,-0.588143874,-0.108211172,-0.544329145
8017,C17 H25 N3 O4,Ile Gly Phe,334.1746,9.765009,1.60499464,1.508700418,1.677999176,1.584388534,1.616474914,1.651140328,1.580370537,1.209554373,1.15106858,1.279326899,1.223006237,1.188477901,1.27225233,1.169130691
8018,C49 H67 N5 O2 P,C49 H67 N5 O2 P Esi+13.548025,786.5012,13.548025,0.260723943,0.165860992,0.384786377,0.46375628,0.058262882,0.364200095,0.191029192,0.139652877,0.111773912,0.172911994,0.215405594,0.029356497,0.171129608,0.11935867
8019,<none>,<none> Esi+10.972986,490.8034,10.972986,0.517489687,0.848753858,0.171253535,0.557451993,0.329796622,0.611171018,0.370762709,-0.203971084,-0.397175214,0.026518054,-0.227231985,-0.163442888,-0.282254521,-0.153498868
8020,C39 H43 F N2 O12,o-Hydroxyatorvastatin (Glucoronide_1),750.2778,8.551019,0.278807802,0.124561931,0.526532208,0.203763043,0.456870974,0.015792774,0.504255138,0.124732731,0.077168852,0.181475605,0.035762315,0.251067528,-0.018211146,0.216893915
8021,C19 H35 N O4,CAY10580 Esi+9.487034 :1,341.2563,9.487034,0.455914779,0.453539935,0.432005159,0.457675686,0.448062917,0.661485282,0.380336282,0.337365259,0.37280557,0.295085591,0.327775873,0.339135387,0.433034056,0.275684062
8022,C15 H18 N4 O4,Tyrosyl-Histidine Esi+3.6279945,318.129,3.6279945,0.4253864,0.547966156,0.248150999,0.368690904,0.47719293,0.501909505,0.32419071,-0.2958125,-0.38106974,-0.194102109,-0.218981185,-0.365540639,-0.372746441,-0.246210355
8023,C19 H29 N3 O6,Thr Tyr Ile,394.1972,9.41799,0.373972886,0.203318418,0.480768788,0.082102862,0.521991871,0.342165021,0.353551929,0.268196203,0.214171597,0.332646611,0.191228113,0.346414299,0.333596342,0.226030324
8024,C16 H30 N2,Phlegmarine,250.2408,10.718995,1.892335793,2.005017065,1.889548666,1.83027902,2.199489102,2.04631104,1.968282771,-1.016019437,-1.125631446,-0.885254234,-0.965640779,-1.096425347,-1.018107706,-1.014673054
8025,C18 H42 N20 P,C18 H42 N20 P,569.3698,13.019027,1.542422493,1.514966726,1.437881726,1.405717449,1.59121701,1.375638135,1.598043391,0.863585639,0.923791325,0.791761312,0.836627101,0.891207556,0.82420861,0.88897346
8026,C23 H34 N6 O2,C23 H34 N6 O2,426.267,8.525017,1.181882925,0.970018356,1.449512956,0.954569097,1.516312729,0.867408083,1.395769073,1.381570934,1.065596258,1.75852318,1.087184727,1.83320656,0.978450788,1.641477345
8027,C20 H27 N5 O4 S,Phe Met His,455.1636,11.021978,0.824652442,0.648770277,1.197217089,0.852255603,0.905992471,0.575229517,1.162791475,0.236112116,0.210270074,0.266941219,0.240245469,0.228528387,0.18365977,0.269930076
8028,C25 H44 N10 O,C25 H44 N10 O,500.3749,14.758038,0.300671853,0.474224695,0.102275241,0.433987701,0.181494986,0.454639139,0.227578057,-0.15551093,-0.26467776,-0.025276817,-0.213546263,-0.116847166,-0.23173917,-0.106363775
8029,C34 H8 N5 O16,C34 H8 N5 O16 Esi+13.631033,741.9959,13.631033,1.73207024,1.669829165,1.849728274,1.72814965,1.762740595,1.802660876,1.734064756,0.831628027,0.853913715,0.805041593,0.839815665,0.803985925,0.879624722,0.800682789
8030,C32 H40 N4,Borreverine Esi+15.188978,480.3247,15.188978,1.487121277,1.605640565,1.266923609,1.448707804,1.585983211,1.467233027,1.507839846,-0.716488802,-0.788782671,-0.630243485,-0.662846691,-0.803428594,-0.685284801,-0.736607171
8031,<none>,<none> Esi+14.334976 :1,849.0951,14.334976,0.541101744,0.754057018,0.007262057,0.530429608,0.416595233,0.491661104,0.428737169,-0.184981525,-0.340032381,-8.57E-06,-0.120776157,-0.298738856,-0.151030409,-0.20687106
8032,C45 H74 N O10,C45 H74 N O10,786.5253,13.455018,0.327986971,0.23630582,0.264406569,0.233880508,0.357513491,0.100970339,0.317441966,-0.163622228,-0.125456758,-0.209152965,-0.091512675,-0.28331561,-0.097044401,-0.206547407
8033,C39 H71 O10 P,"PG(20:3(8Z,11Z,14Z)/13:0) Esi+15.052982 :1",729.4672,15.052982,0.702281582,0.751719379,0.479874259,0.697707973,0.485150694,0.498984911,0.648586684,-0.549196906,-0.69285969,-0.377809725,-0.517233863,-0.584590748,-0.41628742,-0.634888548
8034,C36 H50 O7,"Glycosyl-4,4'-diaponeurosporenoate Esi+7.43799",594.3584,7.43799,0.449734733,0.705374746,0.006153701,0.45448266,0.241954229,0.654379872,0.232803868,0.18061812,0.3608122,-0.034350257,0.245184134,0.06730716,0.364257013,0.062219359
8035,C18 H31 N,C18 H31 N Esi+10.694003,261.2451,10.694003,0.175533205,0.541109712,0.586647627,0.06873467,0.195659673,0.194089395,0.090916548,-0.025088191,-0.123050814,0.091779499,-0.003857878,-0.053193133,-0.040149253,-0.01537777
8036,C43 H76 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/15:0)",814.5438,10.649015,0.831911147,0.70734172,0.881485092,0.99523345,0.590483131,0.535085919,0.927621361,-0.605328666,-0.485114977,-0.748741488,-0.647546963,-0.57383583,-0.327498017,-0.784456321
8037,C19 H34 N2 O13 S4,C19 H34 N2 O13 S4 Esi+12.726014,626.0942,12.726014,0.044614013,0.016711678,0.233700713,0.033088093,0.186270936,0.045660722,0.141045087,0.05493308,0.045727497,0.065915179,0.059222182,0.032346399,0.061384429,0.050773658
8038,C21 H44 N2 O2,C21 H44 N2 O2,356.34,11.936017,0.816743999,0.79923037,0.585258323,0.696469268,0.704741693,0.676899373,0.728654723,-0.387813827,-0.40983346,-0.36154479,-0.382032749,-0.382403209,-0.40262491,-0.378264575
8039,C37 H67 N O12,Erythromycin B,734.4912,9.930016,1.165860813,1.114978666,1.239648051,1.251384037,1.086011177,1.043203698,1.159513136,-1.003671183,-0.977520178,-1.034868874,-0.989736289,-1.035491716,-0.794910566,-1.138266844
8040,C21 H38 N2 O2,C21 H38 N2 O2,350.2932,11.081032,0.446789814,0.551179384,0.130740607,0.626874125,0.208064657,0.644815569,0.293634312,-0.27118668,-0.3762922,-0.145797639,-0.343622282,-0.1803052,-0.381586927,-0.200007574
8041,C32 H56 O5,C32 H56 O5 Esi+13.816972,520.412,13.816972,0.952065505,0.924156975,0.736313643,0.928460876,0.797304168,0.911107678,0.8119962,-0.649277163,-0.72051462,-0.564292126,-0.639136312,-0.676203024,-0.755346657,-0.580890252
8042,C33 H56 O6,cholesteryl beta-D-glucoside Esi+14.545965,548.4057,14.545965,0.0188903,0.223643766,0.341231531,0.130254205,0.069551332,0.075887048,0.027274991,0.141601547,-0.167933793,0.510871777,0.270322567,-0.046693648,0.199900647,0.104013969
8043,C23 H36 O8,3''-HydroxyPravastatin Esi+12.756024,462.2235,12.756024,2.001466822,1.76215394,2.242693005,1.952775358,2.092368115,1.916411671,2.067144616,1.367374017,1.259077738,1.496569578,1.324240182,1.429757799,1.296709596,1.412933973
8044,C17 H29 N O4,C17 H29 N O4 Esi+7.786989,311.2092,7.786989,0.305310362,0.348731459,0.222890656,0.271508973,0.400049943,0.208144658,0.380453487,0.191049917,0.311461278,0.047401276,0.225287795,0.137336973,0.197723373,0.186747294
8045,C17 H45 Cl2 N12 O P S,C17 H45 Cl2 N12 O P S,566.2675,6.416008,1.108486649,1.156508296,0.94539222,1.128482523,0.950091361,1.204467233,1.037352621,0.947017351,1.035685051,0.84123834,1.002907718,0.838034895,1.124622712,0.832508631
8046,C29 H46 N O4,Cervonyl carnitine Esi+8.782984,471.3369,8.782984,0.551986226,0.672999632,0.312308223,0.561777602,0.415936617,0.598721038,0.444912946,0.865305902,0.983584907,0.724201123,0.784398639,0.936643878,0.922276134,0.828575094
8047,C30 H46 O5,Lucyin A Esi+14.591013,486.3328,14.591013,0.818858645,0.868425481,0.564836181,0.727209855,0.770912202,0.539807629,0.825495875,-0.34819369,-0.417828476,-0.265120612,-0.233652974,-0.51953857,-0.203853106,-0.441255382
8048,C28 H52 O5,C28 H52 O5 Esi+14.868961,468.38,14.868961,1.073272729,1.269050139,0.737479652,0.995811799,1.025804154,1.148270467,0.93965582,-1.071446266,-1.39111331,-0.69008909,-1.024879569,-1.154877541,-1.252935685,-0.95443335
8049,C37 H59 N O9,Pavoninin 1,683.4084,8.38401,0.018782935,0.259280269,0.43781953,0.180761124,0.41368213,0.336279118,0.330035757,-0.009782643,-0.110746278,0.110665203,-0.11769345,0.145732159,-0.16556836,0.090658149
8050,C30 H53 N3 O6,Aliskiren Esi+15.728024,568.4095,15.728024,0.972383855,0.978549971,0.899971763,1.004571502,0.842343348,0.934808959,0.933953135,-0.61675545,-0.684992705,-0.535349601,-0.653236619,-0.572924477,-0.606238009,-0.623536431
8051,C42 H75 N14 O10 P,C42 H75 N14 O10 P,966.5523,14.137958,0.650072416,0.633290491,0.733665157,0.739535042,0.603854326,0.801954411,0.619131398,0.538668434,0.52302781,0.557327424,0.559942531,0.474148459,0.607793285,0.494101096
8052,C16 H22 N4 O3,Eseramine Esi+5.531005,340.1497,5.531005,0.294439904,0.296265999,0.278411714,0.354067797,0.236594685,0.374681554,0.201781593,0.123385675,0.139345155,0.104346296,0.170226901,0.08436052,0.169065897,0.093933954
8053,C32 H44 O14,Crocin 3,674.2527,14.367976,1.32593482,1.242281864,1.762255637,1.591066429,1.448526313,1.470077574,1.502375487,0.676847907,0.590876206,0.779410638,0.643746285,0.729756843,0.56824185,0.746870233
8054,C39 H70 N4 O3,C39 H70 N4 O3,642.5438,9.784021,0.542273253,0.645343744,0.276924701,0.409085274,0.598805296,0.379961477,0.558943368,-0.375013256,-0.447001022,-0.289133115,-0.360650652,-0.431269534,-0.339467174,-0.397931125
8055,C12 H22 O5,Dibutyl malate Esi+7.2239995 :1,246.1471,7.2239995,0.663837232,0.464577969,0.778539632,0.57308563,0.690716923,0.50431786,0.727859535,0.357370657,0.288575597,0.439441956,0.338100623,0.378156642,0.296246785,0.396779469
8056,C53 H86 N O6 P S,C53 H86 N O6 P S,895.5977,14.093014,1.059990301,1.12537033,0.709893591,0.794749283,1.172639189,0.671918224,1.162906425,-0.920798508,-1.160008162,-0.635425588,-0.635104584,-1.349432225,-0.615288364,-1.117772153
8057,C20 H34 O6,"15(R),19(R)-hydroxy PGF2? Esi+13.201979",387.2618,13.201979,1.277822583,0.910162651,1.635042639,1.209993143,1.335839535,1.137248017,1.336904717,1.046894867,0.768375055,1.379164117,0.970180319,1.166051957,0.900281374,1.141421988
8058,C32 H40 N4,Borreverine Esi+10.530024,497.3561,10.530024,0.693135007,0.595627553,0.840663601,0.717911536,0.66746912,0.609093167,0.72127963,-0.436302463,-0.356787532,-0.531162381,-0.397095657,-0.515898353,-0.31082394,-0.51720309
8059,<none>,<none> Esi+10.961006,556.8428,10.961006,0.35271834,0.664324512,0.364154211,0.355686729,0.175422741,0.383503735,0.231360117,-0.128165726,-0.311760191,0.090859251,-0.144494758,-0.100531407,-0.190540343,-0.087950512
8060,C15 H20 N2 O,Tsukushinamine A,243.1459,0.87300086,0.051027717,0.04016483,0.249764351,0.403191876,0.222814079,0.482885857,0.191555943,-0.020626975,0.128099643,-0.198055221,-0.145258077,0.122598827,-0.182474607,0.083722157
8061,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+9.892001",356.2183,9.892001,0.106232115,0.181367286,0.03797216,0.232151839,0.024745652,0.123166173,0.063032552,-0.015635698,-0.107776786,0.094287004,-0.086867464,0.04698834,-0.008641186,-0.020145317
8062,C11 H22 N2 O8,Mannopine Esi+6.1400123,310.1389,6.1400123,0.509818049,0.454406617,0.403031193,0.30298615,0.552182302,0.462244496,0.454025517,0.258829311,0.276327676,0.237954069,0.234008049,0.269778935,0.319473516,0.219729759
8063,C45 H74 N6 O14,C45 H74 N6 O14 Esi+14.083986,920.5107,14.083986,0.970295039,0.899751028,0.870172406,0.933337996,0.873988881,0.709909341,0.997924933,-0.793591399,-0.846898448,-0.729997024,-0.698308858,-0.950669917,-0.633918727,-0.896538253
8064,C18 H32 O3,12(13)-EpOME Esi+15.281986 :1,296.2344,15.281986,1.456796921,1.579040203,1.195949919,1.481884068,1.335169957,1.533801684,1.345509385,-1.706987367,-2.080090538,-1.261881829,-1.721551033,-1.688692716,-1.89793181,-1.583878449
8065,C22 H41 O5 P,Oleoyl 3-carbacyclic Phosphatidic Acid,433.2971,9.605982,0.36476287,0.254092864,0.43378637,0.35235507,0.352677496,0.191106913,0.421238152,-0.172759445,-0.110732157,-0.246756912,-0.104433991,-0.308397613,-0.024720592,-0.268205548
8066,C22 H N2 O18 P,C22 H N2 O18 P Esi+11.281005,611.8967,11.281005,1.268199883,1.65477148,1.083305857,1.562735125,1.150444595,1.642493999,1.214413192,0.904972745,1.06080304,0.719069936,0.990394323,0.753165546,1.056260434,0.807431997
8067,C14 H18 N7 O,C14 H18 N7 O Esi+5.380991,300.1575,5.380991,0.240177063,0.093006471,0.342264486,0.08725109,0.427515844,0.150738039,0.251469164,-0.143365409,-0.03129693,-0.277061138,0.038428382,-0.418150633,-0.08495364,-0.181025629
8068,C20 H32 O3,"5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S Esi+12.646978",320.2335,12.646978,0.063198577,0.156425502,0.330636842,0.108092601,0.273879777,0.012644813,0.031834188,-0.021110917,-0.206245615,0.199751529,-0.201498729,0.247415835,-0.039785506,-0.009070722
8069,C44 H61 N15 O3,C44 H61 N15 O3,847.5151,12.974045,0.065908775,0.364636224,0.751406764,0.106972597,0.192604685,0.124198551,0.05502745,0.043711188,-0.107220971,0.223770606,0.020420765,0.071482505,-0.018553537,0.08385555
8070,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+12.269026",431.2521,12.269026,1.389370721,0.966136494,1.826777109,1.20331836,1.65926016,1.122467592,1.543309063,0.914948299,0.613121789,1.27502203,0.73971402,1.180674262,0.664354664,1.076515248
8071,C11 H18 N2 O2,"L,L-Cyclo(leucylprolyl) Esi+5.1710095",210.1354,5.1710095,0.446237552,0.589715906,0.113710145,0.38997616,0.383686439,0.375623183,0.372098203,-0.520445829,-0.655765849,-0.359011421,-0.42466688,-0.636467679,-0.424049432,-0.582596138
8072,C10 H14 O4,C10 H14 O4 Esi+4.930003,198.1101,4.930003,0.880926298,0.901909054,0.692558964,0.97749467,0.861070938,1.222737577,0.589699055,-0.428650294,-0.522149315,-0.317107601,-0.421421433,-0.430859539,-0.615951747,-0.307890146
8073,C34 H55 N O3,ICI 164384 Esi+14.01198,525.4218,14.01198,0.844646111,0.833314222,0.600146349,0.502412274,1.08078124,0.632249309,0.897821188,-1.093411617,-1.277929604,-0.873284896,-0.871104926,-1.437337671,-0.99392022,-1.157557385
8074,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.074967,488.3472,15.074967,1.005964526,1.04283631,0.790138038,0.98596645,0.909829899,0.917276948,0.913688406,-0.506171028,-0.639354573,-0.347285397,-0.470772826,-0.579041412,-0.440340203,-0.548614587
8075,C14 H24 O3,L-Menthyl acetoacetate Esi+11.003997,257.1989,11.003997,1.169691476,1.356929263,0.922072491,1.31609285,1.077221009,1.338606124,1.086490539,-0.634532243,-0.767682827,-0.475685933,-0.684646473,-0.564884373,-0.681167872,-0.604464535
8076,C34 H56 N2 O2 S,C34 H56 N2 O2 S Esi+13.96601,556.4065,13.96601,0.230277686,0.254743377,0.120692708,0.376086006,0.038381724,0.067452604,0.23499696,-0.087672342,-0.060342275,-0.120276632,-0.072125478,-0.127817529,0.096231286,-0.206241786
8077,C22 H4 O21 P,C22 H4 O21 P,634.8997,9.24598,0.441715661,0.658998722,0.082793968,0.150926412,0.6498873,0.355216578,0.438313048,0.250044537,0.449479619,0.012121983,0.091065864,0.452934158,0.274986383,0.23396361
8078,C32 H67 N5 O3 S3,C32 H67 N5 O3 S3,665.4362,11.590017,0.408472692,0.334130858,0.543197466,0.380945519,0.419906394,0.501541511,0.379102085,0.257478431,0.253213412,0.262566524,0.288624735,0.185872421,0.344074092,0.201647018
8079,C7 H11 N O,2-Ethyl-5-imino-1-cyclopenten-1-ol Esi+3.5079966,125.0834,3.5079966,0.747075448,0.612082953,0.724803073,0.611111632,0.811666144,0.531533985,0.753743705,0.45591088,0.522331929,0.376671734,0.435353873,0.495537981,0.456078095,0.45580307
8080,C20 H32,gamma-Pinacene Esi+11.471994,289.2764,11.471994,1.17144766,1.114654776,1.11865113,1.113557821,1.201711737,0.983254323,1.253777357,-0.917418736,-1.002607374,-0.815790187,-0.913147856,-0.950532912,-0.885025035,-0.938304149
8081,C20 H26 N2 O4 S2,Melithiazol A,422.1353,10.711999,1.30173796,1.251089163,1.405091172,1.286910559,1.435670093,1.396954021,1.31098341,1.686379243,1.426532247,1.996372151,1.534213724,1.911990675,1.5150555,1.796837973
8082,C27 H44 O6,22-iso-ecdysone,486.295,12.936019,0.967755353,0.653299948,1.341859471,0.907724296,1.065387785,0.733885679,1.130678272,0.916540328,0.598295763,1.29620051,0.820264774,1.065922467,0.657462178,1.083577556
8083,C41 H64 O12,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside Esi+13.854003,748.4386,13.854003,0.168868223,0.227346646,0.038872959,0.082477185,0.301617323,0.153007798,0.342071588,-0.0107612,-0.074639726,0.06544476,0.070427495,-0.135091485,0.15280931,-0.116221134
8084,C31 H54 N12 O23,C31 H54 N12 O23,962.3421,7.1190114,0.155140093,0.159513105,0.156617814,0.131382332,0.271848191,0.076201143,0.225023177,-0.077380337,-0.052537963,-0.107016854,-0.017790762,-0.190399186,-0.000112359,-0.12719785
8085,C36 H12 N5 O17,C36 H12 N5 O17,786.0223,13.488023,1.422163062,1.320860976,1.620453975,1.430495722,1.437853607,1.498937777,1.420123928,0.63386597,0.634612675,0.632975164,0.636247399,0.613347727,0.670349079,0.610343966
8086,C59 H88 O6,"TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] Esi+14.106989",914.6308,14.106989,1.363844808,1.429666351,1.200075259,1.440073878,1.184343436,1.389593624,1.295238353,-0.804837149,-0.883160928,-0.711398254,-0.820472718,-0.787873839,-0.755710107,-0.836511163
8087,C15 H22 O,Muurolladie-3-One,218.1669,8.444979,1.561270617,1.759246729,1.481296898,1.581776261,1.692790026,1.829686982,1.480779801,-0.961660957,-1.024904043,-0.886213065,-1.011739571,-0.890740486,-1.106110203,-0.868529207
8088,C12 H12 N4,MeIQ Esi+4.9940085,212.105,4.9940085,1.080161178,1.157579637,1.086337005,1.1877902,1.213824596,1.312999063,1.080848172,-0.624702982,-0.766346504,-0.455724744,-0.682291624,-0.521323057,-0.705325155,-0.572722896
8089,C34 H58 O9,"(25R)-5alpha-spirostan-3beta,6alpha-diol 6-O-beta-D-glucopyranoside Esi+9.173986",610.4079,9.173986,0.4780692,0.555585362,0.259723877,0.730433097,0.101950721,0.736321153,0.249571239,-0.541759313,-0.612508891,-0.457356308,-0.720988929,-0.30344915,-0.701750992,-0.438606783
8090,C40 H68 Cl N O3 P S5,C40 H68 Cl N O3 P S5,836.3228,7.2249846,1.303300829,1.311641097,1.244901942,1.311487566,1.263948529,1.344456159,1.259969874,0.95935821,0.974088462,0.941785278,1.013078826,0.874723789,1.011683864,0.925621934
8091,C46 H82 N O10 P,"PS(18:0/22:4(7Z,10Z,13Z,16Z)) Esi+13.615981",856.5908,13.615981,0.629625111,0.706946392,0.302496347,0.695107009,0.346890688,0.48479429,0.548063348,-0.238834024,-0.324526685,-0.136604183,-0.224148573,-0.277384628,-0.167629834,-0.284741989
8092,C28 H46 O6,Polyporusterone A Esi+10.645997,500.3102,10.645997,0.760399702,0.649054806,0.805521446,0.515197085,0.922829681,0.587641332,0.793980148,-0.53146892,-0.470788454,-0.603859652,-0.32271684,-0.79780195,-0.440225597,-0.590296852
8093,C14 H18 N7,C14 H18 N7,282.1594,0.8800013,0.884130016,0.858763047,1.059269265,0.589412961,1.364432879,0.675953959,1.184487198,0.648168433,0.583701439,0.725076426,0.501377643,0.837024219,0.51115673,0.736504926
8094,C29 H48 N3 O8,C29 H48 N3 O8 Esi+13.164004,566.3349,13.164004,1.351315781,1.260907485,1.126744346,1.214529593,1.212043021,1.069607203,1.339176691,-1.018487298,-1.047718938,-0.983614465,-0.892415528,-1.181560735,-0.901078239,-1.094185244
8095,C25 H52 N O6 P,PE(P-20:0/0:0) Esi+7.715977,515.3292,7.715977,0.8760458,0.988041115,0.510622793,0.768534307,0.804474855,0.753256401,0.900179699,-1.16226906,-1.356739418,-0.930269334,-1.006827902,-1.3082462,-1.16280127,-1.161925924
8096,C11 H22 N2 O8,Mannopine Esi+7.689974 :2,310.1378,7.689974,1.010438851,0.921789174,1.206924034,0.743709625,1.28920232,1.099843657,1.026374488,-0.475325824,-0.479119326,-0.470800244,-0.444967649,-0.506162116,-0.573904118,-0.411768767
8097,C40 H56 O,"delta-Carotene-1,2-epoxide",551.4154,14.894028,1.803498607,2.009570629,1.499692547,1.858167358,1.753994324,1.840492108,1.800572911,-0.980418888,-1.139045479,-0.791180148,-0.949469656,-1.03608497,-1.004950122,-0.964602697
8098,C23 H34 O S,C23 H34 O S Esi+9.509012,358.2205,9.509012,0.362426829,0.319639458,0.335231061,0.266783838,0.439720439,0.443304994,0.271074002,-0.35864458,-0.316789032,-0.408577514,-0.298030814,-0.473552383,-0.362630763,-0.356074541
8099,C21 H2 N2 O21,C21 H2 N2 O21 Esi+13.297044 :2,617.9149,13.297044,1.411871979,1.416203422,1.407066481,1.335840181,1.449981582,1.398337131,1.44418478,0.77502183,0.800489178,0.744639732,0.78481375,0.747766344,0.804025371,0.756322179
8100,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+4.4619894",298.1402,4.4619894,0.974472034,1.143518582,0.686471838,0.790604883,1.095242467,1.077517963,0.880403279,-1.155399286,-1.365697577,-0.904517114,-1.01847943,-1.300832637,-1.305146439,-1.058851779
8101,C27 H55 N8 O3 P,C27 H55 N8 O3 P Esi+16.520016,570.4149,16.520016,1.105418336,1.181923365,1.124565915,1.147545256,1.376789023,1.156896142,1.08995624,-0.815565009,-0.909859364,-0.703073498,-0.677439448,-0.971975355,-0.726492406,-0.872993398
8102,C10 H9 N,1-Naphthylamine Esi+3.7899928,143.0733,3.7899928,1.126701649,1.243796464,0.623652056,1.088564282,1.033757405,1.052028448,1.10500328,0.708973396,0.978834076,0.38703434,0.753462323,0.666308092,0.770448778,0.669337953
8103,C18 H34 O6,Sorbitan laurate Esi+8.982022,346.2206,8.982022,0.069404305,0.194968789,0.061980248,0.051355828,0.12228711,0.390513953,0.069097659,0.186957467,0.341601183,0.002470226,0.183211565,0.159492021,0.409891512,0.043223674
8104,C26 H14 N8 O7 S,Telomestatin,582.0772,13.933036,0.657567849,0.546306277,0.798675873,0.564231526,0.782251598,0.709796309,0.64350514,0.33115207,0.315524872,0.349795042,0.328520124,0.320737178,0.390122109,0.293131912
8105,C19 H29 N O4,Ankorine,335.2063,7.6030183,0.406719005,0.275987639,0.533500949,0.318178496,0.520733746,0.30739425,0.460483928,0.296592864,0.273538701,0.324096075,0.294708725,0.298348104,0.27490467,0.310576041
8106,C20 H32 O8,Cincassiol B Esi+11.589021,400.2089,11.589021,1.655363004,1.334412613,2.101274764,1.687745608,1.704384807,1.683365164,1.701184802,1.598137074,1.26386277,1.996920454,1.55775868,1.653312,1.548160432,1.630358856
8107,C21 H30 O5,"1?,17?,21-trihydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3 / 1?,17?,21-trihydroxy-20-oxo-22,23,24,25,26,27-hexanorcholecalciferol",384.1887,9.823986,2.558315138,2.436164408,2.665711879,2.572862002,2.640253368,2.437666925,2.639101914,3.676591421,3.403737336,4.002101557,3.404012399,4.048618869,3.322274923,3.905032321
8108,C43 H72 N3 O11 S,C43 H72 N3 O11 S,838.4845,14.452953,0.641081114,0.576454175,0.680815965,0.630178979,0.603580802,0.704940088,0.627133172,0.431551281,0.40935044,0.458036495,0.442515902,0.396585512,0.46826857,0.407878292
8109,C11 H21 N O,Tecostanine,183.1618,9.00402,0.697157983,0.825078852,0.510127506,0.774153275,0.536159881,0.813487034,0.583448523,-0.30960884,-0.352674448,-0.258232324,-0.364276531,-0.24004942,-0.357678598,-0.278616496
8110,C22 H40 N2 O4,N-oleoyl asparagine Esi+9.735999,395.2874,9.735999,0.926289357,0.869049645,0.910149037,0.830712329,0.941153307,0.85625441,0.91394514,-0.559779331,-0.534074347,-0.590444925,-0.491761122,-0.679047784,-0.466675164,-0.619807017
8111,C14 H29 N4 O P S,C14 H29 N4 O P S,332.1862,8.751985,0.664514022,0.416785929,0.837041248,0.599353772,0.588899995,0.758270103,0.537935235,0.446877089,0.318885327,0.599569016,0.419503064,0.461037089,0.531042536,0.392612525
8112,C37 H71 O9 P,PG(P-16:0/15:1(9Z)),690.489,15.429988,0.738314623,0.714822239,0.764005115,0.767992988,0.699688059,0.7394617,0.762768847,0.541374594,0.551845258,0.528883276,0.562614891,0.49923902,0.564892663,0.526211628
8113,C41 H60 O9,Lasonolide A Esi+8.063989,696.4263,8.063989,0.306842841,0.195416175,0.428115271,0.295196535,0.171160851,0.372044573,0.218618443,-0.138890847,-0.05144657,-0.243210336,-0.146391748,-0.141579656,-0.119633581,-0.151306716
8114,C28 H46 O4,Secasterone Esi+15.083007,446.3385,15.083007,1.241816025,1.34345519,0.858635417,1.211204798,1.171247823,1.283365955,1.131098652,-0.666942713,-0.874667083,-0.419131183,-0.633235173,-0.713900024,-0.731522822,-0.625305537
8115,C26 H51 D4 N O7 P,PAF C-16-d4,545.4233,14.985038,0.64715679,0.497240426,0.742071353,0.55414583,0.656998213,0.562814678,0.63833033,0.388559793,0.321405495,0.468673692,0.401324318,0.384264878,0.397434942,0.382837657
8116,C46 H89 N O11 S,C22 Sulfatide Esi+13.89301,863.6019,13.89301,0.538645724,0.526999191,0.411212824,0.465530197,0.461849974,0.170959577,0.665065586,-0.711432962,-0.705832424,-0.718114306,-0.651324336,-0.834917162,-0.33577645,-0.953632556
8117,C47 H80 O5,"DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) Esi+15.683045",741.6293,15.683045,2.005537941,2.08939215,1.755964136,2.059233248,1.912285078,1.968755306,1.971922653,-1.717538645,-1.865902377,-1.540543316,-1.634377096,-1.833536586,-1.572723309,-1.810906428
8118,C15 H24 N6 O5,C15 H24 N6 O5 Esi+9.14698,368.1909,9.14698,1.662587324,1.490028636,1.738417084,1.448164469,1.732669767,1.363896092,1.758633212,1.378329435,1.266973863,1.511174678,1.274034879,1.522880005,1.21752597,1.482005352
8119,C11 H18 N2 O7,N-Succinyl-L-diaminopimelic acid Esi+5.5140033,290.1135,5.5140033,0.268919664,0.225198458,0.422130587,0.235434142,0.290104117,0.160613344,0.334021108,0.087326658,0.093736086,0.079680321,0.122997657,0.038839044,0.090763523,0.085110784
8120,C31 H32 N13 O,C31 H32 N13 O,602.2856,12.117987,0.475251277,0.649547335,0.068449509,0.708207042,0.025350357,0.377371632,0.46346735,-0.13994552,-0.236689471,-0.024531684,-0.254624488,0.011938327,-0.144128875,-0.137248357
8121,C19 H23 Cl O4,Chloromarmin,350.1325,7.80799,0.061257451,0.188170955,0.163867102,0.15863702,0.26838179,0.111848625,0.080889516,-0.006008305,-0.068497327,0.068540002,0.097705109,-0.169589683,0.117006865,-0.085320717
8122,C20 H34 O8,Acetyl tributyl citrate Esi+9.875,419.2516,9.875,1.015033224,0.964350457,0.909834993,1.118802798,0.765699046,0.974630776,0.91184588,-0.814368786,-0.846299893,-0.776275536,-0.839884523,-0.788400561,-0.851521454,-0.790415093
8123,C26 H34 O7,Hydroxystrobilurin D Esi+13.13898 :1,480.2129,13.13898,1.360608302,1.005577207,1.637637985,1.155131248,1.523971317,1.156500593,1.440487755,1.069102302,0.869018335,1.307798964,0.904569404,1.326007627,0.885120796,1.187721957
8124,C20 H34 O6,"15(R),19(R)-hydroxy PGF2? Esi+10.447999",370.2348,10.447999,0.810043643,0.856997718,0.654499442,1.003816617,0.509074223,1.013154248,0.569734986,1.025368046,1.058225199,0.986170039,1.242308376,0.708863472,1.283192461,0.859139146
8125,C24 H52 N22 P,C24 H52 N22 P,679.4565,12.579026,0.240515708,0.140298396,0.413431739,0.146064544,0.329902501,0.269863776,0.273393678,0.214656692,0.162111869,0.277341745,0.194276411,0.229888591,0.252519259,0.1902453
8126,C14 O19 P S4,C14 O19 P S4,630.7648,13.053971,0.228394262,0.252183769,0.028583513,0.259305615,0.005169709,0.181452652,0.157551446,-0.030917109,-0.062941492,0.007287418,-0.042814082,-0.025692994,-0.050139123,-0.018523968
8127,C31 H62 N19 P,C31 H62 N19 P,731.5172,14.431956,0.377733966,0.567792953,0.034604993,0.499713878,0.133004693,0.437096111,0.232823261,-0.274185434,-0.403246501,-0.120217844,-0.333795854,-0.202687994,-0.290334826,-0.263773325
8128,C24 H38 N8 O2 P,C24 H38 N8 O2 P,501.2879,11.849032,1.352953944,0.948896495,1.982849151,1.486911487,1.399156516,1.220557944,1.553899414,0.887368,0.566505917,1.270150835,0.90242684,0.921360808,0.714126016,0.999063489
8129,C14 H20 N6 O5,C14 H20 N6 O5 Esi+5.3730035 :1,352.1674,5.3730035,0.048438322,0.088285019,0.107103028,0.131027531,0.202199233,0.054368757,0.031649093,0.015361752,0.071798671,-0.051966501,0.112806075,-0.12987389,0.085693653,-0.029983815
8130,C16 H24 N6 O7,Gln Glu His Esi+8.073982,412.1763,8.073982,1.289779591,1.19802223,1.346014514,1.139377844,1.396935345,1.161945917,1.332082416,1.174001924,1.121385239,1.236772705,1.049281517,1.330407208,1.09370123,1.225774739
8131,C15 H35 N2 O6 P,C15 H35 N2 O6 P,370.2327,9.816014,1.030642607,0.784677134,1.071425669,0.721325721,1.179130912,0.609844797,1.1722504,1.343820417,1.173383928,1.547148158,1.004537997,1.808716784,0.976576725,1.580595956
8132,C53 H52 N12 O2 P,C53 H52 N12 O2 P,919.4065,15.218995,0.171751314,0.094971587,0.159421204,0.020092178,0.262457541,0.196706543,0.302003842,-0.033575585,0.035934555,-0.116499962,0.026432074,-0.155495803,0.124433269,-0.135449714
8133,C23 H40 O7,1(3)-glyceryl-PGF2? Esi+11.777012,428.2772,11.777012,1.01054055,0.873971191,0.974399784,1.044486101,0.715281565,1.128223554,0.806011622,0.891569524,0.851464021,0.939414684,0.979557678,0.751517253,1.118067622,0.745537855
8134,C21 H43 N8 O,C21 H43 N8 O,423.3553,14.032973,1.043646696,1.120648789,0.655378589,0.967976367,0.946962991,1.097780372,0.898039949,-0.499533026,-0.62677754,-0.347732553,-0.456909617,-0.559403387,-0.529636926,-0.480123933
8135,C23 H34 N7 O3,C23 H34 N7 O3 Esi+13.770997,456.273,13.770997,1.413954038,1.233013495,1.885492607,1.409904714,1.810328923,1.446022111,1.644769993,2.795276677,2.154306101,3.559943328,2.360109555,3.451322153,1.88646568,3.381220609
8136,C28 H40 N2 O2,Termitomycamide B,453.3303,9.630993,0.37239723,0.282605376,0.480303182,0.167698563,0.579084164,0.399306813,0.383136483,0.353384697,0.329286313,0.382133646,0.231742539,0.488957376,0.425173528,0.307099793
8137,C34 H36 N2 O3 S5,C34 H36 N2 O3 S5,680.1334,13.21198,0.699646362,0.645243471,0.550496016,0.697573345,0.413331065,0.548577124,0.638342243,-0.249528012,-0.268125577,-0.227341442,-0.276666808,-0.217767123,-0.262331642,-0.241273039
8138,C27 H50 O5,C27 H50 O5 Esi+14.705023,454.3642,14.705023,1.001812037,1.195856218,0.65663365,1.026534372,0.902597052,0.820650597,1.015965668,-0.59118987,-0.727743819,-0.428283404,-0.513340606,-0.715774967,-0.393864543,-0.718412778
8139,C35 H54 O12,Coroloside Esi+12.760988,666.3598,12.760988,0.351383665,0.421646665,0.133961034,0.222504122,0.512356105,0.253728836,0.396859918,-0.360740868,-0.565209004,-0.116813969,-0.189406199,-0.620961626,-0.316100862,-0.389521924
8140,C34 H59 N O12,C34 H59 N O12 Esi+14.166014,673.4044,14.166014,1.244172438,1.467794179,0.841715227,1.375493326,1.03656152,1.369316995,1.096953216,-1.143582968,-1.504103177,-0.713488684,-1.215671644,-1.000497046,-1.262594463,-1.066851872
8141,C32 H2 O13 P,C32 H2 O13 P Esi+13.675031,624.9227,13.675031,1.676939147,1.725961915,1.815610913,1.756953419,1.753171997,1.80390871,1.743973632,0.909271068,0.929075537,0.885644685,0.941726983,0.860846494,0.948673019,0.883867179
8142,C23 H42 O4,Lepidiumterpenyl ester,382.3055,15.364013,1.049460594,1.053460151,0.892580183,1.082093966,0.875527618,1.107054943,0.947460651,0.666904983,0.72825012,0.593721309,0.675803898,0.640497507,0.738391623,0.620814912
8143,C45 H81 O13 P,"PI(18:0/18:3(9Z,12Z,15Z))",882.5137,14.160961,1.081054158,0.908101897,1.138640472,1.025986007,1.053893338,0.876002457,1.125489236,0.578031116,0.518607776,0.648922119,0.556014535,0.609336697,0.493963682,0.632232488
8144,C14 H19 N4 O,1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium Esi+5.1639886,258.1455,5.1639886,0.545538035,0.521799704,0.43778635,0.592002853,0.328976254,0.676122566,0.391976144,0.470736972,0.417115678,0.534706234,0.473598431,0.443832982,0.564867715,0.410047413
8145,C36 H66 O12,Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside Esi+9.977026,690.4642,9.977026,0.487700971,0.449513547,0.446602847,0.611826471,0.276204392,0.346396142,0.488682501,-0.328846058,-0.31892604,-0.340680467,-0.369747346,-0.253756646,-0.205090379,-0.408635905
8146,C12 H18 O7,Dikegulac Esi+3.8959963,274.1034,3.8959963,0.608525042,0.474946929,0.78726008,0.873242841,0.340184844,1.0170901,0.317317062,0.353934881,0.321921205,0.392126634,0.462617643,0.201235157,0.528858641,0.241155088
8147,C25 H49 O7 P,PA(22:1(11Z)/0:0) Esi+15.115979,492.3192,15.115979,0.62805935,0.684392171,0.369946538,0.405538654,0.697670431,0.279730143,0.678375201,-0.187595411,-0.275832074,-0.082330621,-0.12508519,-0.277244945,-0.120807212,-0.230656224
8148,<none>,<none> Esi+13.085996 :1,539.6943,13.085996,1.885748201,1.888393542,1.964153831,1.879645912,2.017224475,1.931201966,1.948595711,1.035217344,1.063450431,1.001535767,1.035873064,1.018457722,1.045558188,1.028550221
8149,C24 H24 O2,"6,9,12,15,18,21-Tetracosahexaynoic acid Esi+5.6529984",344.1806,5.6529984,0.06810532,0.150179599,0.121596094,0.069626437,0.128299077,0.042467773,0.015377115,0.015766426,0.13624308,-0.127960107,0.143115502,-0.198693333,0.083752809,-0.028066899
8150,C38 H71 O8 P,"PA(17:2(9Z,12Z)/18:0)",685.4752,15.371027,0.285665972,0.438300853,0.11464107,0.396913408,0.188134379,0.02815146,0.49079968,-0.106749635,-0.202721045,0.007742573,-0.103457471,-0.102079137,0.080374538,-0.227395484
8151,C34 H50 O12,Thapsigargin Esi+13.834976,650.3309,13.834976,1.109074886,0.955438324,1.212693243,1.145184693,1.004131229,1.115824535,1.081920661,1.100613382,0.97146713,1.254682595,1.152246818,1.015395475,1.117672319,1.089614857
8152,C17 H35 N5 O4 S,Lys Met Lys Esi+6.427986,405.2403,6.427986,0.064314694,0.472924945,0.443043465,0.31065238,0.365919006,0.547433341,0.281010816,-0.010420697,0.216978377,-0.281703803,0.12619952,-0.22426414,0.25631094,-0.182392409
8153,C30 H48 O9,Lithocholate 3-O-glucuronide Esi+13.558986,552.3256,13.558986,2.146102951,2.122761487,2.017579336,2.048925477,2.226803829,2.141117927,2.147099055,2.464357002,2.483295268,2.441763982,2.354902957,2.599392475,2.338708508,2.545367215
8154,C20 H33 N3 O3,talinolol,385.2306,5.52001,1.066930881,0.889004102,1.298017847,0.995666054,1.153385976,0.829507272,1.201130767,-0.723410522,-0.574778845,-0.900725504,-0.621659848,-0.88351512,-0.50219057,-0.866039174
8155,C37 H51 N8 O4,C37 H51 N8 O4 Esi+13.077958,671.4064,13.077958,0.424432741,0.772477766,0.346974933,0.419000918,0.363037306,0.615307653,0.226457744,-0.116179131,-0.293553234,0.095425061,-0.093959133,-0.149486331,-0.207947568,-0.057012639
8156,C52 H93 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/21:0) Esi+8.331024",955.6287,8.331024,0.86173873,0.684019004,1.08599697,0.892875874,0.801068713,0.616396209,0.970936457,-0.408080541,-0.291286289,-0.547414034,-0.383871106,-0.457947414,-0.242923555,-0.514563335
8157,C12 H19 N5 O5,His Gly Thr,313.1418,5.118002,0.340389659,0.355814317,0.217141564,0.106651174,0.322976847,0.194281688,0.325492465,-0.221394191,-0.201660114,-0.244936599,-0.108288169,-0.322319567,-0.149977836,-0.267438947
8158,C15 H30 N6 O5,Ser Ile Arg,396.2109,11.578002,2.087495314,2.087700015,2.319226829,2.063976569,2.325921748,2.15061527,2.185530298,1.650720733,1.423288145,1.922043821,1.511982677,1.853295213,1.524448833,1.732132879
8159,C13 N O22 P,C13 N O22 P Esi+11.974038 :1,552.8653,11.974038,1.99406876,2.069568294,2.044280434,2.05758545,2.065951169,2.037821411,2.105898562,1.200286752,1.274252446,1.112046977,1.240485548,1.11895223,1.224870687,1.184436583
8160,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.623005,314.2087,9.623005,1.333581815,1.241364132,1.39457677,1.251029369,1.446823114,0.914381139,1.628257286,-1.635915338,-1.605495158,-1.67220608,-1.502160513,-1.802553388,-1.193312006,-1.921278013
8161,C25 H36 O8,Erinacine G Esi+14.576005,486.2239,14.576005,1.556473962,1.769637895,1.221856507,1.587890288,1.454182577,1.711149526,1.43577561,-1.331830102,-1.514849096,-1.113491653,-1.378007116,-1.254746601,-1.427404846,-1.270209544
8162,C8 H6 O,"xi-2,3-Octadiene-5,7-diyn-1-ol Esi+0.86300224",118.0414,0.86300224,0.059330929,0.418146877,0.68896196,0.332926859,0.268002132,0.457053266,0.316910483,-0.008851423,-0.209029619,0.229957653,-0.100253019,0.117224517,-0.185231431,0.104867266
8163,C41 H67 Cl N6 O2 P,C41 H67 Cl N6 O2 P,741.4757,13.933033,0.742039448,0.780063335,0.531921785,0.67515857,0.726019864,0.547400081,0.75690741,-0.37471484,-0.485098971,-0.243028508,-0.297027668,-0.493087235,-0.293227062,-0.427253012
8164,C33 H65 O7 P,PA(P-18:0/12:0),603.4321,14.606993,1.209791776,1.259269946,0.990491337,1.318762701,0.957518974,1.352571232,0.992161248,-0.676390157,-0.736758255,-0.604372074,-0.686831526,-0.650225582,-0.741497374,-0.634413135
8165,C17 H21 N3,Auramine,267.1755,4.8979974,0.40102473,0.124865661,0.805281293,0.465723148,0.42900328,0.451567754,0.401611607,-0.1991157,-0.046459507,-0.381231861,-0.187365318,-0.233012708,-0.1902944,-0.204803118
8166,C21 H48 N11 O2 S2,C21 H48 N11 O2 S2,550.3428,13.82398,1.13547206,1.268750956,0.628828046,0.980459936,1.032192153,1.170116544,0.98018421,-0.464070466,-0.64197742,-0.251830591,-0.43163646,-0.48276522,-0.54210121,-0.413761171
8167,C27 H37 F O2,"1?-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 1?-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol",412.2822,13.81201,0.27587648,0.10207272,0.820019627,0.382117804,0.290398179,0.192336935,0.395976165,0.202225986,-0.068487348,0.525182245,0.216923696,0.170562139,0.105139855,0.264820992
8168,C28 H38 N8 O4,Hordatine A Esi+7.0269847,550.2948,7.0269847,0.347537295,0.065480327,0.79444312,0.152601715,0.564565583,0.055081795,0.545926714,-0.204130071,0.033443143,-0.487550747,-0.090231205,-0.383011846,0.041636596,-0.362584896
8169,C17 H30 N2 O6,C17 H30 N2 O6,358.1918,8.944984,0.113701545,0.357503271,0.156709987,0.275342088,0.087147339,0.270945911,0.006857254,0.111072724,0.238402051,-0.040828929,0.191877731,-0.017067556,0.217442839,0.042491993
8170,C17 H23 N O2,1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one,273.1762,8.439971,0.850459647,0.792805243,0.788878846,0.724442807,0.930851695,0.965007613,0.751237982,0.625250612,0.651455683,0.593988422,0.564225599,0.683156879,0.695301959,0.580085928
8171,<none>,<none> Esi+11.125982,448.7534,11.125982,1.243145616,0.981050483,1.583102863,1.205186848,1.32586747,1.044488374,1.407190504,0.573688289,0.469733943,0.697704001,0.587703408,0.559298897,0.503638222,0.618852148
8172,C17 H25 N O3,Eucatropine,291.1808,8.493015,0.137889534,0.08593796,0.175947357,0.026501341,0.270865089,0.058854969,0.241904135,-0.175465748,-0.051528881,-0.323320255,-0.045599322,-0.393686493,0.089862707,-0.346532778
8173,C46 H77 N5 O11,C46 H77 N5 O11,875.5813,14.156986,0.719707318,0.782009478,0.473632271,0.772150144,0.543092542,0.523639871,0.740074273,-0.351604479,-0.435265246,-0.251798652,-0.317923007,-0.425126165,-0.247778505,-0.41854491
8174,C7 H13 O6 P,Cedrol Esi+5.144002 :1,224.0448,5.144002,0.839457966,0.554780417,1.190604059,0.526832279,1.087075242,0.614662168,0.923753399,0.560749823,0.412124476,0.738057255,0.475844131,0.66373877,0.469202789,0.619773568
8175,C21 H5 O24,C21 H5 O24 Esi+10.912017,640.9166,10.912017,0.678082658,0.753116711,0.593394872,0.640581575,0.633657961,0.842850322,0.602224175,0.385988894,0.4788685,0.275185152,0.419257064,0.318450383,0.546824401,0.282292316
8176,<none>,<none> Esi+11.541014,666.1167,11.541014,0.897307447,0.734428461,0.917486798,0.963738143,0.506933038,0.721733441,0.833838867,-0.350430791,-0.29142132,-0.420828055,-0.346248733,-0.366426194,-0.264524963,-0.405817444
8177,C10 H14 N2 O2,Laccarin Esi+3.494004,194.1085,3.494004,0.220021927,0.293739394,0.157596954,0.545036094,0.214433924,0.395160818,0.056000897,-0.201902083,-0.316873223,-0.06474353,-0.618504651,0.373006393,-0.515593897,0.000346587
8178,C24 H28 N3 O4 S5,C24 H28 N3 O4 S5,582.0681,12.908994,0.165577521,0.077027213,0.399564382,0.101750899,0.346964816,0.15505715,0.277651087,0.13401176,0.101222838,0.173128368,0.137862286,0.114245124,0.139941883,0.130188391
8179,C16 H24,(+)-Vulgraon B Esi+10.423988,233.2141,10.423988,1.393904059,1.355351479,1.355494034,1.280298788,1.501154455,1.316493717,1.452525647,-1.05751321,-1.119136209,-0.983998053,-1.028016493,-1.118566851,-1.018074314,-1.082940919
8180,C10 H16 O3,Ascariadole epoxide Esi+9.290017,184.1073,9.290017,0.212801484,0.318035121,0.159810057,0.275501633,0.22711177,0.143436142,0.236026466,-0.054468432,-0.141340988,0.049169004,-0.064522949,-0.056055129,-0.035726972,-0.066551741
8181,C23 H47 N5 O3 P,C23 H47 N5 O3 P,472.3432,7.697015,0.674404925,0.529021915,0.903067696,0.691833323,0.628513168,0.42906773,0.759953473,-0.324700016,-0.231724493,-0.435618184,-0.294263475,-0.388338342,-0.180977838,-0.417362999
8182,C35 H60 N4 O6 S,Prostaglandin F2?-biotin,664.4187,14.829034,0.397056933,0.345860563,0.377622966,0.566831865,0.240584998,0.306813178,0.412288875,-0.172082975,-0.146140434,-0.203031971,-0.200794354,-0.164885129,-0.126354422,-0.201565858
8183,C6 H6 O5,Zymonic acid Esi+0.8329972,158.0202,0.8329972,0.465945089,0.676362539,0.008823639,0.329332661,0.456761894,0.354103437,0.43015628,-0.304086076,-0.594248342,0.042072418,-0.279281917,-0.333149959,-0.3713985,-0.260687276
8184,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.066007,533.3088,9.066007,1.054339212,1.039925639,0.869136744,1.082773491,0.828093458,0.951260789,1.00735052,-0.649132581,-0.774100254,-0.50004834,-0.730290196,-0.539913012,-0.686383356,-0.625115634
8185,C16 H28 N6 O4,Pro Arg Pro Esi+8.699984,368.2157,8.699984,0.021474477,0.116491661,0.202419002,0.149430913,0.112278416,0.053167691,0.03040288,0.011440354,0.216958717,-0.233739447,0.174892954,-0.246128512,0.089844773,-0.039109864
8186,C22 H43 N O3,N-palmitoyl leucine,369.3241,12.988021,1.182201031,1.170646218,0.899962621,0.834351281,1.388639239,1.083752123,1.152877668,-0.658550523,-0.780636758,-0.512903788,-0.56105952,-0.792765631,-0.70463403,-0.628838789
8187,<none>,<none> Esi+8.447999,554.8448,8.447999,0.020465613,0.187269259,0.278377229,0.100333642,0.096641184,0.134888632,0.039473173,-0.002153222,0.088394013,-0.110174485,-0.035386014,0.038794203,-0.009785268,0.002767439
8188,C24 H36 O10,Plantaricin BN Esi+8.98703,484.2295,8.98703,1.369597148,1.373487215,1.337421263,1.332299514,1.393069402,1.537217636,1.270358024,1.849894801,1.786427381,1.92561032,1.841218829,1.819749255,2.018263882,1.741341052
8189,C48 H77 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",843.5628,11.019019,0.696234463,0.652174349,0.624128085,0.816425776,0.400214214,0.492961968,0.712170777,-0.299888703,-0.284336137,-0.318442641,-0.315819038,-0.301860588,-0.200368349,-0.364053142
8190,C27 H44 O6,22-iso-ecdysone Esi+14.642032,464.31,14.642032,0.603764556,0.685013684,0.376830297,0.697926169,0.44006872,0.409397068,0.603112725,-0.407087844,-0.53495233,-0.254547754,-0.412054881,-0.421683184,-0.278749206,-0.489832491
8191,C23 H25 N3 O6,Trp-Leu-OH,438.1697,10.729986,0.495883166,0.620041522,0.132113213,0.450923582,0.372786026,0.263310755,0.475459133,-0.351351481,-0.504910703,-0.168158022,-0.382653851,-0.338852098,-0.299595699,-0.38472034
8192,C24 H41 N8 O,C24 H41 N8 O,457.3413,14.337962,0.368195959,0.223345215,0.531817877,0.394646362,0.235503313,0.457027434,0.333672567,0.378826694,0.347436493,0.416274652,0.460652575,0.263421579,0.45750577,0.328099395
8193,C23 H47 O6 P,PA(P-20:0/0:0) Esi+8.682996,449.3086,8.682996,0.960584086,0.942305258,1.024027198,1.144292297,0.694472191,1.05843457,0.859532202,-0.551431826,-0.472354146,-0.64577011,-0.622123857,-0.463314462,-0.495585959,-0.587437714
8194,C22 H40 N2 O3,C22 H40 N2 O3 Esi+9.967016,380.3021,9.967016,0.631382237,0.571701922,0.547629317,0.515959844,0.667670032,0.452089181,0.653622063,-0.29937454,-0.305031157,-0.292626296,-0.267970821,-0.333870398,-0.263647,-0.322409401
8195,C36 H55 N28 P,C36 H55 N28 P,910.493,13.645015,0.702742062,0.507143781,0.901726284,0.781954059,0.600431018,0.780850654,0.614349681,0.508498227,0.390713028,0.649013902,0.580388983,0.390745269,0.557479842,0.476917975
8196,C45 H79 O12 P,"PI(P-16:0/20:4(5Z,8Z,11Z,14Z))",864.5213,14.374018,0.303596487,0.288114861,0.233088697,0.327511631,0.201046901,0.41523144,0.229688774,0.206442649,0.216518577,0.194422245,0.250791546,0.136021648,0.306169514,0.142145066
8197,C44 H75 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) Esi+13.56201",774.495,13.56201,0.87831673,0.603283799,1.238510522,0.895716566,0.838385315,0.716402082,0.972340483,0.791832304,0.554754724,1.074661699,0.809736133,0.759369291,0.641746009,0.888598469
8198,C45 H82 O15 P2,"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0]) Esi+11.118983",924.5056,11.118983,1.350451371,1.13524828,1.613546861,1.311488117,1.433567018,1.275184719,1.450556157,0.689164058,0.594096655,0.802577803,0.729840447,0.627143152,0.689525905,0.688930762
8199,C19 H30 N6 O5,Arg Phe Thr,422.228,10.100992,1.42225291,1.188956191,1.517865163,1.172191793,1.428449181,1.288588731,1.358087791,1.133825148,1.027388334,1.260802401,1.033485557,1.251479069,1.145992743,1.125980252
8200,C31 H67 N26 P,C31 H67 N26 P,833.5521,13.676021,0.626887508,0.637104966,0.323677616,0.59721563,0.319707862,0.41571506,0.556757496,-0.221827875,-0.282025053,-0.150013698,-0.19222312,-0.272871241,-0.152041382,-0.266821798
8201,C15 H24 O7,10-Hydroxy-8-nor-2-fenchanone glucoside Esi+8.108007,338.134,8.108007,0.518354556,0.624949339,0.313313999,0.609841521,0.293548415,0.798966029,0.303710151,-0.548477411,-0.611935774,-0.472772697,-0.660079026,-0.344376604,-0.697657602,-0.452295446
8202,C22 H40 N8 O5,Postin,496.3119,12.894027,1.843732067,1.942285096,1.673943042,1.776996347,1.943438025,1.725183274,1.946180023,1.639945481,1.766769747,1.488646357,1.57700965,1.703407965,1.586060262,1.674687267
8203,C35 H60 N2 O4,Pancuronium,571.442,12.923022,0.395613682,0.23144778,0.531138925,0.294375013,0.488331441,0.177224183,0.440331657,-0.383417036,-0.276643495,-0.510795997,-0.259576018,-0.525278635,-0.215274159,-0.491824943
8204,C22 H38 N6 O4,Chaksine,449.2912,8.41199,1.246793311,1.196659267,1.249002688,1.268226469,1.100854206,1.265790145,1.178833531,-1.66143731,-1.580704121,-1.757750588,-1.726558687,-1.530973731,-1.601244235,-1.700246003
8205,C59 H98 Cl N2 O4 S,C59 H98 Cl N2 O4 S,965.6765,14.229003,1.372543395,1.334393463,1.308991413,1.372767092,1.341393679,1.38609828,1.417028394,-1.035617112,-1.11799353,-0.93734349,-1.033637721,-1.064414263,-1.062275237,-1.018429637
8206,C55 H70 Mg N4 O5,Divinylchlorophyll a Esi+13.905025,907.5436,13.905025,0.44134081,0.806169771,0.429411372,0.346036307,0.382662978,0.504652769,0.321345585,-0.124421458,-0.332703056,0.124054834,-0.091899021,-0.167580206,-0.182433497,-0.087018959
8207,C28 H55 N8 O4 P,C28 H55 N8 O4 P Esi+13.791993,598.4066,13.791993,1.638916161,1.756222733,1.385515607,1.648431347,1.569790246,1.607802211,1.614009927,-1.959618363,-2.188659467,-1.686376344,-1.951742661,-1.942632842,-2.037546422,-1.909375272
8208,C36 H73 Cl3 N12,C36 H73 Cl3 N12,778.5185,14.325984,0.793399565,0.711370222,0.959475097,0.783084642,0.778414559,0.83975576,0.855819101,0.876591716,0.792299286,0.977151106,0.900992283,0.800004344,0.910443941,0.854765939
8209,C38 H63 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0) Esi+15.232966",678.433,15.232966,0.29513991,0.340166611,0.110850553,0.314408341,0.216379482,0.229478707,0.239279172,-0.116565442,-0.196445801,-0.021269575,-0.095363075,-0.148139837,-0.114266121,-0.118047899
8210,C17 Cl N3 O16 S4,C17 Cl N3 O16 S4,664.7872,12.732978,0.697533403,0.635222075,0.609926843,0.765260875,0.443233741,0.555367489,0.683158461,-0.22518157,-0.240729404,-0.206633277,-0.250573521,-0.206953295,-0.211797838,-0.233810555
8211,C23 H46 N3 O3 P,C23 H46 N3 O3 P,443.3255,13.988018,1.809118365,1.601387331,1.892511631,1.867445519,1.653535297,1.75056486,1.752316739,2.004755872,1.852132078,2.186833382,2.047789946,1.942162003,1.957578801,2.035172669
8212,C41 H60 O9,Lasonolide A Esi+8.063989 :1,696.4268,8.063989,0.306438677,0.188003998,0.436584108,0.302208993,0.172569122,0.369438577,0.224852789,-0.138838138,-0.047025513,-0.248368989,-0.15007397,-0.136356215,-0.117647615,-0.152500449
8213,C27 H55 N21 O4 P,C27 H55 N21 O4 P,768.448,8.771981,0.464951352,0.751055501,0.042510798,0.550543175,0.119675883,0.755774089,0.256886791,0.17429931,0.318804516,0.001907134,0.272601759,0.022238268,0.354288876,0.058253405
8214,C38 H75 N18 O4,C38 H75 N18 O4,845.5505,14.761977,1.093475629,1.151093597,0.885597155,0.998440307,1.172675536,0.998737124,1.115563802,-0.597325882,-0.707394014,-0.466016531,-0.490673913,-0.750167127,-0.551147063,-0.627099068
8215,C15 H24 N2 O4 S,Tiapride,328.1477,12.795005,0.720449206,0.777071596,0.376514087,0.560621475,0.52045975,0.737236867,0.522104402,-0.667682439,-0.815283412,-0.491597069,-0.727085731,-0.54731484,-0.844214101,-0.553865973
8216,C27 H49 N O4,C27 H49 N O4 Esi+12.846986,451.3649,12.846986,1.642066197,1.646638329,1.542821626,1.544565858,1.615135614,1.530260829,1.639397399,-1.406056539,-1.517331375,-1.273307611,-1.414910552,-1.393032873,-1.501982063,-1.344209819
8217,C31 H59 O12 P,PI(22:1(11Z)/0:0) Esi+13.725028 :1,654.374,13.725028,0.229187036,0.020880543,0.515893034,0.100592644,0.397112918,0.073065387,0.404723198,0.268766675,0.098399601,0.472011605,0.215851868,0.333744498,0.13857875,0.352703627
8218,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.925024",414.2256,9.925024,0.60752948,0.43095631,0.707005098,0.425431819,0.721711612,0.429607319,0.66450714,0.664287038,0.542359203,0.809744805,0.517324433,0.841249333,0.550020009,0.737959201
8219,C17 H40 N6 O6 S,C17 H40 N6 O6 S,456.2719,11.125,0.381447617,0.562761896,0.28932162,0.231890092,0.681011507,0.405274308,0.515454754,0.505768865,0.649832678,0.333903263,0.475035984,0.552011728,0.539199212,0.484215088
8220,C18 H38 O4,C18 H38 O4 Esi+13.895016,318.2779,13.895016,1.089384429,1.248421655,0.870719771,1.208487716,0.993901898,0.925909748,1.179631171,0.66109498,0.754170613,0.550057382,0.68218974,0.618737102,0.519385891,0.75246005
8221,C25 H41 N O5 P S,C25 H41 N O5 P S,498.2452,9.269017,0.780360852,0.779590252,0.940918088,0.698760989,0.92792433,0.984358738,0.687862075,0.897903969,0.750100551,1.074230853,0.82455481,0.979665628,0.99551851,0.834968278
8222,C26 H50 N2 O S2,C26 H50 N2 O S2,470.3323,14.332017,0.113764742,0.041389313,0.219920022,0.344230874,0.144574636,0.280891921,0.009590447,0.079326182,0.037851721,0.128804487,0.179505609,-0.071577924,0.150655004,0.033337863
8223,C28 H57 N O4 S,2-Hexacosanamidoethanesulfonic acid,525.386,13.916993,0.42290897,0.419196282,0.296573312,0.483397756,0.277280713,0.282708318,0.462160116,-0.299735938,-0.348022101,-0.242131394,-0.299183169,-0.31303853,-0.176276622,-0.379334708
8224,C19 H30 O8,Sonchuionoside C Esi+11.06299 :1,408.1755,11.06299,2.232026301,2.002184266,2.541127198,2.171858334,2.413913433,2.141574217,2.341579806,2.547437941,2.227907605,2.928632026,2.368866691,2.796826117,2.400989193,2.641858845
8225,C27 H46 N O7 P,"LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",527.3033,12.668965,0.544157223,0.212211767,0.989984788,0.750130846,0.442652035,0.608557506,0.584291609,0.29815925,0.113515098,0.518436484,0.362289836,0.246922049,0.268320568,0.317397347
8226,C25 H40 O8,3-alpha-androstanediol glucuronide Esi+13.602033,490.2546,13.602033,1.45638889,1.265901207,1.597465702,1.461549057,1.398487865,1.373760622,1.489761715,1.234179675,1.139794744,1.346779241,1.216386637,1.253586378,1.183989218,1.266539311
8227,C35 H58 N4 O3 S,Arachidonic Acid-biotin Esi+9.083007 :1,631.4482,9.083007,0.750278435,0.725816783,0.734988331,0.897301267,0.494251739,0.811860584,0.643156266,-0.475594145,-0.435242981,-0.523732376,-0.523405458,-0.429844743,-0.449517016,-0.492407031
8228,C5 Cl3 N2 O2 P S4,C5 Cl3 N2 O2 P S4,383.7644,4.0059934,1.025274527,0.998225659,1.043797419,0.930896044,1.17752724,1.184702822,0.920099806,0.453884563,0.492502883,0.407813586,0.440021479,0.487801178,0.560316512,0.385263965
8229,C18 H36 N6 O5,Istamycin B3 Esi+10.464991,416.2762,10.464991,1.599101409,1.500896614,1.276766819,1.415105989,1.358940695,1.427552422,1.444440483,2.445666462,2.54515807,2.32697472,2.428873031,2.442663084,2.466746784,2.432075202
8230,C33 H54 N6 O11,C33 H54 N6 O11 Esi+12.832016,710.3841,12.832016,1.039753341,0.837771442,1.346445939,1.139679664,0.954334818,0.988363354,1.049087763,0.790867952,0.64964181,0.959348262,0.821670389,0.752110343,0.722198576,0.835141628
8231,C28 H34 N11 O6 S,C28 H34 N11 O6 S,648.2306,6.351001,1.704439674,1.611013874,1.552502308,1.598826896,1.643508228,1.360400865,1.771828314,-1.546567627,-1.558637659,-1.532168291,-1.458371389,-1.658492452,-1.354082182,-1.670670085
8232,C41 H77 O12 P,PI(P-18:0/14:1(9Z)),809.5392,13.469975,0.111119701,0.063323015,0.361203119,0.152666389,0.038647667,0.003644648,0.23199395,0.228920684,0.100645714,0.381950473,0.3516789,0.06548992,0.170278624,0.266729381
8233,C20 H48 N17 O5 S,C20 H48 N17 O5 S,638.3676,13.642992,2.065896449,1.74986911,2.429394484,2.0189951,2.184974522,1.819706888,2.253214593,3.008789314,2.653423244,3.432734801,2.801137854,3.294386831,2.617519629,3.261055295
8234,C26 H50 N15 P,C26 H50 N15 P,603.4101,13.834976,1.982886422,2.013174303,1.888442909,1.996313261,1.984293588,2.038893055,1.950542496,2.326900812,2.5270227,2.088158909,2.359694245,2.25831424,2.489252669,2.222226588
8235,C28 H46 O5,Polyporusterone F Esi+14.589044,462.3316,14.589044,0.103773006,0.168885296,0.147092704,0.142242206,0.098032462,0.29157661,0.077221881,0.270074073,0.26888997,0.271486687,0.341010085,0.179923319,0.406284647,0.182254097
8236,C10 H21 N3 O4,Threoninyl-Lysine Esi+7.2239995,247.1503,7.2239995,0.893687434,0.676235041,0.985601255,0.766628059,0.917524377,0.829062738,0.833999266,0.481762726,0.432509689,0.540520735,0.458960079,0.508211343,0.49048136,0.476141501
8237,C29 H37 N2 O P,C29 H37 N2 O P,460.2626,7.234988,0.127650781,0.024160263,0.309244837,0.196317128,0.174507755,0.005321899,0.249985288,-0.046221567,0.100373293,-0.221106663,0.017084463,-0.205316203,0.192563226,-0.20017492
8238,C35 H64 N12,C35 H64 N12,652.5373,16.058023,1.49184904,1.483446674,1.339057294,1.470352812,1.342602656,1.428684129,1.390615238,-1.117924807,-1.177471281,-1.046886908,-1.171655349,-1.051372169,-1.163557641,-1.088503637
8239,C49 H91 O12 P,"PI(P-20:0/20:2(11Z,14Z)) Esi+13.155025",919.6377,13.155025,0.025803752,0.204116406,0.233567549,0.037387304,0.017168324,0.230725159,0.115898119,0.031059997,0.113500631,-0.067290233,0.046336273,-0.008999526,0.149205087,-0.045112495
8240,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+6.7130103 :1,238.1191,6.7130103,0.41368466,0.400094282,0.378307098,0.399004363,0.343986743,0.378840253,0.405306894,0.31578587,0.26192941,0.380035681,0.325994287,0.302280159,0.30131352,0.325116727
8241,C19 H30 O8,Sonchuionoside C Esi+8.457007,386.1972,8.457007,0.17574672,0.23372953,0.146464009,0.179990781,0.170889845,0.046176166,0.235161401,-0.070992588,-0.142511576,0.014328308,0.008571098,-0.192923938,0.154762353,-0.216545117
8242,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+9.477025",490.3091,9.477025,0.142137216,0.203919971,0.105616086,0.296726634,0.027043984,0.580773362,0.132926377,-0.213790654,-0.053597542,-0.404898227,-0.304000271,-0.10793706,-0.350837135,-0.125431739
8243,C14 H24 O3,L-Menthyl acetoacetate Esi+16.165026,240.1722,16.165026,1.624255501,1.629623158,1.365927943,1.64758687,1.353916365,1.546572822,1.504733122,-0.924807638,-1.062468763,-0.760580331,-0.966911137,-0.856789158,-0.96621495,-0.898110819
8244,C19 H40 N O5 P,C19 Sphingosine-1-phosphate Esi+5.437009,393.2621,5.437009,0.508247414,0.308896522,0.643050814,0.54925366,0.39260454,0.439212709,0.385793085,0.545004331,0.439441866,0.670938501,0.527778925,0.576088299,0.482712454,0.585166199
8245,C3 H3 N4 O3 P,C3 H3 N4 O3 P Esi+0.83000153,173.994,0.83000153,0.074627556,0.107838813,0.025870966,0.042687262,0.030036085,0.061536928,0.138825686,-0.17590751,-0.324757191,0.001667548,-0.283464705,0.005791258,-0.210762936,-0.153434933
8246,C20 H42 N9 O3 P,C20 H42 N9 O3 P,487.3156,13.913026,0.14230292,0.12357228,0.433747999,0.050354263,0.273057295,0.010683217,0.243408649,0.153576932,-0.061932207,0.410675554,0.07651009,0.278820465,-0.002612871,0.254278252
8247,C18 H32 O6,"2,3-dinor Thromboxane B1 Esi+11.863018",344.2186,11.863018,1.252808873,1.08784879,1.332948553,1.233244499,1.135980367,1.247205818,1.185588512,1.037125277,0.948787687,1.142510472,1.073468213,0.985524495,1.10892699,0.990832067
8248,C34 H67 N O6 P S,C34 H67 N O6 P S Esi+13.135009,646.4392,13.135009,1.162768454,1.174967764,1.223482265,1.132127014,1.146576516,1.300887922,1.150058867,0.648343203,0.687637334,0.601465995,0.675845986,0.588185793,0.761055687,0.575673312
8249,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+5.2259984",172.1103,5.2259984,0.851909189,0.665924636,1.015031443,0.983187417,0.839846421,0.602545717,0.950934919,-0.485594427,-0.380909671,-0.610481505,-0.441504658,-0.538470656,-0.276883833,-0.620157836
8250,C16 H32 N O4,"2,6 dimethylheptanoyl carnitine Esi+7.8769846",284.1983,7.8769846,0.064858911,0.049563725,0.06695604,0.099353402,0.207758309,0.064638439,0.119560209,-0.029600123,-0.051363226,-0.003637123,-0.154511596,0.141009165,-0.085056002,0.006154325
8251,C20 H26 N4 O5,Trp Pro Thr,402.1887,7.807991,0.175227355,0.386882452,0.112004117,0.001434335,0.379423844,0.163194688,0.372887245,-0.105667902,-0.34634098,0.181450858,0.068557232,-0.374070436,0.132452775,-0.259193075
8252,C16 H28 N6 O4,Pro Arg Pro Esi+9.816993,368.2176,9.816993,2.25382177,2.081245849,2.497982794,2.212372391,2.4310489,2.128656925,2.382654341,2.878777397,2.529853276,3.295037753,2.633436771,3.204293467,2.625178161,3.042282168
8253,C13 H28 N O2,Capryloylcholine,229.2037,7.2969975,0.444419608,0.272752799,0.628440737,0.44263154,0.474040317,0.560813803,0.377194936,0.524185237,0.264504345,0.833979986,0.5212473,0.542764149,0.514860696,0.530197113
8254,C19 H7 Cl3 N3 O11 P S3,C19 H7 Cl3 N3 O11 P S3,684.805,13.480973,0.251118321,0.205065546,0.233230304,0.323176123,0.06258901,0.13531812,0.280417047,-0.057550479,-0.045863104,-0.071493311,-0.089370625,-0.032061259,-0.014004258,-0.085626332
8255,C15 H43 N14 O4,C15 H43 N14 O4 Esi+13.877985 :1,483.359,13.877985,0.27466578,0.326791991,0.024520577,0.264491238,0.166948864,0.011164834,0.286906751,-0.098592855,-0.12786898,-0.063666952,-0.070606493,-0.151355925,0.020740406,-0.175531405
8256,C14 H27 Cl N5 O,C14 H27 Cl N5 O,315.1726,6.760008,0.456017043,0.631976039,0.215121403,0.44548848,0.40474647,0.561564354,0.369440477,0.279115812,0.331900923,0.2161441,0.296416423,0.238597438,0.321254439,0.251947486
8257,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.576982 :1",550.3114,12.576982,1.07156247,0.887639884,1.218575736,1.014599934,1.121283789,0.828920148,1.206319625,1.381274753,1.141850671,1.666903483,1.224584758,1.617814204,1.027124717,1.609608329
8258,C14 H42 N13 O4,C14 H42 N13 O4,456.3477,10.230978,0.38591603,0.388649447,0.282036559,0.476483663,0.216815373,0.244447897,0.373631882,-0.186881822,-0.170833206,-0.206027539,-0.175785312,-0.231263564,-0.080990302,-0.255153987
8259,C35 H56 N4 O5 S,8-iso Prostaglandin A2-biotin Esi+8.197999,661.4246,8.197999,0.197696668,0.233323522,0.185458243,0.338513037,0.054799824,0.482429356,0.004586504,-0.354594722,-0.324305754,-0.390728928,-0.516374754,-0.126840046,-0.475791171,-0.276454906
8260,C9 H13 N O2,C9 H13 N O2,167.0897,0.8809977,0.353267806,0.210942576,0.538954187,0.109369428,0.631603778,0.176674504,0.739496434,0.203038316,0.187055348,0.222105718,0.175963004,0.238733536,0.029109195,0.315176829
8261,C20 N2 O22,C20 N2 O22 Esi+9.6,619.8938,9.6,0.511959163,0.699407648,0.159363971,0.464616201,0.432619196,0.733597754,0.307773387,0.212274558,0.358266841,0.038108325,0.219828837,0.179550216,0.365124714,0.113726431
8262,C18 H7 N3 O11 S5,C18 H7 N3 O11 S5,600.8684,11.083986,0.333037105,0.470706585,0.082457933,0.321176032,0.213491566,0.165800083,0.364865497,-0.117790965,-0.21890573,0.002837177,-0.107078744,-0.120766531,-0.078592293,-0.143063792
8263,C10 H16 N2 O5,Glu Pro,244.1073,6.9329906,1.05693047,1.008632569,0.94994524,0.93152642,1.158334552,1.028092706,1.058225493,0.621955505,0.700592116,0.528143408,0.587016793,0.686967562,0.665064426,0.594161596
8264,C25 H52 N O6 P,PE(P-20:0/0:0) Esi+7.4360094 :1,515.3299,7.4360094,0.78174836,0.651860039,1.05188904,0.927699038,0.753429762,0.58352326,0.89929104,-0.560890391,-0.364647981,-0.795004144,-0.558805447,-0.584611663,-0.329734529,-0.709925092
8265,C27 H46 O3,"7alpha,25-dihydroxycholesterol Esi+4.004013",220.1618,4.004013,1.509453308,1.502789941,1.641629657,1.4701755,1.723066285,1.522961656,1.595985628,0.536087716,0.55199291,0.517113099,0.522788888,0.561874939,0.582980361,0.505854301
8266,<none>,<none> Esi+8.676019 :2,451.7868,8.676019,0.044329589,0.101033208,0.120150913,0.132845566,0.263387121,0.075893568,0.082520731,-0.035929129,0.058297555,-0.148339911,-0.132333881,0.08018095,-0.043673908,-0.030935785
8267,C14 H31 N,Tetradecylamine Esi+10.842023,213.2455,10.842023,0.231839407,0.601176143,0.447881669,0.293919772,0.099895163,0.444848797,0.032542864,-0.02917766,-0.116563886,0.075072574,-0.025368425,-0.026025346,-0.081211686,0.004370593
8268,C18 H36 N6 O4,Leu Ile Arg Esi+13.957017,400.2811,13.957017,0.094527088,0.426023962,0.431277931,0.123085512,0.044427068,0.144566558,0.007474038,-0.0153786,-0.212180082,0.219402115,-0.016576281,-0.011595216,-0.03615147,-0.001985565
8269,C27 H52 O5,DG(12:0/12:0/0:0)[iso2],456.381,13.999019,1.05679747,1.083519392,0.8084121,0.949118182,0.934441695,0.997027552,0.949140044,-0.696302554,-0.85991594,-0.501114655,-0.692134841,-0.690930609,-0.750040723,-0.661655576
8270,C48 H76 N2 O4 S,Chaulmosulfone Esi+14.337969,775.5444,14.337969,0.842401019,0.804083278,0.689733239,0.677737623,0.882303629,0.785355495,0.778281552,1.168763913,1.231541371,1.093871507,1.029334004,1.337725017,1.18424375,1.158783492
8271,C33 H48 O8,"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone Esi+7.134007",589.3675,7.134007,0.965077705,0.814129784,1.213160232,0.99183929,1.068787513,0.753061068,1.089537145,-0.638258283,-0.409378116,-0.911308306,-0.581053882,-0.735379902,-0.380953616,-0.804152081
8272,<none>,<none> Esi+9.173987,502.8207,9.173987,0.055631721,0.048734702,0.040263279,0.151227823,0.285793147,0.330353245,0.23098172,-0.165184479,-0.144100721,-0.190337033,-0.370428506,0.117711881,-0.436747577,0.009902254
8273,C28 H21 Cl3 N10 O9 S,C28 H21 Cl3 N10 O9 S,778.0278,11.8720045,0.369964778,0.463503929,0.03582121,0.54959653,0.039463431,0.318122339,0.263027586,-0.120609101,-0.227506354,0.006917446,-0.186421834,-0.059616553,-0.088744545,-0.141153354
8274,C43 H83 O13 P,PI(12:0/22:0),855.599,14.771978,0.540949446,0.438923773,0.506646342,0.389975926,0.589993156,0.298349838,0.595822791,-0.339539651,-0.284776224,-0.404871458,-0.274732364,-0.460534182,-0.210522166,-0.422721977
8275,C25 H54 N9 O2 S,C25 H54 N9 O2 S Esi+15.122019,544.41,15.122019,0.497602251,0.663216946,0.206165588,0.471980047,0.46228415,0.620491393,0.379670314,-0.11838043,-0.260591022,0.051274312,-0.080551599,-0.175824766,-0.18899146,-0.072854897
8276,C24 H49 N O7 P,LysoPC(16:1(9Z)) Esi+11.332011,493.3157,11.332011,0.822609102,0.990630796,0.640048563,0.979504699,0.691440761,0.707015354,0.883182491,-0.9477274,-1.169810117,-0.682786615,-1.048652959,-0.819277646,-0.759696721,-1.068957706
8277,C18 H35 N8 O3 P,C18 H35 N8 O3 P Esi+10.649992,442.2553,10.649992,0.642624191,0.614235667,0.534417425,0.729312629,0.447928431,0.430191419,0.685345814,-0.692425571,-0.779678618,-0.588334217,-0.722295207,-0.65636071,-0.536420665,-0.793007682
8278,C41 H62 N12 O11,Angiotensin (1-7),898.4659,14.268011,1.180491619,1.251676143,1.250362524,1.375797991,1.065685952,1.431905028,1.115550313,0.69028322,0.733977356,0.638156883,0.757246044,0.582125409,0.766682887,0.641025541
8279,C18 H37 N O3,"(4OH,8Z,t18:1) sphingosine Esi+11.12899",315.2775,11.12899,0.862613524,1.134696544,0.256070813,1.105603164,0.567526495,1.086107436,0.703425581,-0.267099165,-0.424761527,-0.079010734,-0.307487947,-0.212320796,-0.344366047,-0.21728236
8280,C7 H17 N10 O,C7 H17 N10 O,257.1638,4.887004,1.198801681,1.206390649,0.918706894,1.262338805,0.930663084,1.162753744,1.040304381,1.891123076,2.1739667,1.553695595,2.18317962,1.442092141,2.208358431,1.686589755
8281,C18 H28 O6,"11-dehydro-2,3-dinor-TXB2",362.1701,8.774015,0.410326193,0.233423569,0.650278436,0.319240802,0.502469723,0.41779261,0.417082664,0.288784397,0.169810412,0.430718274,0.270030028,0.311030511,0.276885594,0.296455994
8282,C36 H48 N2 O8,Ansatrienin A Esi+8.428985,636.3484,8.428985,0.486136604,0.342483855,0.638027553,0.509330283,0.564785207,0.564431945,0.419522735,0.293103504,0.274019152,0.315870801,0.206886013,0.414359093,0.310167069,0.282101994
8283,C34 H62 N6 O4,C34 H62 N6 O4 Esi+14.403022,618.4786,14.403022,0.563327162,0.548540813,0.36741217,0.312475325,0.723400224,0.474304946,0.49587506,-0.312763447,-0.386595913,-0.22468261,-0.229512292,-0.450591742,-0.350635703,-0.288345808
8284,C35 H58 O12,Fungichromin Esi+13.160981,692.3742,13.160981,0.007928936,0.05436634,0.048047777,0.189062267,0.267510231,0.271065187,0.146404573,0.00578473,-0.032856685,0.051883261,0.11463532,-0.157888381,0.129508382,-0.073984466
8285,C39 H77 N2 O6 P,"PE-Cer(d16:2(4E,6E)/21:0)",699.5475,16.095963,0.743538522,0.825486997,0.471186499,0.664332099,0.732873589,0.683415966,0.716882863,-0.273392658,-0.327635213,-0.208682242,-0.24310808,-0.323742604,-0.246399166,-0.290796357
8286,C19 H30 N O3,C19 H30 N O3 Esi+9.278001,320.2084,9.278001,2.238223377,2.157801978,2.457308267,2.383746995,2.274162337,2.220382406,2.344167643,2.476052063,2.246657637,2.749715588,2.423856511,2.526551378,2.385008275,2.534751347
8287,<none>,<none> Esi+12.967025,522.7983,12.967025,0.983963308,0.730401226,1.370877048,1.023719811,1.035704192,0.734776858,1.117309512,0.450582873,0.335210141,0.588220518,0.448240998,0.471206193,0.335483273,0.524791825
8288,C19 H30 O6,"5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid Esi+9.128015",354.2086,9.128015,1.909161189,1.733579233,2.020625126,1.722716364,2.108087087,1.590654608,2.067616252,1.727296459,1.518950041,1.97585008,1.463987426,2.074621819,1.440110407,1.912455887
8289,C22 H36 O7,Grayanotoxin I Esi+9.837011,412.2456,9.837011,2.117313586,2.194913413,2.078143331,2.270468285,2.127210409,2.281386647,2.129272384,-2.739187321,-2.900454699,-2.546798169,-2.915175371,-2.520956427,-2.759038811,-2.726388335
8290,C23 H49 N8 O4 S,C23 H49 N8 O4 S,533.3617,11.971989,0.524920983,0.356741734,0.840071887,0.508243177,0.475545233,0.623402225,0.515588294,0.240742913,0.205148937,0.283205903,0.265058862,0.1855443,0.322600134,0.187966547
8291,C22 H36 O7,Grayanotoxin I Esi+10.608009,434.2274,10.608009,2.362491116,2.30350053,2.314120992,2.369075469,2.358160157,2.415389782,2.299772465,-3.54943668,-3.555156767,-3.542612717,-3.424604355,-3.696485009,-3.563369776,-3.5404535
8292,C39 H62 O13,Melongoside F Esi+13.381029,738.4171,13.381029,0.687668402,0.448369221,0.987613425,0.598194088,0.801778932,0.662069887,0.724639904,0.871085219,0.622947421,1.16710926,0.785688783,1.003125788,0.804615898,0.913940439
8293,C18 H29 N O2,Penbutolol,291.216,7.443979,0.740935848,0.601146013,0.872136636,0.697578364,0.759971778,0.518861347,0.801986985,-0.46088071,-0.405733623,-0.526670217,-0.40456312,-0.546061172,-0.430821235,-0.480261161
8294,C21 H35 N O4,C21 H35 N O4 Esi+9.454993,365.2749,9.454993,0.282039073,0.334631054,0.262751727,0.348587016,0.341647586,0.375042014,0.320980117,0.280484231,0.32033867,0.232938584,0.295752669,0.233505557,0.285603466,0.277183671
8295,C27 H46 O4 S,cholesterol sulfate,488.2952,8.797982,1.089194409,0.923500843,1.033715222,0.896151913,0.971211317,0.92069268,1.033420857,1.09203483,1.067959044,1.12075682,1.05685293,1.107006524,1.121282266,1.07317793
8296,C19 H28 N6 O7,Tyr Arg Asp,452.2026,8.328002,0.66643712,0.546145232,0.729478982,0.406743466,0.846433973,0.496690301,0.733176159,0.84556714,0.658188522,1.069106544,0.623949024,1.136433914,0.679347753,0.952734902
8297,<none>,<none> Esi+5.7580094,473.7122,5.7580094,1.15833536,1.309170332,1.078594088,1.176284819,1.191109281,1.193242688,1.204570439,1.216761539,1.35340719,1.053745675,1.176955668,1.258702195,1.185872011,1.236677156
8298,C37 H55 Cl N5 O2,C37 H55 Cl N5 O2,636.4042,10.107992,0.966936597,0.952632022,0.909800725,0.950279921,0.799808759,0.959722929,0.941008341,0.729781927,0.81212755,0.631545045,0.825012371,0.565402891,0.840601089,0.658332731
8299,C10 H18 N6 O4,C10 H18 N6 O4 Esi+4.692006,286.1415,4.692006,0.528451669,0.203301272,0.927653758,0.516815319,0.550811622,0.504055307,0.489446584,-0.390475169,-0.223051742,-0.590208381,-0.391176928,-0.4077307,-0.480338053,-0.332537258
8300,C43 H59 N4 P,C43 H59 N4 P,662.4547,14.393013,0.603502682,0.531897313,0.63848621,0.684853546,0.5062938,0.533679455,0.619152246,0.688884319,0.659638297,0.72377431,0.766402264,0.565113134,0.648414069,0.71497698
8301,C19 H32 O5,"Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) Esi+10.984992",340.2248,10.984992,1.321276452,1.236495655,1.408752342,1.104254526,1.563833385,1.071008811,1.502431375,1.143458559,0.991874122,1.324296132,1.028896353,1.321972552,0.981820467,1.247672591
8302,C30 H56 N9 O4,C30 H56 N9 O4,606.4478,14.579017,0.028833913,0.06513039,0.220947278,0.071158342,0.041696043,0.139610476,0.02040097,0.26100076,0.093701838,0.460585437,0.286801014,0.218202636,0.333165537,0.214473469
8303,C11 H7 O5,C11 H7 O5,219.0298,1.2389997,1.410239304,1.350674038,1.405360724,1.202430342,1.601210392,1.278562005,1.472470965,0.791026985,0.757060378,0.831548552,0.693725213,0.932810136,0.708493395,0.844239432
8304,C22 H47 N24,C22 H47 N24,647.4415,8.925022,0.493545179,0.445376156,0.58742127,0.584368846,0.377280458,0.439370252,0.470230248,-0.303042871,-0.223564,-0.39785977,-0.313460163,-0.317366853,-0.211350136,-0.362160556
8305,C39 H63 N O10,beta1-Chaconine,704.4331,13.664005,0.769541375,1.039892154,0.175693784,0.684405953,0.670660549,0.878894875,0.655975152,-0.452766544,-0.713902373,-0.141236081,-0.393352737,-0.459242705,-0.594726806,-0.361239532
8306,C18 H26 N2 O6,Bufotenine O-glucoside,366.1762,10.819988,0.447990216,0.527312183,0.272355356,0.595683605,0.276415906,0.412015642,0.464884466,-0.321623207,-0.425050938,-0.198235739,-0.426136785,-0.179728674,-0.324972702,-0.319463664
8307,C47 H92 N O10 P,PS(22:0/19:0) Esi+15.306951,861.6348,15.306951,0.451757058,0.359681172,0.515248665,0.328722163,0.496541313,0.294068664,0.488345056,-0.160329499,-0.143205592,-0.180758019,-0.135522193,-0.212707641,-0.093692158,-0.203293048
8308,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+12.699971,508.265,12.699971,1.66215482,1.514323407,1.792507031,1.724487865,1.631839913,1.720946454,1.650995964,1.293458674,1.135187959,1.48227286,1.309225991,1.268329832,1.27469239,1.305557989
8309,C39 H18 O4 S5,C39 H18 O4 S5,709.9814,12.928971,0.382366133,0.414275132,0.237753232,0.560003123,0.119048103,0.197883094,0.419488746,-0.110718422,-0.144126037,-0.070863723,-0.132432759,-0.094739099,-0.005236402,-0.178726566
8310,C55 H72 Mg N4 O6,Bacterio-chlorophyll b,908.5227,13.94303,0.634007597,0.58263328,0.487988087,0.452311462,0.665869166,0.50416805,0.597690311,-0.545380271,-0.68249899,-0.381800045,-0.320448208,-0.881908796,-0.504336365,-0.571842789
8311,C30 H52 N3 O5,C30 H52 N3 O5 Esi+15.087957,534.3887,15.087957,1.322899897,1.476234965,0.973508232,1.390941261,1.1535939,1.191511188,1.266745641,-0.739680443,-0.92363642,-0.520224189,-0.711334435,-0.804300326,-0.636354752,-0.806298323
8312,C20 H31 N8,C20 H31 N8,383.2732,8.977024,0.613245071,0.752879233,0.450757481,0.636242859,0.669742028,0.854996191,0.53041909,0.507909205,0.655296684,0.332078528,0.481304686,0.517549911,0.64099958,0.422100936
8313,C36 H80 N12 O16 P,C36 H80 N12 O16 P,967.5557,14.114991,0.545493537,0.482722015,0.55485479,0.607950858,0.382253339,0.658194688,0.461555525,0.388724379,0.371587075,0.409168883,0.429116908,0.303525054,0.463274065,0.34065945
8314,C21 H5 N2 O18 P S,C21 H5 N2 O18 P S Esi+12.750981,635.9001,12.750981,1.246543504,1.343813648,1.103749315,1.071190695,1.376563348,1.132059446,1.288095692,0.631244628,0.763670703,0.473262643,0.595807013,0.653166592,0.658897399,0.613415867
8315,C44 H72 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) Esi+15.093013",822.5145,15.093013,1.06659094,0.915943638,1.118147666,0.975552385,1.071736644,1.088129916,0.992232285,1.004277841,0.972138124,1.04261996,1.01739258,0.990948752,1.092415651,0.947452148
8316,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.221974 :1,488.3474,15.221974,0.954191317,1.115762058,0.608729137,0.921391055,0.926734594,0.992785836,0.867569157,-0.590284937,-0.755290363,-0.393436358,-0.475724262,-0.766150607,-0.545403487,-0.619221661
8317,C34 H53 Cl N5,C34 H53 Cl N5,566.3925,15.2199745,0.485612677,0.288515896,0.688375246,0.570690863,0.338085377,0.559878349,0.40366498,0.34763341,0.250648357,0.463334877,0.39325996,0.281732824,0.358085672,0.340894451
8318,C19 H32 O8,"5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside",410.1914,9.225988,0.747706339,0.582768603,1.001344763,0.791379789,0.735864383,0.39809087,0.974777432,-0.63307583,-0.555049496,-0.726159876,-0.650593653,-0.632901054,-0.399832345,-0.783456497
8319,C18 H30,"5,7-Diethyl-9-methyl-3E,5E,7E,9E-tridecatetraene",268.2189,14.508035,1.86543921,1.813793619,1.757782202,1.804269191,1.796531179,1.938709422,1.713436633,-1.340728418,-1.370814124,-1.304836699,-1.320782902,-1.35901103,-1.367889731,-1.323216519
8320,C9 H17 N O,N-Methylpelletierine Esi+1.3970025,155.131,1.3970025,0.919875328,0.908555275,0.923712521,0.928707572,0.922206273,0.843666092,0.97777368,0.331596464,0.294383727,0.375990607,0.299111605,0.373364508,0.273084554,0.369321248
8321,C15 H15 N O3,Ismine,279.0831,1.2879969,0.365576156,0.420469735,0.186421368,0.290806064,0.296493954,0.563734007,0.16261936,0.132283585,0.177162392,0.078743957,0.076929134,0.203788964,0.255722544,0.052697941
8322,C23 H41 N3 O6 S,C23 H41 N3 O6 S,487.264,9.878016,0.854396329,0.770479431,0.796586168,0.504592411,1.070209435,0.306353898,1.062079082,0.700403792,0.667295551,0.739901343,0.535991388,0.981127767,0.361823939,0.918698697
8323,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+14.924013",333.3024,14.924013,1.747284354,1.709925857,1.65810495,1.55385621,1.829848909,1.6118109,1.780044851,-1.255252549,-1.3227456,-1.174734523,-1.202816011,-1.323559661,-1.258371079,-1.253241918
8324,C34 H59 N P S,C34 H59 N P S Esi+15.077947,544.408,15.077947,0.261033754,0.365182704,0.126253044,0.121317907,0.388416534,0.117454145,0.262622914,0.020840154,-0.054418758,0.110622716,0.102376579,-0.088487657,0.06166082,-0.005478433
8325,C20 H38 N17 O3,C20 H38 N17 O3 Esi+12.829026,564.3389,12.829026,1.259504284,1.16262717,1.447890974,1.283772114,1.292885021,1.269150686,1.329004683,1.325313507,1.154359116,1.529259097,1.296078415,1.335930357,1.091101615,1.476318543
8326,C10 H19 Cl2 N7 O,C10 H19 Cl2 N7 O,323.1028,1.3169978,0.144150739,0.161263021,0.06020617,0.137564906,0.035353717,0.140187934,0.055749945,0.045020808,0.037425412,0.054081983,0.055619515,0.029963555,0.054683314,0.038791035
8327,C23 H45 N O3,N-stearoyl valine,383.3395,12.760009,0.667907309,0.656528621,0.545229591,0.523477988,0.744322472,0.505042117,0.688085671,-0.55032298,-0.659859058,-0.419648361,-0.542433296,-0.58640148,-0.610769733,-0.511350732
8328,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+4.6719975",299.1912,4.6719975,0.554889429,0.578505448,0.621403766,0.457944591,0.767202854,0.529868951,0.627549496,0.229199654,0.194510839,0.270582801,0.220799295,0.25519551,0.25963687,0.209575659
8329,C19 H31 N6 O11 S4,C19 H31 N6 O11 S4,647.0921,12.988022,0.848915641,0.877301184,0.856392205,0.863736808,0.840081456,0.891070723,0.918104675,0.51982885,0.542426089,0.49287074,0.526548059,0.490566429,0.528376082,0.514318134
8330,C14 H14 O4,"4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol",268.0722,5.3299956,0.476118193,0.25482809,0.712594339,0.397994568,0.394929403,0.148882462,0.677338948,0.428615417,0.20360394,0.697050162,0.427093861,0.41269325,0.196599063,0.578204908
8331,C15 H32 O6,"1,2,3-Tris(1-ethoxyethoxy)propane Esi+7.875984",308.2198,7.875984,0.372551978,0.062830575,0.731077073,0.245839668,0.501464501,0.231497402,0.448996032,-0.269756766,-0.103234476,-0.468414935,-0.202572039,-0.385085127,-0.172138414,-0.332694913
8332,C11 H20 N7,C11 H20 N7,250.1775,5.8540034,1.37057943,1.344333818,1.409902574,1.400465177,1.290947692,1.287457915,1.392693803,0.260874926,0.260092915,0.261807852,0.266046355,0.249393474,0.256448364,0.263728894
8333,C27 H47 N15 P,C27 H47 N15 P Esi+14.779036,612.3963,14.779036,0.737520499,0.886616509,0.437087897,0.804098845,0.610165489,0.801905247,0.593292712,-0.494456983,-0.788460652,-0.143715763,-0.516869154,-0.470069415,-0.634798743,-0.403973479
8334,C18 H26 O4,Capsiate,306.1806,12.304995,1.231772939,1.345354115,0.942375694,1.236798662,1.046246375,1.200850487,1.15791072,1.104796562,1.236795812,0.947323772,1.16582981,0.996086609,1.133082272,1.086559722
8335,C41 H63 N25 O2 P,C41 H63 N25 O2 P,966.5541,13.8169775,0.018962123,0.02688665,0.036554136,0.015232627,0.125004073,0.066746406,0.035115907,0.023309773,0.059013452,-0.019284089,0.074472548,-0.081230698,0.049770126,0.006249809
8336,C31 H34 N2 O3 S2,C31 H34 N2 O3 S2 Esi+14.927001,546.201,14.927001,0.933821903,1.208496683,0.441872028,1.090435181,0.622073452,1.041165677,0.795712054,-1.093350456,-1.484900153,-0.626238536,-1.236324033,-0.891617744,-1.324388217,-0.9443919
8337,C21 H30 N4 O5,Leu Thr Trp Esi+9.103019,418.2208,9.103019,0.875958914,0.804550072,0.905688328,0.593537778,1.216000153,0.803148034,0.945201729,1.461040979,1.373969445,1.564915792,1.044733115,2.001000449,1.432344272,1.479542804
8338,C26 H36 O8,Austalide H Esi+10.363007,498.2281,10.363007,2.055375534,1.983310067,2.217687743,2.051268247,2.154676401,2.162306825,2.065081095,3.385968431,3.292658812,3.49728517,3.278084266,3.491468304,3.420378128,3.363783232
8339,C48 H78 N3 O16,C48 H78 N3 O16,952.5395,14.093995,0.279265314,0.381075707,0.100437878,0.307365126,0.217347491,0.187721164,0.283153558,-0.121228605,-0.224917459,0.002470378,-0.104577707,-0.170144752,-0.082859095,-0.145966842
8340,C15 H26 N6 O7,Gln Gln Gln Esi+6.798989,402.1864,6.798989,1.010975107,0.925278145,1.045946182,0.740054388,1.340325504,0.513792198,1.317112406,-0.623019828,-0.546129268,-0.714748918,-0.37927117,-0.980502202,-0.252781928,-0.861725842
8341,C27 H43 N O4,N-oleoyl tyrosine,445.3191,11.541014,0.842187054,0.752587375,0.912327836,0.962513249,0.671832491,0.915375568,0.784636019,-0.740212768,-0.688509292,-0.801894107,-0.806613652,-0.694094102,-0.72454086,-0.750317024
8342,C13 H24 N7 O2,C13 H24 N7 O2 Esi+5.177988,310.199,5.177988,0.142693861,0.151333504,0.573845679,0.056968268,0.330372883,0.132010849,0.353644498,-0.08686037,0.054013036,-0.254919872,-0.020949253,-0.193136576,0.067261642,-0.18622851
8343,C30 H58 Cl N2 O3 S,C30 H58 Cl N2 O3 S,561.3876,12.785004,1.149621942,1.051379838,1.169137481,0.906919894,1.307369333,0.882656762,1.278153271,-1.282498968,-1.154418154,-1.435297132,-1.055748886,-1.577907408,-1.040753688,-1.438361056
8344,<none>,<none> Esi+11.095969,558.8192,11.095969,1.355748484,1.119941122,1.681287809,1.267411203,1.552208539,1.145375527,1.579622965,0.65926653,0.564739752,0.772035316,0.660648502,0.658950628,0.594922397,0.700751563
8345,C21 H34 N4 O4,Phe Lys Leu Esi+10.004988,214.1222,10.004988,0.821384025,0.784132527,0.893619786,0.946624677,0.720415655,1.160187658,0.663894346,0.786227154,0.722740373,0.86196577,0.890010622,0.6238216,1.077339171,0.598536512
8346,C12 H20 O5,"Polyethylene, oxidized Esi+9.666014",244.1303,9.666014,0.421279096,0.485378259,0.226952325,0.516988862,0.240089263,0.407889669,0.271383571,-0.365677897,-0.515723595,-0.186676012,-0.463369291,-0.230932806,-0.318644497,-0.396002063
8347,C34 H59 Cl O5,C34 H59 Cl O5,582.3827,15.034966,0.404270709,0.273392166,0.527861112,0.471864735,0.274341676,0.495409594,0.226940171,-0.1597868,-0.098843176,-0.232491474,-0.224535319,-0.091958336,-0.274354329,-0.085920893
8348,C39 H57 N4 O3,C39 H57 N4 O3,629.4327,12.254987,1.777908932,1.573488183,1.741049935,1.583997873,1.735559502,1.401379282,1.805220389,2.20781132,2.038768122,2.40947689,2.051906483,2.402397103,1.857346912,2.433768636
8349,C16 H34 O4,C16 H34 O4 Esi+12.227031,290.2454,12.227031,0.545286436,0.576603363,0.21771145,0.63709035,0.297298918,0.444522495,0.494764732,-0.304856438,-0.396306035,-0.195758673,-0.364432674,-0.236520486,-0.242350808,-0.34515612
8350,C30 H14 N4 O18 P,C30 H14 N4 O18 P Esi+13.996026,749.004,13.996026,1.688075302,1.626197685,1.872954274,1.682484622,1.779926228,1.822661428,1.690213278,0.9022403,0.906646275,0.896984049,0.898354204,0.887242235,0.961912922,0.863767162
8351,C44 H74 N O9 P,"PS(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.633038",791.5066,13.633038,0.865940451,0.661761434,0.998164628,0.779186753,0.822578314,0.699607522,0.87679888,0.918552785,0.811638894,1.046099182,1.006743825,0.82211166,0.935771105,0.9074515
8352,C44 H80 N O10 P,"PS(22:2(13Z,16Z)/16:1(9Z))",813.5545,12.662031,0.311862906,0.362201543,0.093954762,0.380559551,0.045119163,0.177487709,0.272470367,-0.086768407,-0.141730937,-0.021199074,-0.093559047,-0.096608804,-0.036457531,-0.119205683
8353,C28 H41 N O3,N-arachidonoyl vanillylamine Esi+8.795016,439.3138,8.795016,0.533574414,0.49546728,0.456991053,0.502896337,0.474121231,0.747141586,0.354739631,0.233398167,0.256762259,0.205525214,0.211280479,0.242923285,0.344873237,0.161526082
8354,C32 H56 O12,Cuscutic resinoside A,654.3595,12.822999,2.049501586,1.89105332,2.095399722,2.038482798,2.034476845,1.748881278,2.214533145,2.644021692,2.535709056,2.773236767,2.532789455,2.781161589,2.364893424,2.82398597
8355,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+15.137963 :1",576.4744,15.137963,1.897413303,2.032269081,1.572749453,1.847406366,1.863689944,1.857737831,1.860708469,-2.564583213,-2.982338554,-2.06620842,-2.544969655,-2.566899887,-2.595072693,-2.544925522
8356,C16 H28 Cl N O4,C16 H28 Cl N O4 Esi+5.4630094,332.1771,5.4630094,1.477447044,1.503125902,1.498877904,1.432119494,1.579416479,1.626836866,1.438826411,2.204522925,2.087039122,2.344679042,2.154595311,2.280927041,2.339300099,2.117627116
8357,C20 H24 N2 O S,Lucanthone,340.164,10.016997,0.016959196,0.030560273,0.182288194,0.009511149,0.074867494,0.074642531,0.065969462,0.161999918,0.226994855,0.084462099,0.329687396,-0.059952893,0.334388065,0.050854929
8358,C30 H48 O9,Lithocholate 3-O-glucuronide Esi+12.797039,552.3321,12.797039,0.370707561,0.310681621,0.417587785,0.197901369,0.476347704,0.360740877,0.327631031,-0.699065566,-0.728171328,-0.664342901,-0.658803982,-0.715766726,-0.969899514,-0.524448941
8359,C21 H6 Cl3 N2 O5 P S5,C21 H6 Cl3 N2 O5 P S5,660.785,12.375,0.703159457,0.572745236,0.707186454,0.76587024,0.442269529,0.452532149,0.69918985,-0.30306048,-0.244535597,-0.372879638,-0.314272701,-0.306022377,-0.179045356,-0.383017599
8360,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.3210115",214.1239,6.3210115,0.05766723,0.083915764,0.056198783,0.076236285,0.03558446,0.116952219,0.01838832,-0.055453194,-0.015861292,-0.102685638,-0.076272613,-0.02275708,-0.123381009,-0.011657629
8361,C31 H46 O2,Phylloquinone,450.3547,9.387966,0.833074214,0.698788096,1.101928112,0.569874262,1.156499938,0.374629264,1.169377187,0.351455859,0.306067307,0.405603606,0.264773314,0.454126566,0.173380267,0.466267754
8362,C31 H60 Cl2 O S,C31 H60 Cl2 O S,550.3458,14.602032,0.626328879,0.537473028,0.56643457,0.636496817,0.578243533,0.266992295,0.699021601,-0.470071776,-0.428777958,-0.519334577,-0.348672948,-0.668448818,-0.107116183,-0.70408262
8363,C12 H32 N8 O4 P,C12 H32 N8 O4 P,383.2183,6.180014,0.780887514,0.477275459,0.990922807,0.504575798,1.027152412,0.564849078,0.79642782,0.716728837,0.453992787,1.030168334,0.462201879,1.054663208,0.503827859,0.853993941
8364,C18 H35 N O,Dodemorph,298.298,10.620017,0.680753365,0.749218627,0.430347266,0.774080497,0.432088153,0.825988382,0.488920723,-0.260597939,-0.284790379,-0.231736782,-0.285617779,-0.2223733,-0.344001127,-0.20682483
8365,C13 H24 N6 O6,Glu Gly Arg Esi+5.8420067,360.1763,5.8420067,0.433297364,0.213205254,0.683688249,0.502190966,0.387550011,0.311898866,0.473934851,-0.344470862,-0.136196505,-0.592938515,-0.314821244,-0.400121974,-0.174024459,-0.454363937
8366,C31 H48 N16 O9 S,C31 H48 N16 O9 S,820.3528,7.225986,0.580283037,0.544293458,0.550798636,0.652556898,0.356365536,0.617614605,0.517058596,0.430168037,0.442615783,0.415318096,0.525457725,0.279677031,0.498013713,0.386425431
8367,C31 H68 Cl N5 P S,C31 H68 Cl N5 P S,608.4621,15.139959,0.329873372,0.420274153,0.186806213,0.348377589,0.254730147,0.02300144,0.351244124,-0.231222817,-0.277259913,-0.176301369,-0.208905212,-0.280055995,-0.052772994,-0.346275992
8368,C9 H16 O2,4-Oxononanal,156.1128,8.81201,0.466052733,0.646015779,0.275430748,0.513381451,0.424203268,0.333646927,0.476614609,-0.309566861,-0.390838162,-0.212611624,-0.333635648,-0.271632002,-0.254962238,-0.344772473
8369,C40 H58 O11,Avermectin B1b monosaccharide,736.3798,14.69501,1.429834557,1.396267557,1.505699485,1.481126051,1.421580248,1.478920998,1.391780716,0.754446199,0.725891849,0.788511037,0.737147422,0.770656591,0.776863458,0.739992966
8370,C22 H32 N13 O,C22 H32 N13 O,494.2973,12.722974,1.808030024,1.677640989,1.962505447,1.664802421,1.983627616,1.562382733,2.031814462,1.202605265,1.198972826,1.2069387,1.156108116,1.250809814,1.143639614,1.240622592
8371,C17 H34 O,3-Ethylpentadecan-2-one Esi+10.951989,271.2872,10.951989,0.879332494,1.098487941,0.420473817,1.063928207,0.444451943,1.017739896,0.677522735,-0.224180595,-0.302533864,-0.13070652,-0.287161112,-0.132009452,-0.302701145,-0.173555504
8372,C28 H46 N3 O3,C28 H46 N3 O3,470.3432,15.30597,0.042981672,0.15426069,0.452825743,0.031657599,0.21582085,0.155946459,0.110903219,0.113547438,-0.065235172,0.326831955,0.055491957,0.190491498,0.113087385,0.113844052
8373,C7 H24 N8 O P,C7 H24 N8 O P,265.1443,9.162998,0.362886026,0.505798095,0.291779076,0.311266642,0.482927007,0.574389156,0.315929601,-0.393449293,-0.361905191,-0.431080853,-0.493396504,-0.261431377,-0.546332407,-0.294879916
8374,C51 H74 O11 S,C51 H74 O11 S,894.4964,13.811019,1.222763208,1.122385044,1.058774784,1.098950965,1.190795561,0.964820391,1.24403701,-0.762246362,-0.83171756,-0.679368443,-0.687870025,-0.883856922,-0.644245424,-0.838325915
8375,C13 H28 N4 O4,Istamycin AP,303.2043,6.984988,0.386187366,0.30231512,0.393237083,0.240795307,0.448101814,0.273712836,0.409635129,0.209650777,0.186851227,0.236850241,0.148961259,0.274920996,0.18655153,0.224543713
8376,C11 H20 N7 O,C11 H20 N7 O Esi+4.8979974,266.1725,4.8979974,0.13605746,0.0024707,0.465061049,0.158842741,0.296278859,0.094288128,0.260823585,-0.097130114,-0.008370166,-0.203019174,-0.048116492,-0.182112,-0.021534391,-0.145869461
8377,C27 H30 O18,"Quercetagetin 3,7-diglucoside",664.1292,14.221982,0.63894688,0.563275891,0.419436883,0.762739689,0.271277211,0.532471811,0.517692552,-0.611423301,-0.712583575,-0.490740869,-0.632547817,-0.64399517,-0.658391209,-0.58114136
8378,C18 H38 N9 O2 S2,C18 H38 N9 O2 S2,476.2592,7.3520174,0.176805136,0.101552412,0.53214392,0.003942328,0.423513452,0.042763907,0.356408599,-0.219938189,0.020635244,-0.506938075,-0.052985144,-0.481715264,-0.009438404,-0.355655156
8379,C30 H51 N21 O2 P,C30 H51 N21 O2 P Esi+13.236017,768.4277,13.236017,2.068200452,1.889323959,2.179926085,2.011115068,2.150367199,1.978666582,2.105920143,2.179071108,2.017797989,2.371467109,2.112009935,2.276556151,2.10947014,2.223945416
8380,C6 H9 N5 O2,"2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine Esi+4.1459966",200.1027,4.1459966,0.168926226,0.142178267,0.209833284,0.19890046,0.132389485,0.091962778,0.217818686,0.152270833,0.162025878,0.140633235,0.167416675,0.113253461,0.117445187,0.17472421
8381,C15 H22,beta-vatirenene,219.1983,9.462002,1.581396418,1.778391,1.712104308,1.536391293,2.04161061,1.936548823,1.640753886,-0.786186877,-0.845396095,-0.715551319,-0.800210028,-0.772432737,-0.819907392,-0.764446019
8382,C36 H70 N O9 P,PS(P-18:0/12:0) Esi+8.078986 :1,691.4712,8.078986,0.733302018,0.774552563,0.629205442,0.876392919,0.405804296,1.060087297,0.477530783,-0.802059625,-0.796183898,-0.809069264,-0.963485777,-0.560827106,-0.969533631,-0.694082963
8383,C14 H27 N O6,Amiprilose Esi+9.114012,305.1834,9.114012,0.391015701,0.516131427,0.187585116,0.488193034,0.144327148,0.421560449,0.265672384,-0.392063588,-0.479125501,-0.288200255,-0.518844026,-0.227515157,-0.447380342,-0.356398839
8384,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+14.736028",280.2397,14.736028,1.584817848,1.781803328,1.14391883,1.661598148,1.380841436,1.650705861,1.439565556,-1.349390627,-1.63571354,-1.007812415,-1.392559305,-1.305788574,-1.42246807,-1.302274908
8385,C33 H44 O,Citranaxanthin Esi+14.975035,456.3406,14.975035,0.473374585,0.471278271,0.343596067,0.515909947,0.384643893,0.359773825,0.442260258,-0.079614199,-0.088547391,-0.068957057,-0.071212391,-0.104587851,-0.006012186,-0.127068128
8386,C27 H47 N7 O6,JSTX-3 Esi+12.597998,582.3892,12.597998,1.241362652,1.194549449,0.933235629,1.000533505,1.13743379,1.102848448,1.096804778,2.506509454,2.678043253,2.301872641,2.517054964,2.472102514,2.686615814,2.390388248
8387,C27 H44 O8,"(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside",518.2866,14.091009,1.12654245,0.838410534,1.438642009,1.098865638,1.13752804,1.175679638,1.111129676,0.676375361,0.574618223,0.797769842,0.666815985,0.682884709,0.70062849,0.660738476
8388,C21 H45 N O7 P,PC(13:0/0:0)[U] Esi+12.257014,453.2865,12.257014,0.487686194,0.395865981,0.580027899,0.496656336,0.510993807,0.377293886,0.606284176,0.232878543,0.196542157,0.276227213,0.276103008,0.1747047,0.198505925,0.255039836
8389,C28 H60 N13 O8,C28 H60 N13 O8 Esi+12.981991,706.468,12.981991,1.455082946,1.406248313,1.589136864,1.417832438,1.504494749,1.427333896,1.557876586,0.790105622,0.788129895,0.79246263,0.802063826,0.755933488,0.808390281,0.77831683
8390,C36 H67 O8 P,PA(19:1(9Z)/14:1(9Z)),658.4632,16.457026,1.158096316,1.321008013,1.075383806,1.299335687,1.34108252,1.180955444,1.2606963,-1.020482079,-1.168969123,-0.843339641,-0.935221089,-1.103319336,-0.831972413,-1.142021206
8391,C25 H38 N3 O4,C25 H38 N3 O4,444.29,9.4749975,0.023433665,0.023473825,0.1021692,0.063246493,0.099295393,0.254700906,0.104154056,-0.059977652,-0.01997274,-0.107702809,-0.047278388,-0.038207851,0.074589505,-0.146738055
8392,C10 H16 N2 O,Rilmenidine Esi+4.5109897,180.1261,4.5109897,0.192139898,0.282502729,0.121882596,0.272104612,0.034048504,0.459359466,0.245820323,-0.028625554,-0.078805062,0.031237719,-0.038131725,-0.010917508,-0.101747842,0.01851908
8393,C12 H22 N2 O8,N6-Galacturonyl-L-lysine Esi+7.348016,322.1389,7.348016,0.668445608,0.720201018,0.399464492,0.486636014,0.775321452,0.814186277,0.490231833,-0.33239495,-0.397506688,-0.25471779,-0.286527954,-0.407929277,-0.452050385,-0.255248684
8394,C13 H16 N10,C13 H16 N10,312.1552,5.9010005,2.005804128,2.010062982,1.913058659,2.120017938,1.913660493,2.128542071,1.926813045,-1.157651864,-1.147693819,-1.169531637,-1.223884781,-1.058878748,-1.23061249,-1.11061146
8395,C49 H25 Cl3 N14 O,C49 H25 Cl3 N14 O,930.1398,13.720965,0.442611214,0.426460593,0.232563309,0.404036255,0.188579532,0.21212322,0.467983969,-0.130086038,-0.162940215,-0.090891581,-0.114674692,-0.172423107,-0.043132615,-0.186148113
8396,C40 H65 Cl3 N S,C40 H65 Cl3 N S,696.39,7.7650127,0.214002901,0.10047181,0.615862643,0.027045691,0.449675414,0.17142386,0.429075785,-0.137390456,0.055591422,-0.367614452,-0.037824346,-0.295921146,0.079870101,-0.277466342
8397,C33 H60 N5 O7,C33 H60 N5 O7,636.4409,15.23603,0.667393942,0.572030137,0.820821233,0.779958883,0.562000913,0.800212238,0.634238034,0.54341175,0.453404254,0.650789114,0.560521045,0.504700785,0.546130169,0.541659085
8398,C32 H61 O8 P,PA(17:1(9Z)/12:0),604.4168,13.319021,0.330581574,0.267306435,0.446042711,0.411614402,0.206213623,0.342657819,0.37303957,0.330971904,0.267482974,0.406713083,0.408584231,0.197897416,0.357601404,0.313802884
8399,C20 H51 N8 O5 P,C20 H51 N8 O5 P Esi+10.965991,514.3721,10.965991,0.668538493,0.832287408,0.355538183,0.741777407,0.487022182,0.749064942,0.559369192,-0.783053836,-1.041085811,-0.475226217,-0.914219417,-0.576697034,-0.911269562,-0.700388434
8400,C23 H54 N19 O3 P,C23 H54 N19 O3 P Esi+8.719978,675.4396,8.719978,0.770067499,0.708444662,0.814444822,0.806488868,0.671988759,0.703678154,0.742765797,-0.487268339,-0.430716801,-0.554733333,-0.481071922,-0.511083693,-0.398446979,-0.544534743
8401,C9 H16 O4,Butyl ethyl malonate Esi+6.043 :1,188.1032,6.043,0.48717807,0.720414104,0.068754211,0.570687246,0.207289958,0.556115453,0.313114246,-0.292436395,-0.480909027,-0.067591852,-0.358184263,-0.16445441,-0.330110734,-0.268146361
8402,C25 H45 N11 P,C25 H45 N11 P,528.3596,14.612042,0.999182428,1.197578362,0.624626908,0.815852812,1.216301515,0.595501639,1.209419981,-0.576668136,-0.693254783,-0.437582312,-0.392714049,-0.831588779,-0.293552265,-0.759203369
8403,C24 H51 N7 O4 P,C24 H51 N7 O4 P Esi+14.593014,532.3729,14.593014,0.690545641,0.771310158,0.362112701,0.609068215,0.631372641,0.555146189,0.642096579,-0.403096812,-0.59506935,-0.174076942,-0.351685323,-0.492879263,-0.338471458,-0.444763159
8404,C30 H61 N O8 P,PC(9:0/13:0)[U] Esi+11.012964,594.4126,11.012964,0.928350805,0.895518937,0.789104733,0.982711468,0.695386846,0.770698098,0.913380235,-0.549908526,-0.545465096,-0.555209461,-0.515642392,-0.611341011,-0.428806051,-0.627987754
8405,C18 H37 N6 O5 S,C18 H37 N6 O5 S,449.2554,11.125,1.174335224,0.989621864,1.543727391,1.276000589,1.258195178,1.143511527,1.242491339,0.511704913,0.438119202,0.599491375,0.509792774,0.517652299,0.466761879,0.540681342
8406,<none>,<none> Esi+9.633031 :1,443.7893,9.633031,0.560093217,0.69956496,0.295922092,0.433448095,0.611686073,0.63596223,0.498770467,0.238985481,0.351523036,0.104730152,0.227034532,0.235014014,0.330697942,0.179855079
8407,C39 H73 N O8 P,"PC(17:2(9Z,12Z)/14:1(9Z))",731.5367,13.860037,0.523002061,0.629056921,0.203490697,0.430211623,0.363679152,0.492939969,0.38175381,-0.260104267,-0.392436305,-0.102234467,-0.254988062,-0.270443153,-0.302705487,-0.23263769
8408,C28 H56 Cl2 N2 O3,C28 H56 Cl2 N2 O3,538.3627,14.443037,1.037799381,1.119280115,0.830297025,0.944800553,1.064502875,0.812139248,1.081403221,-0.645300367,-0.769778677,-0.496799927,-0.548512784,-0.80762129,-0.499723414,-0.739159192
8409,C13 H18 O6,"Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) Esi+5.2320075",270.1078,5.2320075,0.536481636,0.580674214,0.537625954,0.554931362,0.665993527,0.988639227,0.287009306,-0.185536193,-0.223724179,-0.139978597,-0.130271086,-0.248774975,-0.301334139,-0.110876992
8410,C21 H38 N7 O,C21 H38 N7 O,404.3138,14.269028,2.27572643,2.359455443,2.133084681,2.241792412,2.361088825,2.44041837,2.219653442,-1.445686744,-1.598211908,-1.263726898,-1.476761349,-1.40053143,-1.522279053,-1.39630486
8411,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+5.8809896,250.118,5.8809896,0.289354314,0.306610798,0.108205763,0.213086513,0.279347706,0.49496843,0.052716268,-0.046929077,-0.108727066,0.026794841,-0.023068532,-0.083529169,-0.154039878,0.022129203
8412,C38 H67 Cl N2 O S,C38 H67 Cl N2 O S,634.4757,15.325978,0.936870415,1.045773391,0.601996167,0.855539686,0.863158995,0.892881856,0.847510574,-0.655578866,-0.873679043,-0.395389181,-0.63613185,-0.686003391,-0.640127041,-0.665541227
8413,C31 H69 Cl3 N7 O2,C31 H69 Cl3 N7 O2,676.4581,13.886978,1.565454545,1.632630725,1.337138947,1.64477085,1.345666819,1.673363226,1.432089736,1.790721492,1.995806038,1.546059227,1.908052402,1.606684686,2.020871813,1.642335101
8414,C20 H2 O14 P S2,C20 H2 O14 P S2 Esi+10.072017,560.8623,10.072017,0.802341453,0.894623774,0.601866768,0.665785119,0.790795634,0.761247474,0.77849189,0.327642636,0.402548574,0.238281167,0.308316565,0.343606767,0.379580571,0.294156336
8415,C41 H64 Cl N O4,C41 H64 Cl N O4,669.4525,13.520016,1.425309362,1.344358251,1.522673807,1.366939827,1.450684427,1.432962086,1.425835716,0.639969533,0.650856318,0.62698179,0.635535579,0.631367914,0.672792184,0.618807561
8416,C14 H22 N7 O2,C14 H22 N7 O2,318.202,6.162996,0.304445669,0.144072515,0.394187392,0.223121777,0.273639153,0.098908998,0.359033032,-0.206263818,-0.111519714,-0.319291872,-0.130692744,-0.288767024,-0.056260079,-0.302976755
8417,C19 H38 N O4,Dodecanoylcarnitine Esi+9.912004,343.2717,9.912004,0.25972589,0.410038661,0.035475887,0.344511048,0.103510604,0.546709754,0.076945818,-0.162069661,-0.24338508,-0.065061792,-0.185146067,-0.124581519,-0.311335409,-0.065832534
8418,C32 H56 O12,Cuscutic resinoside A Esi+12.831033,652.3534,12.831033,2.056279353,1.851453518,2.141671161,1.997725085,2.064625864,1.715555877,2.218946381,2.579622725,2.37526426,2.82341879,2.423591021,2.779598032,2.228790746,2.805817028
8419,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.012967 :1,533.3093,9.012967,0.460228279,0.52504424,0.357331874,0.540123757,0.183295689,0.450428669,0.387222141,-0.231940253,-0.314094442,-0.133931746,-0.343829835,-0.082733952,-0.295971381,-0.190657025
8420,C8 H14 O3,C8 H14 O3,157.1093,3.8709877,0.068855267,0.324332643,0.257391144,0.082210636,0.152353857,0.167341598,0.094485977,0.124176771,0.349138436,-0.144198548,0.091332164,0.154801469,0.195557186,0.078155188
8421,C27 H46 O4,"Cholest-7-en-3beta,5alpha,6beta,9alpha-tetrol Esi+16.246035",434.3392,16.246035,1.924616807,1.932075094,1.840009693,2.009202474,1.753177768,2.024280218,1.809979633,-1.299919296,-1.438403788,-1.134709726,-1.389326018,-1.176656103,-1.390345833,-1.241617976
8422,C13 H22 O4,"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one Esi+8.395014",264.1334,8.395014,0.52625072,0.521875115,0.640589136,0.522679954,0.460784562,0.673241761,0.42903971,-0.229117743,-0.213941916,-0.247222237,-0.271408167,-0.167187888,-0.28274091,-0.194544911
8423,C18 H45 Cl N18 O,C18 H45 Cl N18 O Esi+12.634016,564.3771,12.634016,0.130206897,0.37413122,0.149663362,0.057810676,0.250177491,0.021126971,0.226549917,0.330882462,0.604464324,0.0045041,0.217691596,0.44998347,0.285284575,0.3602811
8424,C14 H27 N3 O2,C14 H27 N3 O2 Esi+6.9239874,269.21,6.9239874,0.285656657,0.330867837,0.073501491,0.072783155,0.473620464,0.071435553,0.349825828,0.30686078,0.445656295,0.141280165,0.127626574,0.554686468,0.208609603,0.370206933
8425,C22 H43 N8 O3,C22 H43 N8 O3,467.3452,11.537022,0.734215581,0.660171509,0.815495475,0.791441212,0.605396573,0.697251241,0.680708627,-0.386858285,-0.350042243,-0.430779178,-0.37532595,-0.428456587,-0.335552615,-0.419936941
8426,C14 H18 O4,Helinorbisabone Esi+5.8780107,250.1178,5.8780107,0.016942564,0.096612369,0.274887194,0.003505952,0.023525958,0.195149702,0.207411201,0.000904217,-0.087266309,0.106090108,-3.19E-05,0.014938964,-0.097035488,0.064049553
8427,C13 H22 N2 O,Noruron Esi+7.5989995,222.1731,7.5989995,0.048151506,0.002051367,0.154109502,0.014183294,0.119094973,0.040761825,0.109116737,0.02458341,0.003770829,0.049412453,0.001999935,0.050238248,0.058764633,0.002545516
8428,C46 H76 O16,(25R)-spirost-5en-3beta-ol 3-O-alpha-L-rhamnopyranosyl-(1-2)-[alpha-L-rhamnopyranosyl-(1-4)]-beta-D-glucopyranoside Esi+14.135009,906.4945,14.135009,1.215516568,1.130714388,1.292406077,1.194528872,1.219473388,1.153969292,1.243536338,1.141104055,1.113393171,1.174162653,1.102190945,1.169955856,1.072180141,1.185541842
8429,C41 H76 Cl N6 P,C41 H76 Cl N6 P,718.5517,15.108953,1.209585104,1.376198269,0.910817016,1.244402137,1.218860122,1.519818232,1.116741704,-0.710715525,-0.871584487,-0.518801675,-0.750671403,-0.664075693,-0.818247675,-0.641385586
8430,C27 H55 N5 O P,C27 H55 N5 O P,496.4144,14.9709635,1.387534999,1.41552415,1.243533981,1.455525118,1.185636443,1.343811967,1.352850175,-0.911343856,-1.059239411,-0.734907053,-0.964357063,-0.840295996,-0.878861412,-0.932286484
8431,C33 H24 Cl3 N6 O3,C33 H24 Cl3 N6 O3,656.1136,11.968995,0.678405363,0.667576783,0.592619542,0.639310205,0.680027345,0.584399992,0.689217517,-0.495228153,-0.496929854,-0.493198054,-0.379155235,-0.67452451,-0.383548676,-0.567232027
8432,C16 H32 N6 O5,Arg Thr Leu,410.2286,12.287994,1.888538514,1.787260865,2.280270059,1.886029021,2.158130566,1.718033026,2.159711807,1.680763517,1.38636299,2.031978182,1.48903806,1.956449352,1.380926783,1.874079306
8433,C30 H68 N23 O4 P,C30 H68 N23 O4 P Esi+12.974045,845.5554,12.974045,0.682000103,0.411962427,1.056290018,0.582030462,0.750704808,0.569558419,0.780671578,0.377093721,0.265361782,0.510387964,0.355016718,0.389435891,0.321036439,0.413235916
8434,C41 H71 O7 P,"PA(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+12.918964 :1",728.4856,12.918964,1.47763278,1.443576937,1.562417189,1.418591224,1.548985678,1.45397557,1.546361531,0.733780614,0.754352178,0.709239099,0.739208803,0.710625745,0.759880356,0.716953149
8435,C20 H37 N O2,Linoleoyl Ethanolamide,323.2819,13.660963,1.010803226,1.132941356,0.783247207,1.087450132,0.804227645,1.078495327,0.907060103,-0.494318247,-0.581246558,-0.390614296,-0.556769993,-0.398498819,-0.572052792,-0.444199921
8436,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.693045",831.5686,14.693045,1.524198644,1.481252631,1.343947779,1.529422368,1.34397967,1.41045165,1.458024703,-1.48862992,-1.631264309,-1.318469596,-1.449956068,-1.55018406,-1.469252398,-1.501123322
8437,C22 H45 N8 O,C22 H45 N8 O Esi+14.353023,437.3702,14.353023,0.52717776,0.473380727,0.581114597,0.654023829,0.376189719,0.356173357,0.619004133,0.276009245,0.274629038,0.277655808,0.331322822,0.181824633,0.193936954,0.328924274
8438,C21 H53 N12 O2 P,C21 H53 N12 O2 P,534.3919,15.197999,1.184134117,1.353906053,0.831149517,1.247452669,0.993883682,1.032067323,1.116205758,-0.732063005,-0.904137157,-0.526781561,-0.696840575,-0.794861348,-0.585947174,-0.826269264
8439,C33 H44 O,Citranaxanthin Esi+15.214046,456.3419,15.214046,0.947629813,0.871046862,0.8506501,0.917661944,0.870669699,0.691767407,0.947196004,-0.534182293,-0.569193132,-0.492414976,-0.478959737,-0.625239541,-0.416837938,-0.609838521
8440,C15 H22,beta-vatirenene Esi+8.870986,219.1983,8.870986,1.317200489,1.537538751,1.165686206,1.351574203,1.459470988,1.537364415,1.289782072,-0.82749833,-0.92062365,-0.716401456,-0.851731231,-0.792676379,-0.913092906,-0.772312353
8441,C32 H7 N O15 P,C32 H7 N O15 P Esi+13.88402 :1,675.9566,13.88402,1.877930996,1.868927142,1.989002795,1.904429189,1.938313061,2.013943809,1.876773584,1.016606796,1.042769837,0.985394746,1.026823775,0.986921366,1.082522698,0.974108385
8442,<none>,<none> Esi+13.871026,886.1135,13.871026,0.163855613,0.221114306,0.086849494,0.186611215,0.108400714,0.021967371,0.153026978,-0.011575653,-0.050703665,0.035103378,-0.008628295,-0.035041495,0.060888249,-0.058295801
8443,C19 H35 N O4,CAY10580 Esi+9.685033 :3,341.2562,9.685033,0.571874522,0.533675365,0.652794976,0.602652565,0.627214648,0.638251744,0.603611183,0.472128397,0.497037529,0.442412238,0.493075044,0.435408577,0.503602619,0.451835805
8444,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.135988,468.233,10.135988,1.182561908,1.047640844,1.386331459,1.20124034,1.201315626,1.276118679,1.194784718,1.903901452,1.728363759,2.113314841,1.828345204,1.961160517,1.829028252,1.952174963
8445,C28 H50 N6 O4,C28 H50 N6 O4 Esi+14.591012,534.3889,14.591012,0.594623134,0.67652499,0.272377451,0.509906424,0.541782901,0.341012618,0.598795065,-0.324443122,-0.502960464,-0.111475064,-0.253798123,-0.443433023,-0.164738283,-0.427410715
8446,C21 H22 N4 O6 S,ICI D1694,458.1254,6.3520103,1.794719133,1.729457252,1.68700793,1.69992241,1.743717982,1.508922559,1.854692762,-1.056998777,-1.065429763,-1.046940758,-0.974238028,-1.168930286,-0.976701955,-1.108769096
8447,C25 H4 N4 O16 P,C25 H4 N4 O16 P Esi+13.59797,646.936,13.59797,1.580900975,1.625685994,1.690146914,1.630224776,1.64907763,1.706554136,1.641533834,0.822622927,0.855941947,0.78287392,0.837194423,0.786782968,0.862841232,0.796692704
8448,C30 H59 P S2,C30 H59 P S2,514.3869,15.733951,1.521625398,1.652763575,1.232643148,1.639251784,1.317742254,1.565934424,1.419456494,-1.051055297,-1.245926886,-0.818576909,-1.034660028,-1.085818052,-0.979340827,-1.097292257
8449,C38 H69 N O8,"GlcCer(d14:2(4E,6E)/18:1(9Z)) Esi+9.711998",689.4886,9.711998,0.771031573,0.726280731,0.79884951,1.021115293,0.457888469,0.778227543,0.662041417,-0.451841041,-0.421573688,-0.487949462,-0.480753335,-0.428509016,-0.388931517,-0.492401128
8450,C15 H30 N6 O5,Ser Arg Ile,374.2226,9.89698,0.30947664,0.415372412,0.175047589,0.455680375,0.185214391,0.351509798,0.213485261,-0.159193199,-0.270301171,-0.026643336,-0.214818541,-0.09793704,-0.220417503,-0.119719634
8451,C22 H26 O7,Clusin Esi+9.923995,424.15,9.923995,0.661792899,0.494864386,0.959278998,0.470873817,1.000798845,0.565765881,0.826237759,0.508417312,0.306223033,0.74963154,0.399957777,0.672515479,0.354192256,0.607851888
8452,C21 H33 F O5,9a-Fluoroallotetrahydrocortisol,401.2618,5.4129996,0.48527096,0.432902177,0.555546205,0.720866786,0.294394087,0.619718108,0.399127474,0.189149411,0.175786811,0.205090758,0.249520703,0.095611699,0.264595343,0.14050664
8453,C39 H67 O7 P,"PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+7.600983 :1",677.4562,7.600983,0.545191388,0.382066037,0.790410118,0.647348388,0.441645176,0.314402627,0.636644175,-0.270594141,-0.161803807,-0.4003791,-0.262280027,-0.301525024,-0.124631199,-0.364701827
8454,C32 H54 O4,C32 H54 O4 Esi+16.239992,502.4008,16.239992,2.103970813,2.038590068,1.943390974,1.960372585,2.076408306,1.974549565,2.028823519,-2.132449323,-2.306793782,-1.924459443,-2.008325527,-2.300664188,-2.035398451,-2.195021597
8455,C26 H37 O7 P S,C26 H37 O7 P S,524.2049,6.3959966,0.277085904,0.275859831,0.246840374,0.269175382,0.232559959,0.168152905,0.279648642,-0.24409651,-0.220034185,-0.272802442,-0.151439046,-0.391919963,-0.100373886,-0.336759781
8456,C10 H16 N2 O2,Fasoracetam Esi+4.88799,196.1209,4.88799,1.606658694,1.823633734,1.630512799,1.903822723,1.620223736,2.089572409,1.480693217,-0.667349715,-0.793668534,-0.51665358,-0.72613412,-0.580809013,-0.831585,-0.561461176
8457,C20 H6 N2 O20 P,C20 H6 N2 O20 P Esi+10.0,624.925,10,0.408178809,0.338308212,0.351085835,0.370645596,0.272148303,0.399664737,0.324874164,-0.280348713,-0.27196695,-0.290348008,-0.290727158,-0.266627723,-0.267193928,-0.288830087
8458,C51 H95 O13 P,"PI(22:2(13Z,16Z)/20:0) Esi+13.048014",963.6654,13.048014,0.086653923,0.161102362,0.118576609,0.029125113,0.077479425,0.341961751,0.116179003,0.030851503,0.099861641,-0.05147638,0.047579055,-0.014000125,0.160838203,-0.052955711
8459,C22 H47 O8 P,PG(O-16:0/0:0),470.3015,15.184028,1.37654072,1.488489388,1.214810958,1.220604552,1.467549941,1.098955252,1.495616117,1.027034135,1.099860566,0.940153481,0.93469378,1.134603332,0.862956318,1.132821149
8460,C11 H17 N2 O,CAY10568,192.1262,4.380993,0.077419599,0.173702239,0.59088808,0.013473335,0.309839021,0.165165218,0.398698026,0.024707471,-0.070221136,0.137955635,0.013616019,0.05313882,-0.061100289,0.080030896
8461,C44 H77 O8 P,"PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+9.10099 :1",763.5279,9.10099,0.485754952,0.476513497,0.507636783,0.694204498,0.208620755,0.55241307,0.400251458,-0.39851421,-0.335002759,-0.474282256,-0.468120148,-0.326456227,-0.33950792,-0.436557738
8462,C20 O20 P,C20 O20 P Esi+9.204986,590.873,9.204986,0.042140084,0.235355664,0.180989879,0.143398781,0.229462374,0.057357435,0.050194142,-0.016609074,0.118475115,-0.177762142,-0.138981747,0.139270394,-0.045359515,0.001927395
8463,C24 H32 O8,17?-Estradiol 3-D-glucuronide,470.1993,9.447014,1.752129683,1.580631084,1.880324901,1.719018252,1.774514962,1.81835899,1.719970647,3.179853758,2.930827295,3.476937959,3.133464619,3.209939185,3.260406808,3.127918239
8464,C24 H40 N5 O8,Isodesmosine,525.2805,13.648986,1.259337668,1.384669756,1.053449125,1.270576644,1.146878533,1.247281981,1.193578365,-0.663965559,-0.742017572,-0.570850877,-0.726036608,-0.5729337,-0.775950147,-0.591764969
8465,C19 H38 O4,MG(16:0/0:0/0:0)[rac],352.2587,14.6509495,2.080759812,2.221464423,1.964239958,2.165298359,2.191897503,2.353152358,2.0853593,-1.043523634,-1.18463488,-0.875180393,-1.045775692,-1.041831968,-1.108230678,-1.001804619
8466,C6 H15 Cl3 N5 O2 S,C6 H15 Cl3 N5 O2 S,326.0007,10.440995,0.655760291,0.421922705,0.700606824,0.472717135,0.656470264,0.506249157,0.630329658,0.404341905,0.288406019,0.542651382,0.338665791,0.493449556,0.353980593,0.436811698
8467,C15 H26 N6 O7,Gln Gln Gln Esi+5.6440015,402.1866,5.6440015,0.938315238,0.878828511,0.930938491,0.929232856,0.895311199,0.926579131,0.875235914,-0.900918664,-0.888460812,-0.915780664,-0.836075616,-1.012685934,-0.955583298,-0.865674362
8468,C48 H91 O13 P,PI(22:1(11Z)/17:0) Esi+11.061017,928.5932,11.061017,1.078356705,1.058072268,1.066793743,1.131229618,0.874131282,1.190873265,0.984365006,0.709192724,0.760457737,0.648034463,0.791955903,0.55888108,0.86707386,0.60740094
8469,C33 H38 N4 O7,Oxidized dinoflagellate luciferin,602.2766,8.551018,1.250761223,1.189347276,1.318641279,1.172294816,1.342471292,1.198096513,1.285751526,0.939345861,0.912200418,0.971729898,0.902589745,0.985630305,0.9108332,0.957729024
8470,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.9990153",236.1024,6.9990153,0.305548429,0.201660486,0.379054007,0.454004822,0.156010684,0.212179037,0.285480254,-0.062754409,0.00117686,-0.139023291,-0.028294639,-0.118127105,0.0248051,-0.11920725
8471,C33 H53 N O6,gamma-Chaconine Esi+8.843995,559.3838,8.843995,0.332960752,0.312691206,0.407966602,0.490184041,0.182070776,0.238413021,0.342577822,-0.235111445,-0.167154182,-0.316183268,-0.267575367,-0.217531248,-0.138774533,-0.297223402
8472,C12 H24 N O5,3-Hydroxyisovalerylcarnitine Esi+6.389008,261.1574,6.389008,0.416550884,0.60073907,0.084097336,0.391348893,0.295458469,0.46763919,0.268198163,-0.155223756,-0.245376131,-0.047673554,-0.14429753,-0.14379872,-0.216563161,-0.115675982
8473,C39 H66 O13,Alliosterol 1-rhamnoside 16-galactoside,759.4806,13.654033,0.16398019,0.010177413,0.358672367,0.127280637,0.184560911,0.000697032,0.246694751,0.451336602,0.081788291,0.892201253,0.451025072,0.434881646,0.182280492,0.624806988
8474,C39 H65 O6 P,C39 H65 O6 P,660.4515,10.875982,0.952635967,0.878532251,1.021023996,1.133569145,0.771151828,0.905255415,0.915084208,-0.603338648,-0.55062673,-0.666223041,-0.599563,-0.637459721,-0.472102621,-0.687951349
8475,C27 H50 N7 P,C27 H50 N7 P,503.3865,14.957019,1.397354526,1.458666288,1.123302475,1.291009776,1.27916715,1.211923756,1.369429621,-1.270888793,-1.474381073,-1.028126073,-1.150533618,-1.410059537,-1.172503767,-1.334321243
8476,C28 H44 N7 O20 P3 S,3-Oxopimelyl-CoA Esi+14.468013,922.1418,14.468013,0.886111093,0.835292963,0.729262661,1.070624234,0.498374424,0.812424639,0.829539617,-0.41068688,-0.441251049,-0.374224362,-0.45950262,-0.36536874,-0.376405617,-0.432789272
8477,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+9.311014,440.1465,9.311014,1.520032203,1.587983956,1.490468374,1.53959321,1.475199412,1.363674356,1.615935732,-0.919703327,-1.003905166,-0.81925201,-0.948889394,-0.887525851,-0.920399975,-0.919254172
8478,C23 H3 N2 O17 P,C23 H3 N2 O17 P Esi+14.16204,609.9174,14.16204,1.83464705,1.898515838,1.839053008,1.773281058,1.980161942,1.906143787,1.883044763,1.0985323,1.147797537,1.039759736,1.096722361,1.084462683,1.164833849,1.055785249
8479,C43 H52 N4 O6,Epivoacorine Esi+13.128979,720.3847,13.128979,1.769459183,1.612465779,1.878494521,1.719048566,1.786010587,1.697668622,1.780970169,1.672079761,1.514003304,1.8606622,1.656511733,1.696119573,1.621214239,1.704874636
8480,C48 H85 N15 O S,C48 H85 N15 O S,917.6392,14.894025,0.687931889,0.701304631,0.531225009,0.683113159,0.575664465,0.820402511,0.547124049,0.535236326,0.563766405,0.501200442,0.594761399,0.447444752,0.685208775,0.438543563
8481,C35 H61 N O12,Oleandomycin Esi+14.3830385 :1,687.4202,14.3830385,0.731854654,0.901315383,0.417732225,0.770965934,0.662158554,0.753523028,0.648709441,-0.470762254,-0.647525842,-0.259886394,-0.418397469,-0.559798083,-0.466520514,-0.47349706
8482,C42 H75 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/17:0) Esi+14.201989",738.5197,14.201989,1.120053916,1.335096142,0.5517266,1.207715716,0.924000717,1.21301024,0.949507911,-1.343163928,-1.760453604,-0.845344666,-1.374605938,-1.263350559,-1.676804607,-1.128053491
8483,C20 H2 Cl O23 S2,C20 H2 Cl O23 S2,708.8131,12.5800085,0.655256938,0.475603561,0.789270119,0.663257095,0.510467628,0.325708878,0.79044474,-0.237550157,-0.170824793,-0.317152344,-0.223292067,-0.270757449,-0.097878385,-0.327601693
8484,C18 H31 Cl3 N O25 P,C18 H31 Cl3 N O25 P,796.9988,12.726011,1.187711889,1.122581345,1.130818305,1.163240835,1.042349125,1.090791886,1.144874177,0.58905645,0.629037461,0.541359807,0.640904937,0.507419747,0.639673668,0.556421665
8485,C33 H45 N O10,Hypaconitine,632.3325,13.18898,1.054935922,0.653975233,1.603209725,1.026906708,1.193770705,0.859111715,1.247423517,0.442842278,0.305961672,0.606138441,0.438661246,0.449716574,0.368828512,0.49056168
8486,C33 H62 N16 O3 P,C33 H62 N16 O3 P,761.4961,13.829029,0.854079822,1.070723291,0.431399418,0.835275753,0.81987194,0.828154682,0.807944871,-0.774603516,-1.024307503,-0.476711041,-0.707619745,-0.885725959,-0.76886569,-0.778302904
8487,C35 H56 N3 O11,C35 H56 N3 O11 Esi+13.273987,694.3881,13.273987,0.198201746,0.238387027,0.090190543,0.087454937,0.29876392,0.041790934,0.291109525,-0.121889843,-0.243758078,0.023496823,0.030310905,-0.350323063,0.055631776,-0.236344571
8488,C16 H24 O7,PGDM Esi+6.5209966,328.1493,6.5209966,0.421102863,0.568451093,0.16865388,0.444635611,0.277727223,0.571395603,0.302459858,0.18263497,0.268597103,0.080083653,0.235059023,0.104513246,0.285811446,0.116113295
8489,C40 H79 N O7 P,PC(P-18:1(9Z)/14:0) Esi+14.029036,698.4971,14.029036,0.104079316,0.087238255,0.162185955,0.208994986,0.026310404,0.111636286,0.165196551,0.063335591,0.058897941,0.06862963,0.132477122,-0.033465068,0.064893753,0.062330987
8490,C37 H67 N O4,"N-(2R-hydroxy-15-methyl-3E-octadecenoyl)-4E,10E,12E-sphingatrienine",611.498,16.158985,0.633380359,0.658574893,0.433974106,0.538789059,0.619938035,0.519369579,0.625570793,-0.346749858,-0.407586886,-0.274172351,-0.345920814,-0.36038264,-0.318407939,-0.365022937
8491,C33 H53 N O6,gamma-Chaconine Esi+8.850985,559.3879,8.850985,0.633141425,0.739131852,0.377328394,0.678083124,0.383295044,0.738756284,0.509607078,0.612748369,0.794439944,0.395993508,0.628807614,0.558066839,0.817086813,0.481003846
8492,C8 H23 N8 O4,C8 H23 N8 O4,295.1954,6.0639963,0.146715606,0.04422998,0.343879332,0.203541388,0.117527521,0.039380912,0.221914128,0.082812525,0.042804485,0.130541416,0.064439215,0.08624237,0.018660977,0.124173392
8493,C15 H21 N O7,N-(1-Deoxy-1-fructosyl)phenylalanine,327.1318,0.8730008,0.825600049,0.654982943,0.839053994,0.928292123,0.602142258,0.810370644,0.717287,-0.80065548,-0.74272406,-0.869766648,-0.893977158,-0.680965906,-0.892937047,-0.741158154
8494,C16 H32 O4,"9,10-dihydroxy-hexadecanoic acid Esi+10.9009695",305.2563,10.9009695,1.012228042,0.853324244,1.351028202,0.915858202,1.170181402,0.874463026,1.143235023,0.401365437,0.330793942,0.485555992,0.380490674,0.435191845,0.310705172,0.459817449
8495,C55 H64 N2 S,C55 H64 N2 S,784.479,8.17898,0.118596592,0.043390183,0.365221419,0.1684606,0.061649924,0.064855984,0.2108326,-0.064729313,0.034273895,-0.182838403,-0.060654578,-0.082209914,0.04410606,-0.134899487
8496,C29 H48 N3 O8,C29 H48 N3 O8 Esi+13.160966,566.3414,13.160966,1.15929954,1.18038237,0.863970537,0.98198308,1.091357297,0.988197304,1.101234255,-0.905716515,-1.028421659,-0.759331431,-0.783853591,-1.059368063,-0.892791569,-0.914049704
8497,C17 H28 N6 O4,His Lys Pro Esi+10.214004,380.2167,10.214004,1.961954583,1.677131336,2.072557536,1.844895882,1.943901469,1.629573286,2.033507189,1.821886369,1.607498227,2.077647662,1.75220074,1.915617953,1.693228119,1.904837083
8498,C23 H38 O3 S,Arachidonoyl-1-thio-Glycerol,411.2827,7.324984,0.32688418,0.040625671,0.750596821,0.2841063,0.446192887,0.278434358,0.427825151,0.158291079,0.027045497,0.314864755,0.1664135,0.14862582,0.157225202,0.158978288
8499,C37 H72 N O9 P,PS(P-18:0/13:0),704.489,14.117978,0.81732786,0.610042832,1.095895507,0.852327383,0.734322146,0.867382339,0.774739871,0.412713707,0.325887238,0.516296161,0.458159681,0.375149011,0.462132041,0.380851887
8500,C27 H40 O6,Lucidenic acid N Esi+8.642978,460.2811,8.642978,0.401704785,0.728775267,0.028818183,0.547211571,0.121025892,0.727623556,0.141972475,-0.217513119,-0.357753818,-0.050208425,-0.331087915,-0.048227218,-0.366213812,-0.121640303
8501,C26 H32 O7,Kurarinol,456.2176,12.28802,0.256130111,0.076855526,0.563822749,0.524573363,0.026934936,0.253455363,0.310369961,0.112040403,0.062420241,0.171236385,0.175568795,0.020362546,0.090276578,0.126072342
8502,C30 H49 N2 O S2,C30 H49 N2 O S2,517.3126,11.326005,0.359808984,0.762919682,0.062192792,0.295407723,0.501486678,0.057341653,0.585638369,0.531771192,0.894596139,0.098927395,0.604298335,0.498481647,0.330498535,0.661539089
8503,C13 H26 O3,"3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol",252.1703,9.267003,1.281503815,1.356774009,1.334252497,1.16954845,1.611698904,1.378624067,1.333741901,1.001901573,0.897733057,1.126172785,0.833296821,1.261473595,0.856597905,1.095584201
8504,C16 H26 N10,C16 H26 N10,358.2271,9.50803,0.6275364,0.568860926,0.616130036,0.806928934,0.328339458,0.583671429,0.63271452,0.41269859,0.419320905,0.404798285,0.587321571,0.15466355,0.373818451,0.437766048
8505,C25 H2 N O16 P,C25 H2 N O16 P Esi+13.769029,602.9097,13.769029,1.738263549,1.738632565,1.853548579,1.78466273,1.779202119,1.717878322,1.825323069,1.491928073,1.538020687,1.436940393,1.552154363,1.389221721,1.543892297,1.458424824
8506,C31 H59 N14 O4 P,C31 H59 N14 O4 P,722.4542,14.305986,0.558947364,0.554727976,0.460061279,0.427890778,0.697659008,0.517778174,0.482518647,-0.274071713,-0.27184649,-0.276726366,-0.090345505,-0.56033795,-0.201498274,-0.320862483
8507,C11 H22 O22 P4,"Phosphatidylinositol-3,4,5-trisphosphate Esi+14.070014",629.9537,14.070014,0.396302981,0.42949552,0.212158586,0.465075482,0.293609985,0.246102897,0.411754773,-0.185236538,-0.202328785,-0.164845787,-0.158879228,-0.235460315,-0.054756081,-0.269362095
8508,C28 H58 Cl O2 S,C28 H58 Cl O2 S,493.384,15.179982,1.694009725,1.792283499,1.615146598,1.781503237,1.618956377,1.656342374,1.696441881,-1.389421401,-1.487870285,-1.271973609,-1.353143556,-1.448340287,-1.211419393,-1.504185853
8509,C41 H50 N2 O11,Hedamycin Esi+13.164002,746.3445,13.164002,1.947442554,1.735324402,2.071293438,1.921889982,1.913254286,1.823979116,1.972025263,1.858346291,1.704593909,2.041770185,1.836627343,1.882513576,1.749840448,1.928304005
8510,C25 H51 N28,C25 H51 N28,742.5053,13.658992,1.007048254,0.989412589,0.976171209,0.89380888,1.082130148,0.909465017,1.071004179,0.781773038,0.849095072,0.701459033,0.763756927,0.801593887,0.753714628,0.799863329
8511,C27 H40 N2 O S2,C27 H40 N2 O S2,472.2562,10.5,1.363013968,1.113039285,1.795780222,1.316348031,1.53165869,1.125621189,1.645928741,1.184667388,0.947124202,1.468052242,1.055543374,1.34501546,0.961751014,1.328389788
8512,C29 H60 N22,C29 H60 N22,715.5383,14.745049,0.926753406,0.909044438,0.447084027,0.627214377,0.902722394,0.759150211,0.812909702,-0.930367078,-1.106926518,-0.719734764,-0.693198818,-1.223963935,-0.88974741,-0.956556074
8513,C31 H33 N5 O4,BIBF 1120,556.2839,12.4850025,0.704677941,0.61708324,0.797376399,0.768062303,0.615470994,0.574731297,0.80563609,-0.47671869,-0.350288659,-0.627547499,-0.427789338,-0.521632818,-0.295648364,-0.593461401
8514,C35 H54 O7,18-Dehydroursolic acid 3-arabinoside Esi+12.330005,586.3891,12.330005,1.072137465,0.916500131,1.273597235,1.035513345,1.128063856,1.106158675,1.076974961,0.781419702,0.642237438,0.947461701,0.764280567,0.80428077,0.785399067,0.778854058
8515,C26 H28 Cl N O20 P S2,C26 H28 Cl N O20 P S2,804.0065,13.097976,0.621936879,0.537102376,0.830785416,0.661031824,0.654301111,0.700743272,0.652773832,0.409857311,0.398850071,0.422988756,0.429343578,0.364165089,0.447111644,0.385838071
8516,<none>,<none> Esi+8.7779875 :1,539.8394,8.7779875,0.393184591,0.620621862,0.055282614,0.283097696,0.449748829,0.473868415,0.281752233,0.131467649,0.277541918,-0.042796392,0.084709221,0.174537261,0.209510168,0.081150761
8517,C14 H3 Cl3 N2 O9 S5,C14 H3 Cl3 N2 O9 S5,607.7506,5.7600064,1.736979604,1.754600251,1.646951282,1.529251699,2.051021656,1.647254387,1.853852625,1.069388798,1.160877264,0.960244664,0.92225352,1.290178136,1.033482428,1.092538958
8518,C34 H41 N3 O2,C34 H41 N3 O2,523.3165,12.972009,2.337061944,2.159761564,2.568595141,2.3174701,2.432853744,2.160468349,2.435605703,4.394148971,4.220251155,4.601606015,4.21890482,4.63534441,4.125054562,4.567644051
8519,C16 H21 N O2,norbutorphanol Esi+8.254014,259.1568,8.254014,1.22977024,1.152485635,1.283007467,1.117609994,1.332912745,1.137660603,1.308559659,-0.611309739,-0.57151443,-0.658784845,-0.561766018,-0.675081727,-0.599750536,-0.618762383
8520,<none>,<none> Esi+13.845966,674.801,13.845966,0.271852423,0.236780071,0.216031187,0.226663775,0.253651322,0.043921767,0.377185286,-0.054334032,-0.075046217,-0.029624759,-0.030730499,-0.113636761,0.115737222,-0.163985235
8521,<none>,<none> Esi+8.347016,488.8056,8.347016,0.051969644,0.018104835,0.007049458,0.137438462,0.306158168,0.214448672,0.128884912,-0.049750966,0.003434519,-0.113200316,-0.182075959,0.128701789,-0.125222216,-0.00109187
8522,C45 H68 Cl2 N8 S5,C45 H68 Cl2 N8 S5,950.356,8.188991,0.278749643,0.192194062,0.637778532,0.36295485,0.321869644,0.165783373,0.397813409,-0.053965882,-0.014433456,-0.101127373,-0.079547602,-0.016349811,-0.029525109,-0.069723749
8523,C20 H5 O26,C20 H5 O26,660.906,13.686021,0.973275775,1.230089994,0.483859075,0.877065662,0.983612417,1.098062386,0.862580343,-0.442210122,-0.604556093,-0.248534227,-0.425924357,-0.45000433,-0.530699862,-0.385157527
8524,C41 H56 O2,Vitamin K2 Esi+10.007,602.41,10.007,0.791908641,0.86009886,0.460043341,0.746478805,0.668352382,0.971864998,0.619343358,-0.604814593,-0.730393943,-0.455000632,-0.55383546,-0.650929869,-0.750177128,-0.511094012
8525,C22 H27 F3 O4 S,Fluticasone Esi+9.728021,466.1412,9.728021,0.701146958,0.724803135,0.631290188,0.708300173,0.659944067,0.474663066,0.801851226,0.446974729,0.50928364,0.372641292,0.456199807,0.41670908,0.359257193,0.503529457
8526,C23 H39 Cl N S,C23 H39 Cl N S,396.2495,11.476005,2.337536495,2.168530044,2.593536541,2.296640782,2.515913013,2.200869187,2.500695264,2.663569476,2.43653544,2.934417098,2.573783207,2.764380649,2.519710971,2.756320354
8527,C17 H33 O11 P S4,C17 H33 O11 P S4,572.0646,13.290023,0.559519594,0.65354266,0.225092674,0.686673759,0.204355756,0.484541202,0.465017987,-0.152829418,-0.222871529,-0.069270408,-0.170122094,-0.140523641,-0.125717673,-0.170309358
8528,C20 H45 N22 O P,C20 H45 N22 O P,640.3858,12.722974,0.267543359,0.482030302,0.043563093,0.382930431,0.137300565,0.479693052,0.202177478,0.205842459,0.398310566,-0.023768617,0.231069347,0.139700253,0.319643695,0.132470609
8529,C39 H62 O13,Melongoside F Esi+12.827963,738.4189,12.827963,0.340977099,0.625173589,0.010171153,0.522045325,0.130868889,0.40169584,0.254904051,-0.249414809,-0.487818218,0.034996275,-0.339412828,-0.117322653,-0.316095066,-0.206423591
8530,C30 H48 O10,Deoxycholic acid 3-glucuronide Esi+10.939964,568.3224,10.939964,1.760275856,1.713170909,1.835544533,1.754080366,1.778549531,1.744508528,1.834727254,1.745268654,1.65559688,1.852245507,1.769553076,1.686179533,1.778105482,1.724097541
8531,C51 H93 N O6 S4,C51 H93 N O6 S4,943.5878,14.246022,1.472261219,1.475112961,1.31454097,1.506034839,1.426260493,1.299570419,1.536874624,-1.191255118,-1.344158118,-1.008844522,-1.118709578,-1.302288032,-1.155683883,-1.214189204
8532,C37 H71 N15 O4,C37 H71 N15 O4,789.5762,14.150954,0.10183057,0.200458411,0.601166955,0.159241016,0.086370595,0.103305012,0.12267999,0.24706065,-0.035268492,0.583874364,0.277472193,0.186547241,0.196347156,0.279757508
8533,C20 H29 Cl O2,4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one,336.1895,9.76601,0.346127334,0.142151816,0.653865583,0.281674128,0.40411481,0.258262315,0.401476907,0.256163575,0.048620846,0.50375841,0.216532713,0.30212605,0.16716811,0.31354223
8534,C21 H36 O S,C21 H36 O S,336.2403,9.514005,0.938620125,0.987714587,0.752835583,0.677396096,1.12904859,0.845161536,0.919625606,-0.692677414,-0.660313879,-0.731286545,-0.533715816,-0.916395667,-0.598007958,-0.753714301
8535,C30 H48 F2 O3,"24,24-difluoro-1?,25-dihydroxy-26,27-dimethyl-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26,27-dimethyl-24a-homocholecalciferol",516.3337,10.464013,0.713997298,0.845388595,0.456896607,0.467868412,0.788081791,0.651285703,0.701028526,0.593306505,0.758978643,0.39566255,0.461205996,0.73147876,0.640121797,0.563122961
8536,C14 H32 N7 O11 P S4,C14 H32 N7 O11 P S4,632.0946,11.954005,0.311935484,0.190344685,0.44461893,0.241429247,0.383775505,0.26158794,0.341051825,0.397287809,0.342655938,0.462462673,0.378436074,0.403954603,0.380505449,0.408108015
8537,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.988018,285.2665,9.988018,1.506041828,1.515867911,1.483810572,1.508396337,1.489879011,1.732245395,1.357587272,1.107046002,1.035968247,1.191840517,1.147151602,1.055591858,1.274053534,0.999370093
8538,C29 H38 O2 S,C29 H38 O2 S,448.2424,12.3090105,1.776255035,1.517228029,1.970483125,1.666802559,1.842559974,1.80388054,1.720497473,1.947192639,1.704472584,2.236753406,1.868358037,2.045217701,1.974572038,1.929540132
8539,C14 H2 N O23 P,C14 H2 N O23 P Esi+10.050025,582.8749,10.050025,0.384326246,0.52379317,0.270440935,0.657855299,0.230469948,0.613307344,0.23647089,0.164400237,0.24527504,0.067918016,0.259462147,0.074461741,0.2630083,0.100823986
8540,C37 H58 O12,C37 H58 O12,694.3974,14.4399605,0.277510626,0.472410254,0.018045833,0.165886128,0.463851645,0.079886125,0.423297223,-0.309925842,-0.45442697,-0.137538532,-0.117634254,-0.5142148,-0.061882578,-0.469848473
8541,C22 H50 N21 P,C22 H50 N21 P Esi+9.599017,639.4291,9.599017,0.973967979,0.880173585,1.078756857,1.177581099,0.746324617,0.854520755,0.994840023,-0.532451006,-0.473250795,-0.60307582,-0.573696109,-0.503294444,-0.418658301,-0.605817356
8542,C20 H31 Cl N17 O2 S4,C20 H31 Cl N17 O2 S4,704.1419,12.215014,0.787866402,0.721214849,0.685190818,0.836636803,0.570976149,0.411849525,0.872149575,-0.327082241,-0.317414874,-0.338615241,-0.340703215,-0.327267662,-0.17010545,-0.428290962
8543,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.155023 :1,511.3271,9.155023,0.743289988,0.744952324,0.692862423,0.775003491,0.481960982,0.52607729,0.778060276,-0.61113948,-0.714602492,-0.487709922,-0.839258329,-0.313959291,-0.658431933,-0.580648293
8544,C21 H32 O8,"5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one",434.1924,9.625,0.000313208,0.050227526,0.066387575,0.023710493,0.034576718,0.192186158,0.156715521,0.047659382,-0.036814667,0.14843544,0.097681544,-0.018461318,0.171044967,-0.031891851
8545,<none>,<none> Esi+8.381984 :1,510.8191,8.381984,0.138481157,0.209847783,0.009318438,0.026022207,0.301067861,0.113716119,0.237319613,0.019279325,0.117481012,-0.097873565,-0.064112761,0.128143463,-0.033904655,0.053568995
8546,C19 H40 N2 O S4,C19 H40 N2 O S4,440.2019,8.258011,1.288279653,1.46769045,1.131608169,1.30069848,1.277595098,1.656562324,1.092912928,-1.722754272,-1.886706442,-1.52716221,-1.609560507,-1.847289091,-1.999616293,-1.544251127
8547,<none>,<none> Esi+9.625 :1,465.8023,9.625,0.659855938,0.803251462,0.376988707,0.538624257,0.611619619,0.763953085,0.551941221,0.283848062,0.404416856,0.140011605,0.273989797,0.270505444,0.391311592,0.214562365
8548,C33 H44 O,Citranaxanthin Esi+15.430973,456.3441,15.430973,1.037670217,1.04391134,0.83067229,1.0658271,0.824142446,0.867686597,0.944513446,-0.725908597,-0.843408781,-0.585732939,-0.743468028,-0.715910225,-0.692296986,-0.747579241
8549,C39 H54 N17 O10,C39 H54 N17 O10,920.424,5.8489995,0.711906116,0.667288214,0.681354814,0.268511356,1.249536075,0.481217914,0.853883164,0.60061682,0.608088017,0.591703813,0.325876734,1.016108768,0.477967027,0.67969366
8550,C33 H62 O3 S2,C33 H62 O3 S2,568.4097,15.407974,0.893767966,0.805657031,0.727638524,0.661382665,0.92525104,0.575828931,0.912592059,-0.677371794,-0.703879116,-0.645749023,-0.531697475,-0.886998732,-0.497868023,-0.793104488
8551,C31 H53 N5 O8,Hydroxyhomodestruxin B Esi+10.947017,622.3795,10.947017,0.442987753,0.674497771,0.08857593,0.535076223,0.248585262,0.48969899,0.344336547,-0.143770553,-0.285527545,0.025343051,-0.169975708,-0.114582868,-0.175845945,-0.123090367
8552,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+8.595995",256.1312,8.595995,1.358405656,1.500027536,1.057416139,1.435429419,1.161509647,1.477630804,1.200900662,-0.935939314,-1.012447341,-0.844666579,-0.932483198,-0.931857921,-1.031704467,-0.874195991
8553,C35 H65 N11,C35 H65 N11,639.543,16.056953,0.400775278,0.493330865,0.188734749,0.332568977,0.379133385,0.294613908,0.379882636,-0.145791703,-0.294451302,0.031556591,-0.105041379,-0.221442011,-0.148103558,-0.144301165
8554,C19 H24 O4,Capillartemisin B,338.1493,8.761987,0.781714726,0.631332134,0.994101619,0.6886113,0.928959539,0.778441289,0.809981374,0.448703492,0.360853019,0.553507565,0.379964691,0.551310956,0.421831748,0.466028696
8555,C9 H15 N5 O2,3'-Hydroxyminoxidil,242.1444,7.5200124,0.368678948,0.446275932,0.251747777,0.406551494,0.273115174,0.32494926,0.404511829,0.12258885,0.186945247,0.045812797,0.160205167,0.049064891,0.126467067,0.120088421
8556,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+9.510988",490.3121,9.510988,0.526653702,0.722859494,0.166756655,0.344060498,0.593770544,0.379722373,0.526736778,0.680671733,0.955212803,0.353149053,0.639807095,0.725169538,0.705141108,0.664895426
8557,C18 H24 O7,Coriandrone D Esi+5.470991,352.1499,5.470991,0.684384484,0.861500934,0.513283273,0.881723168,0.535709426,0.638099148,0.759272635,0.472160641,0.61607587,0.300472297,0.585889869,0.365596894,0.445504077,0.48934711
8558,C29 H39 N5 O8,Tigecycline,602.3039,14.554986,1.904079616,1.764691548,2.085200451,2.000965949,1.833082814,1.995046758,1.867033665,1.477276567,1.451291875,1.508275849,1.531606259,1.396999779,1.546829165,1.432433445
8559,C22 H39 N O5,PGF2?-EA Esi+10.657978,397.2846,10.657978,1.568315007,1.524876911,1.509173952,1.541750535,1.536568937,1.471764725,1.610022689,-1.375353718,-1.359335425,-1.39446326,-1.327777753,-1.46465706,-1.261444708,-1.448795053
8560,C23 H47 N8 O3 P,C23 H47 N8 O3 P,514.3522,14.280025,0.329309234,0.664177839,0.075284914,0.354077489,0.195367004,0.386120351,0.263852599,-0.218106374,-0.516367963,0.13771447,-0.184855629,-0.172731154,-0.289126716,-0.172316943
8561,C33 H56 O10,"Cholestane-3,7,12,25-tetrol-3-glucuronide Esi+13.395997",634.3703,13.395997,1.129462528,0.888930153,1.438464337,1.299025275,0.95807753,1.140988628,1.107452154,0.65924873,0.521114132,0.824040881,0.708578672,0.584529742,0.682093421,0.644519915
8562,C17 H32 N2 O9,C17 H32 N2 O9,408.2131,9.524009,0.347910015,0.369096539,0.279714083,0.288411156,0.424788426,0.063108055,0.45291386,-0.197089103,-0.272956293,-0.106580875,-0.065413597,-0.386961183,0.065741378,-0.366545597
8563,C10 H10 O2,2-Phenylbutyrolactone Esi+13.052001,162.068,13.052001,1.576493211,1.661061839,1.429734074,1.525028411,1.672705655,1.62028392,1.589701741,-0.943757661,-1.078430443,-0.783095394,-0.951122893,-0.928034956,-0.970410307,-0.926573718
8564,C38 H42 N2 O6,Cycleanine Esi+13.834977,622.3061,13.834977,0.381556505,0.47210027,0.175803577,0.335146683,0.348431728,0.466375432,0.266382293,-0.218156195,-0.259974671,-0.168267486,-0.153999781,-0.298312375,-0.271279057,-0.183905928
8565,C17 H30 N6 O4,Val His Lys Esi+10.534991,382.233,10.534991,1.776329748,1.481214331,2.112331552,1.498705238,2.030163554,1.463938367,1.971506385,2.447464652,2.137928132,2.816736291,2.204521292,2.765957579,2.107052273,2.666941054
8566,C19 H19 N O6,Gravacridonetriol,356.114,5.5770144,0.322105501,0.278337384,0.332955171,0.19095662,0.345675527,0.454593267,0.199240225,-0.297135569,-0.432463142,-0.13569215,-0.341987287,-0.225093283,-0.583802269,-0.112310987
8567,C35 H54 O6,Hericenone F Esi+9.084984,587.423,9.084984,0.739419188,0.763695343,0.742484524,0.915564236,0.527990506,0.843425498,0.640866079,-0.559030343,-0.531128072,-0.592317262,-0.604066777,-0.514792237,-0.525537922,-0.58062414
8568,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+15.261975",436.3502,15.261975,0.45550749,0.505140871,0.302463588,0.450276425,0.303908486,0.581764474,0.308556926,-0.471918382,-0.528623424,-0.404270262,-0.547012663,-0.337382251,-0.630919553,-0.369404469
8569,C24 H36 O10,Plantaricin BN Esi+9.193988,484.2281,9.193988,0.846712259,0.794130832,0.755852702,0.778953654,0.860982112,0.950652782,0.730453434,0.735568298,0.734885197,0.736383225,0.689444225,0.783435658,0.853588273,0.659476472
8570,C9 H20 O3,2-Hexylglycerol Esi+10.017985,198.1229,10.017985,0.086095344,0.006678331,0.200615743,0.148095165,0.400686314,0.13607778,0.192374066,0.027045634,0.063904714,-0.016926602,0.22255784,-0.227316534,0.182013734,-0.07286801
8571,C15 H21 N5 O4,Isopentenyl adenosine Esi+6.886991,352.1849,6.886991,0.816325893,0.841615749,0.766410671,0.996377902,0.820815933,0.948831763,0.778112035,-0.25303832,-0.235284819,-0.274217935,-0.220936784,-0.276813238,-0.24417948,-0.258749941
8572,C29 H46 F2 O2,"24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 Esi+8.345976 :1",486.3285,8.345976,0.90617753,0.988756936,0.808952822,1.102225322,0.602611009,1.236127449,0.666513488,-0.654774837,-0.63902447,-0.673564749,-0.799836549,-0.457243514,-0.730653295,-0.6058532
8573,<none>,<none> Esi+5.7580094 :1,473.7121,5.7580094,1.164793671,1.319776947,1.078140851,1.185894003,1.190749839,1.207955298,1.204292907,1.221252778,1.361924864,1.053433447,1.184961347,1.258408597,1.197537648,1.236542796
8574,C18 H37 N O,Stearamide Esi+15.277037,283.2872,15.277037,2.40320561,2.48027384,2.258046566,2.519858188,2.363538677,2.560364761,2.352108256,-1.420518681,-1.581690677,-1.228243317,-1.442901451,-1.381918142,-1.487588355,-1.377276391
8575,C13 H14 O2,3-(3-Methylbutylidene)-1(3H)-isobenzofuranone,202.101,6.2899995,0.971391388,0.806291135,1.009044093,0.813505413,1.047340646,1.034990313,0.845481505,1.737988583,1.648516256,1.844727499,1.653508498,1.849782691,1.907069409,1.628975945
8576,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+9.036007",427.3117,9.036007,0.607679336,0.573159276,0.618559154,0.801151643,0.262054314,0.627938572,0.506311206,-0.367006174,-0.32991612,-0.411253958,-0.495480858,-0.223858344,-0.371604291,-0.364041599
8577,C21 H51 N5 O11 P,C21 H51 N5 O11 P,580.3246,13.440982,0.871958626,0.932232195,0.596951296,0.738987796,0.880052311,0.571964926,0.975340662,-0.936104183,-1.164169739,-0.664025975,-0.777718644,-1.129703914,-0.743517236,-1.060272082
8578,C18 H34 O3,12R-HOME(13Z) Esi+15.231996,298.2506,15.231996,1.68614055,1.840502268,1.382033537,1.752425383,1.477591431,1.811513673,1.55925149,-1.445665985,-1.692521864,-1.151171252,-1.499891225,-1.341635864,-1.481710559,-1.42242672
8579,C29 H59 O11 P,PI(O-20:0/0:0),636.3608,16.513968,0.228975387,0.290004985,0.003014598,0.238238379,0.135702915,0.273321387,0.140324425,-0.033519525,-0.051533204,-0.012029522,-0.012252734,-0.079323832,-0.042951299,-0.027438513
8580,C27 H43 Cl N6,C27 H43 Cl N6,486.3231,12.51702,1.207065744,1.35679224,1.041461017,1.306790937,1.05447938,1.328541634,1.173670818,0.794733846,0.949431324,0.61018247,0.901221563,0.644813922,0.927760745,0.708966504
8581,C41 H76 N2 O15,Roxithromycin Esi+7.864992,858.5161,7.864992,0.061819067,0.203767589,0.214408604,0.072637004,0.128842319,0.107547818,0.00611875,-0.022317919,0.120768829,-0.1930179,-0.069341997,0.007615825,0.062270305,-0.076855063
8582,C18 H36 O5,"9,10,13-Trihydroxystearic acid Esi+13.493969",354.2394,13.493969,0.124751146,0.03024174,0.227561406,0.072875017,0.047347465,0.076705114,0.092899881,-0.065055794,0.01349015,-0.158759727,0.000992597,-0.171857448,-0.018728539,-0.094924682
8583,C24 H41 N O,5-Decanoyl-2-nonylpyridine Esi+11.321026,359.3205,11.321026,1.032265435,0.90942135,1.032591577,0.821784778,1.203096159,0.58427921,1.21695876,0.502197697,0.466077599,0.54528834,0.424673107,0.622392281,0.338332438,0.607847667
8584,C9 H20 O5,C9 H20 O5 Esi+4.1790047,208.1304,4.1790047,1.664549079,1.752800077,1.551182899,1.638033062,1.765100417,1.543694831,1.687468748,0.59721043,0.610119008,0.581810723,0.566578449,0.65888158,0.613209392,0.58689531
8585,C17 H19 N O3,(-)-Morphine Esi+10.479003,285.1363,10.479003,0.139235062,0.158730483,0.184161753,0.014882609,0.286846162,0.275412134,0.158826247,0.344864541,0.318688551,0.376092038,0.358878272,0.336110335,0.474105016,0.261538446
8586,C44 H59 N8 P,C44 H59 N8 P,730.4758,12.913022,1.114903441,1.283249945,0.855074441,0.826257405,1.304755058,1.155804863,1.047229159,0.977202686,1.198340776,0.713388825,0.845161971,1.141984341,1.069319632,0.917811498
8587,C11 H17 N,dimethylamphetamine,163.1357,6.7800198,1.63814908,1.718034292,1.429903951,1.501583689,1.810586691,1.544249874,1.679472632,-0.577249284,-0.629879804,-0.514461997,-0.520956224,-0.655682743,-0.519194197,-0.614679537
8588,C13 H25 N O3,C13 H25 N O3 Esi+7.6099873,243.1833,7.6099873,0.013497188,0.014083935,0.028560403,0.001914497,0.075925097,0.264834909,0.142812301,0.05388164,0.063884936,0.041947884,0.140641539,-0.07875801,0.24567355,-0.06977367
8589,C35 H52 O9,Avermectin A2a aglycone,633.3931,7.241978,0.993490228,0.717968161,1.419747647,1.027486908,1.063152877,0.781946025,1.137288132,-0.765464782,-0.4405225,-1.153115223,-0.696559183,-0.88286728,-0.444246664,-0.972565936
8590,C27 H44 N20 O S,C27 H44 N20 O S Esi+12.507012,696.3707,12.507012,0.514979144,0.292127017,0.835781011,0.669015512,0.359421222,0.492611405,0.569124791,0.67083366,0.435437038,0.951657701,0.836485527,0.496405159,0.596124411,0.719001465
8591,C23 H49 N S,C23 H49 N S Esi+13.374019,371.3574,13.374019,0.812313294,0.765368247,0.663053917,0.772637632,0.719654223,0.559278522,0.838651593,0.677854741,0.705556645,0.644806854,0.671013016,0.697985614,0.586562782,0.73671403
8592,C20 H18 N2 O5,N-Caffeoyltryptophan,366.1236,12.349039,1.682749335,1.704692024,1.726095641,1.790573339,1.664828989,1.632830267,1.756985934,-1.042797659,-1.062988765,-1.018710025,-1.087950965,-0.961026687,-1.109876658,-0.999549358
8593,C18 H48 N16 O3 S,C18 H48 N16 O3 S,567.3492,10.993985,0.847737285,0.907060124,0.5398401,0.861490967,0.710597103,0.685817513,0.838341517,-0.349311208,-0.445042818,-0.235105076,-0.329701567,-0.393909988,-0.246515152,-0.415587612
8594,C19 H32 O7,9-Hydroxy-7-megastigmen-3-one glucoside Esi+9.852024,372.2116,9.852024,0.82366961,0.615859796,1.115055987,0.589324627,0.936002789,0.709849029,0.814084773,-0.589889034,-0.342147552,-0.885440276,-0.351690452,-0.949175282,-0.459841172,-0.673735681
8595,C21 H36 Cl N,C21 H36 Cl N,336.2265,11.461008,0.094125413,0.185185714,0.067297219,0.167814403,0.059059658,0.191915592,0.210804315,0.01140687,-0.073578116,0.112792466,0.124315417,-0.134900204,0.323750886,-0.189972825
8596,C16 H23 N3 O6,Thr Ser Phe,352.1498,7.64798,0.286505687,0.542098941,0.177258186,0.360040896,0.083995371,0.799704901,0.041639437,0.089358913,0.214165455,-0.059533102,0.169723462,-0.009926903,0.268943467,-0.026425866
8597,C10 H14 N6 O4,C10 H14 N6 O4,280.1306,4.9219975,0.863199824,1.094502744,0.624358811,1.003776892,0.756801524,1.286179655,0.627739815,-0.731318781,-0.902235288,-0.527418386,-0.867097812,-0.545543985,-1.011755597,-0.550510833
8598,C25 H49 N O7 P,"PC(17:2(9Z,12Z)/0:0)",523.3634,13.218014,0.586388602,0.545517681,0.711629068,0.510911443,0.700117771,0.547586566,0.712178285,0.276464936,0.277449193,0.275290735,0.284207309,0.254973032,0.284264461,0.271436296
8599,C39 H72 N O10 P,"PS(15:0/18:2(9Z,12Z))",762.5083,15.076985,0.689184083,0.807038815,0.335132759,0.618726103,0.635051478,0.599818232,0.675348026,-0.766771236,-0.926719694,-0.575955532,-0.696890119,-0.810254105,-0.716328616,-0.799293451
8600,C11 H23 N3 O2,"n1,n8-diacetylspermidine",229.1783,3.508992,1.417069806,1.433210946,1.412774436,1.353961423,1.557872313,1.399259551,1.452469436,0.683224288,0.78761982,0.558682249,0.666942507,0.714632799,0.711528901,0.664975261
8601,C10 H21 N,Isopentylideneisopentylamine Esi+5.9210114,177.1514,5.9210114,1.531432311,1.731337155,1.500197341,1.631676717,1.801119048,1.850893648,1.57941649,-0.580205257,-0.622393914,-0.52987493,-0.514600831,-0.679156189,-0.5371341,-0.607974818
8602,C11 H12 N2,Desoxypeganine,189.1265,4.931015,1.478210069,1.423718911,1.396284416,1.427130106,1.454213036,1.5159765,1.393213006,-0.86699642,-0.872895832,-0.859958524,-0.864920888,-0.874443993,-0.879580425,-0.858883048
8603,C29 H57 N O3,C29 H57 N O3,467.4326,13.414006,0.643425627,1.04428468,0.087118359,0.600559893,0.481206487,1.014181063,0.316031934,-0.146800269,-0.299152823,0.034953655,-0.151312707,-0.125417168,-0.289325334,-0.054909109
8604,<none>,<none> Esi+13.008033,647.7622,13.008033,1.188624117,1.184580667,1.113896141,1.15692981,1.155083923,1.181890713,1.148957142,0.537683341,0.566048977,0.503843635,0.51608291,0.550222622,0.546563758,0.531957809
8605,C34 H70 N21 O S,C34 H70 N21 O S,820.5609,14.146977,0.659045068,0.522774445,0.786248894,0.901631915,0.343923747,0.677188249,0.591376376,0.813893084,0.758445898,0.880040605,1.135463918,0.407081099,0.93486425,0.735898517
8606,C23 H29 N6 O24 P S,C23 H29 N6 O24 P S,836.0696,12.606994,0.002526752,0.138264597,0.289464268,0.008875931,0.1089011,0.098447119,0.00933717,0.059256468,-0.00400129,0.134721864,0.066946101,0.028308443,0.103760684,0.030562961
8607,C12 H22 N2 O8,N6-Galacturonyl-L-lysine Esi+7.3489995,322.1393,7.3489995,0.255218688,0.051219443,0.415709005,0.127191043,0.326235799,0.308099083,0.195502013,-0.162262545,-0.085984442,-0.253260983,-0.136714042,-0.208785931,-0.239921531,-0.112192936
8608,C12 H19 N8,C12 H19 N8,274.1853,0.8860013,0.032611353,0.051335497,0.377717857,0.274290416,0.497898916,0.188062401,0.341012249,0.21536457,0.152086217,0.290854534,0.126943073,0.31735113,0.067110063,0.310949712
8609,C17 H33 N10 O2,C17 H33 N10 O2,409.2762,10.218012,0.73156899,0.782045746,0.544633269,0.726491842,0.563288209,0.759115864,0.590371065,-0.531279596,-0.623009694,-0.421847199,-0.534069985,-0.504935867,-0.609308411,-0.480971545
8610,C24 H8 N2 O23,C24 H8 N2 O23 Esi+12.135009,691.9516,12.135009,1.895591353,1.910732933,1.728095907,1.898953221,1.745509318,1.801846652,1.877593759,1.623251198,1.693545268,1.539391606,1.648024456,1.561339968,1.639599914,1.612710578
8611,C38 H5 Cl N7 O5 P,C38 H5 Cl N7 O5 P,704.9775,14.157974,1.590523269,1.670639798,1.522884158,1.549876885,1.589575011,1.665562755,1.570893693,0.958881062,1.016674993,0.889933916,0.987456788,0.917146472,1.02533429,0.916036218
8612,C26 H44 O9,Mupirocin Esi+11.582009,500.298,11.582009,2.326364236,2.151679164,2.368833358,2.353306892,2.192556964,2.209202409,2.295375581,3.824133022,3.622826743,4.064287881,3.863776412,3.750525514,3.828029074,3.821621094
8613,C20 H25 N5 O6,Glu His Phe,448.2076,12.395997,1.863237245,1.526746912,2.279823919,1.959069646,1.926352218,1.842665762,1.927497856,1.39489681,1.084749325,1.764897317,1.32337262,1.541387272,1.184347203,1.530645898
8614,C25 H42 O6,"3beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol Esi+13.17897 :1",438.2926,13.17897,0.056823682,0.191345417,0.204729031,0.187122448,0.122428145,0.06670616,0.031432243,0.062950082,0.002732352,0.134788778,0.041757848,0.068698046,0.064754562,0.061786668
8615,C24 H28 O5,"alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone Esi+11.017005",396.1972,11.017005,0.317221758,0.498717351,0.066537735,0.121316105,0.328584021,0.354751787,0.188151688,-0.139141903,-0.355717241,0.119228676,-0.060907041,-0.269211262,-0.266777436,-0.056850572
8616,C43 H75 O8 P,"PA(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+8.588005",749.5125,8.588005,0.526937339,0.433664776,0.673650322,0.684609144,0.251234827,0.446726585,0.513776845,-0.308307159,-0.212673454,-0.422396491,-0.328965952,-0.297734924,-0.19732088,-0.379864102
8617,C39 H63 N O11,gamma2-Solamarine,721.4454,7.4040165,0.921930844,0.726082548,1.249744848,0.975475245,0.947230113,0.726230085,0.994901087,-0.981516688,-0.654955779,-1.371098123,-0.90619692,-1.116571996,-0.680224121,-1.175771106
8618,C23 H24 N7 O2,C23 H24 N7 O2,430.2044,8.472016,0.187172144,0.387460299,0.010018321,0.269895864,0.014477007,0.690717982,0.191301137,-0.031863935,-0.058341976,-0.000276096,-0.10192112,0.058398536,-0.21059575,0.083371051
8619,C20 O18 P,C20 O18 P Esi+13.969975,558.8835,13.969975,1.853454485,1.916493791,1.907737268,1.868449987,1.959318082,2.003013891,1.88168174,1.054398763,1.105359153,0.993603911,1.059695359,1.029150667,1.110010406,1.018543887
8620,C26 H59 N12 O6 S,C26 H59 N12 O6 S,666.4028,10.93799,0.704597449,0.762051784,0.577733917,0.711921999,0.677986988,0.57179616,0.759617025,-0.371389348,-0.398208566,-0.339394491,-0.34176363,-0.407343317,-0.271353477,-0.43588616
8621,C36 H65 O8 P,"PA(20:3(8Z,11Z,14Z)/13:0) Esi+12.718014 :2",655.4047,12.718014,1.570175212,1.56049721,1.67706566,1.598421321,1.585201177,1.545852565,1.677250968,0.72017078,0.763301267,0.668716865,0.739270056,0.676454696,0.743698178,0.705001799
8622,C10 H21 N,Isopentylideneisopentylamine Esi+5.458993,177.1517,5.458993,0.109996153,0.054953239,0.282276939,0.062633162,0.192275544,0.031504922,0.207276986,0.056159948,0.030143127,0.087197558,0.061792128,0.057297452,0.049943827,0.06016771
8623,C40 H32 O23,"Maclurin 3-C-(2'',3'',6''-trigalloylglucoside)",902.1085,12.435037,0.186301683,0.175281371,0.109942112,0.282813579,0.033746724,0.035440181,0.220560652,-0.041015438,-0.051471874,-0.028541093,-0.05736925,-0.043397562,0.016641822,-0.078189197
8624,C35 H56 N7,C35 H56 N7,574.4587,15.139965,1.855722698,1.927629952,1.644065497,1.863160129,1.774199684,1.676122439,1.900448568,-1.76917803,-1.931156522,-1.575940532,-1.760586438,-1.787376639,-1.581490432,-1.89018714
8625,C10 H15 N7 O2,C10 H15 N7 O2,265.1251,4.617994,0.393068702,0.537758793,0.182094838,0.426347571,0.313748379,0.228547502,0.477355305,0.31695038,0.456868414,0.15003062,0.367835514,0.256547802,0.187219088,0.400592924
8626,C27 H44 O8,"(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi+14.093014",496.3068,14.093014,0.908883358,0.759789287,1.065417148,1.044227398,0.71976798,1.04964223,0.819499069,0.545801296,0.451767196,0.657982326,0.596580265,0.47311674,0.60015803,0.510755507
8627,C26 H30 O8,Isobutyrylmallotochromene,470.1987,9.449988,1.909793405,1.75643803,2.014104642,1.936453378,1.864112734,1.922283449,1.903065486,3.602955234,3.435683714,3.802507223,3.488624074,3.71565147,3.575150114,3.62088222
8628,C16 H36 N,Tetrabutylammonium Esi+12.065986,241.2767,12.065986,1.501468696,1.403380639,1.426560254,1.553125553,1.210224269,1.319013914,1.465325322,0.776611304,0.765017054,0.79044304,0.837636493,0.698255755,0.751806919,0.792603605
8629,C16 H22 N6 O3,C16 H22 N6 O3,345.2142,9.385988,0.302709265,0.128066858,0.490102561,0.264290063,0.418878396,0.070393362,0.437352622,0.210516223,0.061723563,0.388023256,0.124555312,0.335867671,-0.010284151,0.352874359
8630,C22 H35 N O8,"Mebeverine metabolite (1-Butanol, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]- glucuronide)",458.2607,14.183035,0.581509867,0.537181307,0.779972751,0.752578465,0.459301204,0.920685118,0.444179061,0.39093933,0.359977414,0.427876352,0.469080043,0.263663848,0.544765059,0.291762215
8631,C37 H56 N5,C37 H56 N5,570.4501,14.2240505,0.945764217,0.826229996,1.104023944,0.936393723,0.93371104,1.023416184,0.895410181,0.658953413,0.603625999,0.724958048,0.672420183,0.626944023,0.703591197,0.63017379
8632,C18 H32 O4,8-HpODE Esi+12.852033,312.2276,12.852033,0.218109713,0.067131527,0.421996832,0.107586507,0.366834268,0.05553819,0.376533027,0.232980566,0.022959827,0.483531624,0.14572871,0.398195099,0.014504958,0.37383984
8633,C35 H56 O10,Madlongiside C Esi+14.576971 :2,636.386,14.576971,0.204427318,0.033415504,0.532631604,0.137371082,0.275538142,0.347034879,0.143847674,0.268654267,0.144951349,0.416229678,0.271811405,0.242881875,0.355974669,0.212355587
8634,C8 H18 O3,"(3R,7R)-1,3,7-Octanetriol Esi+3.8690028",184.1071,3.8690028,1.134921475,1.22462584,1.012589135,1.082709479,1.268674427,1.428405464,1.032285754,0.904365556,0.884564683,0.92798765,0.926733077,0.903389654,1.036902462,0.81891413
8635,C48 H68 N3 O3 P,C48 H68 N3 O3 P,765.4996,12.375981,1.240980533,1.10698501,1.401654166,1.254111607,1.182017115,0.988802445,1.444412095,1.390764151,1.370125033,1.415386257,1.359552895,1.390848711,1.179754181,1.526810053
8636,C25 H49 O7 P,PA(22:1(11Z)/0:0) Esi+15.2270355,492.3176,15.2270355,1.027847955,0.974468888,1.268000791,1.353101545,0.887027621,1.265314505,0.999980112,0.643456174,0.623512316,0.667248847,0.696320937,0.550078887,0.703128039,0.604983524
8637,C32 H7 N O16 P,C32 H7 N O16 P,691.9509,11.29002,0.827722417,0.836401637,0.860614291,0.803989798,0.778483163,0.823815795,0.85859786,0.579826551,0.600717432,0.554904096,0.629984353,0.484619726,0.645457418,0.537511913
8638,C38 H66 N26 O2 S,C38 H66 N26 O2 S,950.5528,14.353023,0.468323929,0.527411296,0.307447978,0.496959966,0.42749072,0.463413444,0.40544483,-0.313384785,-0.42946534,-0.174902721,-0.266890063,-0.406757639,-0.372258623,-0.275426653
8639,C34 H52 O10,Physagulin D Esi+14.458007,620.3609,14.458007,0.389880559,0.126546738,0.822623769,0.374703762,0.489142118,0.523119257,0.410937782,0.310133231,0.183357798,0.461374098,0.324793039,0.266438574,0.407971689,0.247053172
8640,C28 H10 N4 O18 P,C28 H10 N4 O18 P Esi+12.517025,720.9729,12.517025,1.509423855,1.385602492,1.441978693,1.452648594,1.359568007,1.416914732,1.445570061,1.127362759,1.145667827,1.105525134,1.149369102,1.074116959,1.183298408,1.091298985
8641,C39 H64 O12,Smilanippin A,723.4331,11.112038,1.011224152,1.14054627,0.671074349,0.869390093,1.12561322,1.064117595,0.98788961,-0.485407226,-0.595192025,-0.354435886,-0.44557393,-0.561586916,-0.536860598,-0.452233341
8642,C19 H2 N O17 P S2,C19 H2 N O17 P S2,610.8498,12.874019,0.623913425,0.374593685,1.043472527,0.735702431,0.606431901,0.357925599,0.803478404,0.422965595,0.258910497,0.618680449,0.462615914,0.406877662,0.234721434,0.544333542
8643,<none>,<none> Esi+14.006034,566.7332,14.006034,0.503022943,0.689666828,0.088533354,0.570845111,0.327660774,0.551437193,0.45822797,-0.211546585,-0.357406002,-0.037538858,-0.206637239,-0.182142636,-0.259176422,-0.180837874
8644,C47 H78 O16,Melilotoside C,915.5569,13.996013,0.98166575,0.996020186,0.731260586,1.008024149,0.835257908,0.83239091,0.979430763,-0.593958738,-0.701711382,-0.465411724,-0.542979505,-0.682938977,-0.507554437,-0.649666774
8645,C32 H50 O10,13-Deoxytedanolide Esi+11.1530075,616.322,11.1530075,1.418125277,1.108532849,1.850223822,1.399087256,1.520330557,1.302709609,1.556391997,0.658891756,0.541991142,0.798352137,0.666036829,0.642598804,0.625405549,0.680481547
8646,C27 H56 N O7 P,PE(22:0/0:0) Esi+10.083007,536.3715,10.083007,0.849698963,0.852329265,0.745765383,1.026608375,0.591920233,0.80275406,0.769702059,-0.485456919,-0.530467271,-0.431760359,-0.495660849,-0.477188553,-0.442766083,-0.512981274
8647,C12 H2 Cl3 N4 O13 P S3,C12 H2 Cl3 N4 O13 P S3,641.7608,13.658998,1.300100202,1.171750993,1.567900417,1.272993424,1.426856402,1.330984218,1.359363748,0.791620565,0.796160083,0.786205,0.772828307,0.794376691,0.844903907,0.757266832
8648,C20 H32 O7,Cinnzeylanol Esi+9.879016,384.2131,9.879016,1.283007672,1.199589,1.329774054,1.279936801,1.258019281,1.053407111,1.371445255,-1.421910137,-1.426993352,-1.415845951,-1.28254172,-1.616586245,-1.288780451,-1.507743751
8649,C25 H35 N O4,17-phenyl trinor Prostaglandin E2 ethyl amide,413.2617,6.6259856,0.677767647,0.407948508,1.054154905,0.634490111,0.873601598,0.387824762,0.907860408,-0.46693189,-0.260547489,-0.71314486,-0.387536815,-0.6060533,-0.232359714,-0.618169214
8650,C48 H85 O9 P,"PG(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.458007",858.5791,14.458007,1.322712047,1.273619149,1.137523018,1.276499109,1.204213109,1.13793508,1.306698004,-0.775308585,-0.859658222,-0.674680948,-0.736944911,-0.835423337,-0.703427814,-0.821652767
8651,C24 H40 N6 O6,C24 H40 N6 O6 Esi+12.993996,508.3016,12.993996,1.992290344,1.873719631,1.918663993,1.761014122,2.099946479,1.852994904,1.987414328,2.774713043,2.596182296,2.987697092,2.616834963,2.996874542,2.723419985,2.807783568
8652,C47 H80 O17,Gynosaponin I Esi+13.815982,933.5691,13.815982,0.035666355,0.012478334,0.191260833,0.149942559,0.01606376,0.060272759,0.071980266,0.110966556,0.01785986,0.222041211,0.196801554,-0.043260499,0.130977889,0.098064512
8653,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+9.637966 :1,870.5513,9.637966,0.55064843,0.752007773,0.284212035,0.571478261,0.336604838,0.859476071,0.351617065,0.292938449,0.412083712,0.15080024,0.372086726,0.16028108,0.5009388,0.158832959
8654,C32 H46 N8 O5,NAc-FnorLRF-amide Esi+8.318977,639.382,8.318977,0.205030918,0.594640657,0.38596575,0.42828098,0.241675985,0.697041401,0.18047815,-0.096383205,-0.2721851,0.113345371,-0.215815266,0.095320581,-0.292576207,0.030109651
8655,C45 H76 N O6 P,1-(8-[5]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine,757.541,8.140993,0.582103148,0.661178939,0.455662872,0.660468126,0.3903348,0.847937087,0.397798958,-0.435218718,-0.504248588,-0.352867294,-0.421694024,-0.470725467,-0.572050019,-0.346998537
8656,C22 H25 N2 O S,Trimethaphan,342.1748,9.358997,0.123138817,0.257139787,0.015400645,0.187149371,0.018345946,0.222945725,0.048870584,-0.050579882,-0.154819989,0.073776735,-0.148202339,0.071178622,-0.083468597,-0.029375317
8657,C21 H32 O4,9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one Esi+9.957008,343.2714,9.957008,0.343135771,0.233836003,0.442315186,0.272480776,0.338113039,0.347318774,0.336527719,0.296788004,0.227214708,0.379787725,0.298078876,0.289460976,0.345828294,0.265169922
8658,C38 H58 N11 P,C38 H58 N11 P,699.4657,12.604003,1.534958644,1.310701891,1.469799924,1.347472041,1.377892424,1.200681835,1.519108713,2.516098003,2.430327791,2.61842036,2.520682483,2.483522144,2.39350264,2.59513975
8659,C36 H53 N9 O4,C36 H53 N9 O4,673.4035,12.974026,0.132736014,0.0505692,0.319439635,0.034321287,0.209794861,0.083109592,0.16829507,-0.162822254,-0.027836211,-0.323858234,-0.102812267,-0.267799048,-0.090672507,-0.209339853
8660,C19 H30 O6,"5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid Esi+9.495011",354.2091,9.495011,1.904315169,1.723184778,2.045971205,1.720161076,2.10399969,1.700543434,2.03116523,2.060804756,1.902589708,2.249552533,1.932699426,2.215990379,1.887570718,2.172495122
8661,C32 H52 O3 S2,C32 H52 O3 S2,548.3365,11.491966,1.580998674,1.642058865,1.369812239,1.627644384,1.385028223,1.745310836,1.372550169,1.179634247,1.287123945,1.051400923,1.219507728,1.09119993,1.335972563,1.078837175
8662,C19 H24 N2 O,Hydrocinchonine Esi+4.5709996,296.1913,4.5709996,0.159192516,0.303303036,0.033661234,0.092656556,0.195825665,0.433092901,9.52E-05,0.173212548,0.318679112,-0.000326511,0.199181812,0.1335595,0.4161748,0.016565833
8663,C19 H39 N8 O4 P,C19 H39 N8 O4 P,474.2829,10.866966,1.422622749,1.35202393,1.49486736,1.451796453,1.351153751,1.464707354,1.422763441,1.658970989,1.552676272,1.785778723,1.741122963,1.514024837,1.702432295,1.630949885
8664,C27 H25 O18,"Delphinidin 3-O-3'',6''-O-dimalonylglucoside Esi+12.319014",636.0972,12.319014,0.060153285,0.145735916,0.22575347,0.098792902,0.137303631,0.000632616,0.003736689,0.050258767,-0.021903996,0.136347678,0.035589989,0.04709023,0.046236644,0.052851978
8665,C15 H39 N11 O S2,C15 H39 N11 O S2,453.2755,7.563991,0.740551213,0.987799076,0.266584773,0.661712024,0.668074858,0.772638794,0.585902873,0.363106197,0.616450787,0.060870547,0.348707805,0.358284147,0.46575789,0.296922869
8666,C16 H32 N6 O4,Val Arg Val,372.246,10.417988,0.641311143,0.523858546,0.777107911,0.515396941,0.866004177,0.65058162,0.649232602,-0.705080519,-0.470667132,-0.984731578,-0.53987887,-0.961532122,-0.564232579,-0.795890376
8667,C32 H40 N4,Borreverine Esi+9.573981,475.3751,9.573981,0.413341258,0.348440992,0.478942491,0.394498649,0.489450055,0.581264802,0.320830455,0.208728494,0.20556851,0.2124983,0.219744944,0.165841715,0.30870818,0.144267907
8668,C41 H55 N8 O17 P,C41 H55 N8 O17 P,962.3426,7.224984,0.58780871,0.543019534,0.624821202,0.615639199,0.444327798,0.542824726,0.596623023,0.362232206,0.352215374,0.374182111,0.394664092,0.299063846,0.330291644,0.382825464
8669,C15 H25 N O4,Supinine Esi+5.7889833,283.1768,5.7889833,0.697230308,0.38517171,0.895562424,0.375935187,0.974373534,0.039728765,0.937254242,0.513730403,0.434369589,0.608406461,0.44832517,0.60756087,0.261442661,0.676389605
8670,C8 H14 N2 O6,Threoninyl-Aspartate Esi+4.0780025,251.113,4.0780025,0.061015672,0.225591973,0.304218718,0.154560596,0.058965312,0.091718177,0.078885853,-0.04681054,-0.246713814,0.191670559,-0.073997396,0.008927859,0.017771686,-0.08844908
8671,C26 H45 N O,25-Azacholesterol,387.3558,13.114991,0.36841553,0.302187125,0.30114059,0.179612393,0.506215139,0.147791184,0.433878059,0.329463401,0.24054666,0.435539514,0.208894973,0.51505694,0.160670177,0.438290611
8672,C39 H60 O5,"DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) Esi+14.15997 :1",607.4397,14.15997,0.51660212,0.663255861,0.097719219,0.645373901,0.257964343,0.400797023,0.453539782,-0.181104869,-0.268826463,-0.076454547,-0.188449933,-0.184195169,-0.123522756,-0.21823018
8673,C16 H24 O8,Dihydroconiferin Esi+5.855992,344.1417,5.855992,0.853819043,0.996604832,0.738966656,0.687762152,0.951747065,0.885925501,0.855252629,-0.732573706,-0.756251629,-0.70432636,-0.537446,-0.973818636,-0.763752595,-0.712471528
8674,C16 H30 F2 O2,"Hexadecanoic acid, 2,2-difluoro- Esi+11.870033",309.2513,11.870033,1.059518205,1.197269509,0.720062576,0.965281515,1.105657062,0.867367041,1.103524988,-0.384639001,-0.476217969,-0.275386899,-0.327439445,-0.454413212,-0.33038706,-0.419617226
8675,C27 H42 N O2,Benzethonium Esi+10.441991,411.3188,10.441991,0.554937516,0.43943475,0.469863038,0.443983504,0.454434983,0.467909136,0.482568114,0.559155744,0.566875732,0.549945934,0.575445728,0.512971849,0.620400501,0.519668992
8676,C14 H3 Cl3 N6 O8 P S4,C14 H3 Cl3 N6 O8 P S4,646.7695,11.211014,0.701485998,0.582164457,0.639818502,0.76578202,0.40455787,0.426620637,0.722429465,-0.459618129,-0.413656217,-0.514449883,-0.488023797,-0.452684905,-0.242322781,-0.599716445
8677,C30 H42 N2 O2,Arachidonoyl Serotonin,462.3255,14.031986,0.630324471,0.429296484,0.794117501,0.651693844,0.513882516,0.757262283,0.521636241,0.604377506,0.433083629,0.808728097,0.661064678,0.519759381,0.72719662,0.525191499
8678,C41 H70 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0) Esi+13.306959",735.4888,13.306959,1.129182508,1.055175348,1.301477118,1.091002121,1.162218664,1.110425484,1.207074703,0.526329855,0.530250021,0.521653167,0.536348475,0.501585834,0.554078541,0.508439255
8679,C19 H32 O4,"methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate Esi+11.727028",324.2276,11.727028,1.338701111,1.304276813,1.565576988,1.297404548,1.597875172,0.990049422,1.75055092,0.734730272,0.636600006,0.851797958,0.652888391,0.837654256,0.568315648,0.842023912
8680,C43 H89 N11 O14,C43 H89 N11 O14,983.6595,9.166993,0.377508889,0.364369801,0.558196532,0.58049878,0.177063311,0.487677946,0.316712839,-0.354538837,-0.277130873,-0.446885179,-0.442004585,-0.258754316,-0.303746999,-0.387286206
8681,C49 H96 Cl3 N2 O P S,C49 H96 Cl3 N2 O P S,896.604,13.539006,1.060655261,0.984662445,1.197445989,1.030128005,1.009093375,1.210931296,0.996604061,0.623229187,0.637305195,0.606436756,0.655436407,0.552901508,0.761489201,0.534087862
8682,C24 H49 N O4 S,N-docosanoyl taurine,469.3233,8.951018,0.000757252,0.02467883,0.018108323,0.025453506,0.080142645,0.214546798,0.117253962,0.000212513,0.049388469,-0.058453541,0.055893292,-0.111525814,0.195736198,-0.12584881
8683,C11 H9 N O2,3-Amino-2-naphthoic acid Esi+4.24799,187.0627,4.24799,0.366527899,0.409585546,0.309507966,0.141521569,0.561565197,0.328944223,0.438290971,0.586180078,0.742154708,0.40010508,0.528975407,0.690718673,0.70093423,0.512193848
8684,C30 H46 N6 O3,C30 H46 N6 O3 Esi+15.200978,536.3452,15.200978,0.322079456,0.367467569,0.072804274,0.025911194,0.56325703,0.145709826,0.471466547,-0.078554397,-0.122075223,-0.026634815,0.048020433,-0.269461253,0.094324718,-0.190015932
8685,C36 H64 O11,Vinaginsenoside R12 Esi+9.986,671.4237,9.986,0.354210024,0.368899586,0.370974676,0.366918694,0.35775802,0.30956773,0.463295378,0.257912207,0.285160253,0.225405766,0.311640635,0.19008455,0.28390565,0.241153276
8686,C16 H23 N5 O2,C16 H23 N5 O2,317.1855,10.371001,0.72724473,0.790654128,0.432103003,0.714210151,0.52187841,0.526127145,0.676901816,-0.551920259,-0.671340137,-0.40945444,-0.60015996,-0.486257355,-0.552512222,-0.551538599
8687,C5 H14 N O,Choline Esi+11.594977,103.0998,11.594977,1.648526117,1.545064415,1.601721572,1.549917996,1.522766223,1.516308728,1.585337104,-2.158583253,-2.253486651,-2.045365164,-2.315924009,-1.945865611,-2.137475017,-2.17219251
8688,C20 H40,1-Eicosene Esi+13.178971,297.3387,13.178971,0.770163867,0.943215287,0.438962038,0.896090739,0.511716756,1.025088309,0.546973679,-0.272579945,-0.363323988,-0.164323895,-0.312677698,-0.201431955,-0.429583484,-0.171353979
8689,C21 H49 N4 O2 S2,C21 H49 N4 O2 S2,453.3294,10.614012,0.502364997,0.565844019,0.443407184,0.404297123,0.616842391,0.2788438,0.594152727,-0.74870863,-0.678827129,-0.832076033,-0.544565774,-1.053442996,-0.274181347,-1.054653851
8690,C28 H50 O5,6?-Hydroxy-castasterone Esi+15.236024,486.3416,15.236024,0.693956082,0.824502189,0.316125421,0.771199862,0.430862499,0.658832859,0.554465631,-0.565538402,-0.7523598,-0.342663752,-0.643048766,-0.474194793,-0.675271945,-0.494789144
8691,C48 H89 O13 P,"PI(17:0/22:2(13Z,16Z)) Esi+14.39997",903.5938,14.39997,1.266789445,1.353749321,1.019560877,1.267191801,1.146204856,1.251755026,1.254101267,-1.029710757,-1.169899365,-0.862468207,-0.955783882,-1.090989427,-0.978996237,-1.062408276
8692,<none>,<none> Esi+11.898991 :1,413.7791,11.898991,1.407108041,1.397353885,1.4772795,1.450036513,1.354518815,1.546765147,1.369420052,0.672392444,0.676314114,0.667713961,0.680863307,0.635483437,0.754825783,0.619244633
8693,<none>,<none> Esi+13.906987 :1,980.6712,13.906987,0.799563295,0.636309887,0.795040933,0.798955411,0.518340653,0.607765016,0.878656309,-0.559600086,-0.491016986,-0.641418522,-0.563611968,-0.523574813,-0.415965986,-0.652206282
8694,C13 H14 O2,Tremetone,202.0991,4.9619975,1.452178614,1.351582389,1.540289564,1.408844072,1.485036523,1.310807115,1.534248572,0.781514332,0.788213623,0.773522196,0.852441716,0.701618366,0.838850876,0.74454735
8695,C13 H31 Cl N16 O,C13 H31 Cl N16 O,462.2427,6.785,0.855447003,0.758865335,0.844951996,0.5808142,1.036538326,0.616394408,0.89453691,2.099875401,1.98208322,2.240399407,1.54536194,2.817680061,1.644359586,2.393563229
8696,C32 H63 O10 P,PG(12:0/14:0),655.4411,11.943025,0.689035673,0.557490099,0.77463691,0.677893753,0.609394822,0.701502646,0.609820822,-0.624463189,-0.590255315,-0.665272582,-0.592066124,-0.701930765,-0.557461209,-0.667661834
8697,C32 H59 N17 O3,C32 H59 N17 O3,729.4895,13.99803,0.215041947,0.396065004,0.089527736,0.535471994,0.190339985,0.468624146,0.005159183,-0.097929088,-0.202125998,0.026375996,-0.233679745,0.066493903,-0.215135648,-0.022361701
8698,C33 H53 N O9,Malyngamide J Esi+13.813979,604.3716,13.813979,0.201555091,0.238873618,0.123370521,0.238233316,0.181528538,0.178209864,0.161828331,-0.017447024,-0.087871661,0.066568333,0.027512485,-0.073694278,-0.012536495,-0.020613022
8699,C11 H17 N,dimethylamphetamine Esi+5.5460114,163.1359,5.5460114,1.66615355,1.853124627,1.542484404,1.796372328,1.765492501,1.760613549,1.739519978,-0.640950802,-0.702680692,-0.567308126,-0.622599982,-0.676551537,-0.596928441,-0.66933364
8700,C23 H44 N7 O,C23 H44 N7 O Esi+14.764962,434.3538,14.764962,0.705804767,0.458892676,0.853184328,0.583917479,0.680581475,0.53483596,0.731530959,0.508950459,0.391545317,0.649012734,0.445577046,0.585166215,0.466639565,0.536229851
8701,C25 H37 N O2,UCM707 Esi+8.791014,383.2872,8.791014,0.998624694,0.937462201,0.918976445,0.943020868,0.884019488,1.024681668,0.916544735,-0.743018194,-0.786261826,-0.691429299,-0.735987051,-0.753576233,-0.788322566,-0.713808796
8702,C23 H40 O5,10-F2-dihomo-IsoP Esi+13.056965,396.2848,13.056965,2.247768405,2.289682533,2.191475676,2.247749203,2.328228779,2.38313989,2.21146367,-1.36412893,-1.42013817,-1.29731089,-1.382084722,-1.330973705,-1.534410762,-1.25434196
8703,C21 H38 N,Benzalkonium Esi+13.028009,303.2919,13.028009,0.259358329,0.424594996,0.025121381,0.314707858,0.07252662,0.344722138,0.148246781,-0.212447374,-0.350003506,-0.048345322,-0.294260964,-0.076591939,-0.332723713,-0.134900787
8704,C20 H38 N2 O12,C20 H38 N2 O12,498.2442,9.511991,1.863324043,1.69129411,1.893182802,1.795547079,1.884587931,1.542403074,1.957223617,3.049987518,2.875751695,3.257847799,3.078689805,3.101197421,2.841256849,3.184563871
8705,C20 H28 N8,"Bis(3-azidopyridinium)-1,10-decane perchlorate Esi+6.7320185",397.2668,6.7320185,0.301262596,0.312748465,0.059694175,0.285926992,0.256676319,0.056281391,0.450421253,-0.113371889,-0.184393874,-0.028643905,-0.121916582,-0.131804821,0.054945972,-0.221892614
8706,C12 H24 N4 O4,Sakacin A,287.1725,5.4499946,0.46756183,0.618795727,0.082349451,0.748303353,0.13178749,0.769176804,0.235789326,-0.264650265,-0.481212364,-0.006295481,-0.398531529,-0.100158494,-0.421782688,-0.163341203
8707,C39 H63 N5 S2,C39 H63 N5 S2,665.4542,13.149996,1.270069994,1.384458809,0.984652366,1.294253473,1.143717113,1.464686832,1.056137189,2.034745257,2.379408334,1.623568253,2.144067842,1.938610398,2.447877126,1.76838392
8708,C36 H68 N O10 P,PS(14:1(9Z)/16:0),727.4344,8.444979,0.083561599,0.20591162,0.578538631,0.095989673,0.493585843,0.176181685,0.324363361,0.041997973,-0.070587681,0.176310682,-0.063822405,0.186678394,-0.070599734,0.114593863
8709,C38 H23 N5 O3 P S,C38 H23 N5 O3 P S,660.1263,13.892027,0.173434363,0.248931647,0.069909678,0.186401571,0.006500504,0.035867405,0.210125125,0.02615911,-0.017033457,0.077687086,0.035047421,-0.002793826,0.113155182,-0.029930462
8710,C6 H14 N O,Trimethylaminoacetone,115.1,0.78700155,0.14669382,0.019169847,0.261820096,0.153584046,0.3530826,0.300414404,0.332730988,-0.056354335,0.004576026,-0.129043186,0.095558636,-0.264961498,0.155198431,-0.192750197
8711,C32 H44 Cl N2 O S,C32 H44 Cl N2 O S,539.3066,11.340974,0.889016963,1.201924775,0.412004006,1.199808193,0.524822985,0.907686604,0.899464341,-0.899564188,-1.209715478,-0.529559141,-1.096012219,-0.663118179,-0.934020767,-0.877348763
8712,C24 H26 O10,"Luteolin 7,3'-dimethyl ether 5-glucoside",474.1513,9.390998,0.761075706,0.61134643,0.973847728,0.747999421,0.880210369,0.661165507,0.8031342,0.382893187,0.309090938,0.470937975,0.300367424,0.4793497,0.330325497,0.416785513
8713,C44 H73 N O8 P,"PC(18:4(5Z,8Z,11Z,14Z)/18:4(5Z,8Z,11Z,14Z))[U]",773.493,13.793964,0.345164209,0.583634511,0.070606239,0.382425891,0.262220187,0.45055649,0.167213077,-0.5502755,-1.281971483,0.32262497,-0.52616343,-0.689152852,-0.892112735,-0.329880441
8714,C26 H27 N3 O6,"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]",477.1912,9.817997,0.80658771,0.912681542,0.479381736,0.861458138,0.58170773,0.768768382,0.696234782,-0.501746074,-0.599011609,-0.385709998,-0.573388874,-0.418103382,-0.571955312,-0.456479592
8715,C13 H4 D10 N2 O4,DMABA-d10 NHS ester Esi+6.422984,272.1626,6.422984,1.476457666,1.398296448,1.308546166,1.373753006,1.328575389,1.363840674,1.411398852,1.549461586,1.551573473,1.546942142,1.548703806,1.524386112,1.650595027,1.48425713
8716,C23 H47 N O2,N-(2-hydroxyethyl)henicosanamide,369.3596,12.740984,0.254670051,0.562066507,0.244271696,0.306813445,0.010503528,0.778414567,0.135619679,-0.17104142,-0.441074754,0.15110361,-0.3161327,0.055150896,-0.581211139,0.093410109
8717,C46 H70 N13 O9,C46 H70 N13 O9,948.5433,14.263975,0.324147382,0.162051531,0.52873491,0.285897639,0.254854155,0.29859854,0.302961102,0.204478646,0.129243591,0.294232747,0.234130343,0.144534509,0.197193708,0.209175515
8718,C15 H8 Cl8 O2,Butter acids Esi+10.112036,516.836,10.112036,0.792993246,0.928579309,0.54330458,0.663575549,0.761626169,0.754866926,0.766513691,0.377859556,0.478527092,0.25776495,0.365555544,0.383389175,0.421256579,0.349879896
8719,C41 H73 N O2 P S3,C41 H73 N O2 P S3,736.4804,11.972981,1.259760248,1.084293906,1.737517519,1.188018354,1.531458976,1.555922203,1.228460334,1.268311133,1.155489899,1.402904886,1.288455062,1.199095897,1.402230194,1.18196858
8720,C15 H30 O,3-Ethyltridecan-2-one Esi+9.624017,243.256,9.624017,0.831872439,1.067040971,0.662129444,0.885023525,0.709658246,0.914382097,0.762862734,-0.285824307,-0.318713148,-0.246588496,-0.339564193,-0.213649041,-0.372345469,-0.230040926
8721,C45 H77 O10 P,"PG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",807.5193,8.791993,0.456664961,0.429726896,0.529158551,0.493356616,0.40688982,0.311055983,0.537002303,-0.293050134,-0.228537861,-0.370012143,-0.251824005,-0.371321562,-0.152179974,-0.383874316
8722,C25 H33 D4 N O4,17-phenyl trinor Prostaglandin F2? ethyl amide-d4 Esi+9.656005,419.2975,9.656005,1.027412395,1.153300924,0.96525324,1.301714412,0.755446818,1.08887199,0.908864365,-0.73965436,-0.759306865,-0.716209267,-0.765911657,-0.723238448,-0.667187776,-0.786376237
8723,C26 H34 O9,alpha-Crocetin glucosyl ester,490.2178,10.156989,1.264301834,1.084163167,1.391778379,1.270544509,1.176562321,1.26180989,1.228301372,1.616231551,1.471008452,1.78948016,1.610048652,1.612806923,1.617379228,1.615491601
8724,C28 H61 N7 O4 P,C28 H61 N7 O4 P Esi+16.25298,590.4523,16.25298,1.71144539,1.87304326,1.448452191,1.644189607,1.737455588,1.907621417,1.554267182,-1.245513674,-1.469183504,-0.978679489,-1.19224643,-1.3228952,-1.403115674,-1.143901857
8725,C49 H93 O10 P,"PG(22:2(13Z,16Z)/21:0)",872.6498,14.73502,1.358067664,1.499954901,1.048648418,1.374853807,1.25122064,1.459039646,1.219799813,-1.309390612,-1.505057059,-1.075963972,-1.34673908,-1.283966674,-1.346579844,-1.285413343
8726,C15 H28 N7,C15 H28 N7 Esi+10.983977,306.2399,10.983977,0.018845049,0.058483205,0.131701315,0.097897705,0.036803603,0.014198421,0.038155771,-0.00970116,-0.11788926,0.119365346,0.005822553,-0.060170887,-0.014765944,-0.006435708
8727,C9 H14 O3,C9 H14 O3 Esi+4.663005,170.0958,4.663005,0.371444349,0.423714881,0.368253792,0.309728748,0.307449336,0.670283599,0.212551932,0.393367821,0.337411931,0.460122217,0.442961371,0.323719689,0.649497943,0.228231295
8728,C37 H55 N2 O2 S,C37 H55 N2 O2 S,591.3987,12.81699,2.119348033,1.956318171,2.072661242,2.074825431,1.995983847,1.852500853,2.168710402,6.253845051,5.861238135,6.722218213,6.125950026,6.401170607,5.826135551,6.529605123
8729,C37 H60 O9,Goyaglycoside a Esi+12.245036,648.426,12.245036,1.311511812,1.211294857,1.325041071,1.222464164,1.274148772,1.235745004,1.323176986,0.837674084,0.856573535,0.815127372,0.864153479,0.779704797,0.890363693,0.803703153
8730,C16 H34 N5 O10 S5,C16 H34 N5 O10 S5,616.0899,13.104984,0.21083957,0.271286074,0.045042101,0.228824174,0.033766691,0.134650339,0.16555007,-0.017293569,-0.053500941,0.025901191,-0.019408418,-0.027026546,-0.002284617,-0.026970393
8731,C18 H32 O18,"1,4-beta-D-Glucan",535.1577,16.520016,1.398176794,1.482290258,1.223517786,1.365174063,1.417472285,1.306615442,1.398394256,-1.481789704,-1.495758184,-1.465125553,-1.392676084,-1.628288199,-1.305141987,-1.595680996
8732,C36 H53 N2 O S,C36 H53 N2 O S,561.3869,13.833986,0.050735094,0.122879218,0.416910227,0.071795315,0.246555126,0.143366088,0.108827726,0.083109781,0.006629095,0.174349897,0.082559715,0.069927103,0.167658794,0.028597917
8733,C25 H46 O7,C25 H46 O7 Esi+14.28497,458.3239,14.28497,0.486026011,0.251842621,0.80110984,0.432320669,0.571835669,0.500023995,0.524030555,0.294544783,0.197655539,0.410131951,0.25865027,0.348332754,0.279773177,0.304068582
8734,C26 H42 O8,Fusicoccin H Esi+13.868967,499.315,13.868967,0.199932695,0.532706702,0.338007726,0.183260768,0.127496996,0.171853006,0.151537245,-0.035478255,-0.30714978,0.288621108,-0.042965109,-0.030094524,-0.092501933,0.001287012
8735,C47 H9 N5,C47 H9 N5,643.0908,12.691985,1.085207649,1.004437401,1.222840305,1.05997156,1.13773695,1.121386294,1.069337383,1.0769074,1.070202245,1.084906532,1.075385526,1.050413169,1.137624412,1.037760905
8736,C26 H27 Cl N2 O,C26 H27 Cl N2 O,418.1805,6.3489995,1.699200319,1.616632491,1.648683176,1.685360916,1.659272197,1.510235706,1.742782721,-1.936894576,-1.960571628,-1.908648267,-1.784986275,-2.114443243,-1.758067448,-2.052191013
8737,C21 H3 N2 O16 S5,C21 H3 N2 O16 S5,698.8096,12.950991,0.721568829,0.637208656,0.734370425,0.823638164,0.458664622,0.609871517,0.719366174,-0.331637173,-0.309683217,-0.357827858,-0.351563959,-0.328927654,-0.262364331,-0.376299927
8738,C15 H26 O4,Ethylene brassylate Esi+11.407977,270.1827,11.407977,0.546824947,0.431711434,0.637437851,0.524698527,0.430139554,0.686767256,0.409705533,0.45223697,0.370200844,0.550104629,0.485941468,0.396083982,0.562313757,0.38126641
8739,C13 H22 O4,2-Carboxy-4-dodecanolide Esi+8.001986,242.1519,8.001986,0.3427395,0.309226386,0.357476329,0.549882164,0.122963675,0.372974709,0.259477943,-0.1555995,-0.153884468,-0.157645504,-0.223866434,-0.060061766,-0.177085708,-0.141746551
8740,C35 H62 O8,Annoglaxin,632.4234,9.261984,0.353937228,0.342674038,0.276200492,0.497900144,0.002737793,0.382510159,0.289380861,-0.305046815,-0.285868089,-0.327926698,-0.451563005,-0.095054873,-0.325646699,-0.29176531
8741,C20 H36 O5,11?-Prostaglandin F1? Esi+12.301021,356.2562,12.301021,0.907783584,0.896216377,0.730854755,0.950003714,0.770684212,0.954235627,0.785776141,-0.31751658,-0.374524333,-0.24950733,-0.271805661,-0.374489068,-0.322656585,-0.314202629
8742,C23 H30 O2,alpha-Santalyl phenylacetate Esi+13.860037,338.2216,13.860037,0.422609628,0.446446907,0.331818664,0.633312802,0.118945532,0.631675171,0.270014266,-0.403474943,-0.446769224,-0.351825625,-0.634159008,-0.105338013,-0.60774487,-0.271774595
8743,C40 H70 N O8 P,"PE(20:4(5Z,8Z,11Z,14Z)/15:1(9Z)) Esi+13.388984",745.4649,13.388984,0.591135548,0.460689959,0.685588706,0.636806299,0.547564034,0.465378269,0.683700494,1.016081859,0.70162862,1.391219057,1.010097076,1.002842398,0.70115917,1.219124119
8744,C26 H22 O15,Mangiferin 6'-gallate Esi+13.863024,596.0833,13.863024,0.330340072,0.27549899,0.486843222,0.340664407,0.425338349,0.500443692,0.297724118,0.176614111,0.163510423,0.192246582,0.181157003,0.154707318,0.241601447,0.134714381
8745,C35 H63 N18 O2 P,C35 H63 N18 O2 P,798.5098,14.155025,0.004124903,0.178800045,0.21685406,0.047206515,0.016825037,0.055045573,0.03859413,0.157289332,0.016866591,0.324811198,0.172663073,0.121662788,0.136878387,0.17044902
8746,C14 H16 N4,Imiquimod Esi+7.501987,240.136,7.501987,0.015172599,0.013567081,0.015071683,0.208890078,0.283290572,0.527371016,0.366019024,0.01445245,-0.021356187,0.057171527,-0.092874987,0.160138896,-0.200958304,0.1533357
8747,C10 H19 N O3,Capryloylglycine Esi+5.494996,201.1365,5.494996,0.083588622,0.115636967,0.05421988,0.212064194,0.015376843,0.029237727,0.120564038,-0.014372792,-0.027655668,0.001473446,-7.45E-05,-0.04637076,0.11227169,-0.096025156
8748,<none>,<none> Esi+12.847976,748.5176,12.847976,0.01021244,0.052974161,0.093601034,0.075506543,0.078933434,0.024590799,0.04900269,0.091014357,0.061770947,0.125901232,0.062086702,0.109669126,0.126185618,0.06833815
8749,C19 H45 N4 O3,C19 H45 N4 O3,377.3499,15.367972,0.188382465,0.490088027,0.263643489,0.125892672,0.168962525,0.086074525,0.185038226,-0.15147388,-0.319407046,0.048867441,-0.112597192,-0.185329469,-0.056393892,-0.212775451
8750,C35 H58 O12,Fungichromin Esi+14.387958,692.3758,14.387958,0.026640786,0.21881366,0.240253472,0.096977618,0.003738333,0.059741617,0.061114576,0.039928203,-0.054614218,0.152715652,0.051669486,0.019744547,0.096265472,0.003605489
8751,C9 H17 N O,2-(1-Pyrrolidinyl)-3-pentanone,155.1305,0.8880004,0.28909836,0.006557708,0.604792058,0.233563264,0.286270235,0.022356013,0.505467087,0.156445382,-0.005290914,0.349393945,0.145741277,0.16089697,0.019386458,0.24481232
8752,C26 H39 N3 O3,N-arachidonoyl histidine Esi+8.939977,441.2936,8.939977,1.088687976,1.089738646,1.093439762,0.997791393,1.197365666,1.060981639,1.10630868,-0.903153459,-0.824237852,-0.997298394,-0.820070331,-0.994939575,-0.756788693,-0.997520216
8753,C30 H47 N O4 S,Retapamulin Esi+11.337008,517.3175,11.337008,2.069798464,2.090669748,1.833731247,2.137911452,1.868239213,2.033826238,1.975078514,-3.124329128,-3.250622435,-2.973663429,-3.087281785,-3.15544644,-3.235978319,-3.052344782
8754,C23 H52 N26 O,C23 H52 N26 O,708.4925,14.083986,0.041410593,0.167477214,0.172236053,0.158771957,0.10625002,0.241866532,0.15685432,0.117185545,0.030750686,0.220300816,0.082372827,0.167871551,-0.02076665,0.206128408
8755,C9 H27 N7 O5 P,C9 H27 N7 O5 P,343.159,8.250985,0.228275184,0.234812973,0.251820569,0.390819898,0.017464152,0.679657627,0.062108504,-0.316947554,-0.285344535,-0.354649401,-0.465166078,-0.107901507,-0.636416909,-0.110973891
8756,C21 H41 O7 P,DHAP(18:0),436.262,14.278021,0.054913257,0.191163729,0.317535415,0.0983669,0.072700257,0.071826853,0.021526316,0.087595495,-0.009688193,0.203653229,0.198341497,-0.081185501,0.17880735,0.028787852
8757,C32 H46 N8 O6 S2,Bisibuthiamine Esi+11.880004,701.2908,11.880004,1.466704411,1.413985492,1.052605701,1.368082731,1.141281188,1.207678154,1.320648879,-0.751151369,-0.80234648,-0.690076499,-0.73845995,-0.767579981,-0.734113561,-0.762136271
8758,C24 H34 N7 O2,C24 H34 N7 O2,452.2779,12.114991,0.559683215,0.343304015,0.776810221,0.479029055,0.524663841,0.424323043,0.635355446,0.688070491,0.532588825,0.873557392,0.673619684,0.689580218,0.612812276,0.736592236
8759,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester Esi+13.430978,394.2698,13.430978,0.200765125,0.199524326,0.133393226,0.469247848,0.0607227,0.223719809,0.110133485,-0.132765012,-0.093989292,-0.179023765,-0.204401051,-0.051488987,-0.066566681,-0.175445514
8760,C30 H50 O5,Cycloastragenol Esi+14.864013,490.3644,14.864013,1.421323332,1.551130172,1.092968649,1.412712199,1.316876515,1.470781241,1.334860098,-1.034308083,-1.310935821,-0.704296044,-1.069936485,-0.982333867,-1.072526901,-1.009667002
8761,<none>,<none> Esi+9.104986 :1,414.7681,9.104986,0.011968851,0.028431961,0.146048667,0.207578312,0.23450132,0.237783063,0.141434231,-0.148708018,-0.054688075,-0.260872161,-0.289797526,0.020855206,-0.245264458,-0.086454524
8762,C14 H22 O7,Garcinia lactone dibutyl ester Esi+4.9890103,302.1341,4.9890103,0.932502728,0.864056405,1.023055054,0.942399555,0.896427528,0.968492835,0.919488999,-0.797565403,-0.714333852,-0.896859184,-0.71530047,-0.886471553,-0.793626868,-0.800104722
8763,C22 H34 N5 O2,C22 H34 N5 O2,400.2625,10.052001,0.598509181,0.530012211,0.479315025,0.652976572,0.323534418,0.646414139,0.497173512,0.617911499,0.674592091,0.550292547,0.802585141,0.357845942,0.753696097,0.530366167
8764,C22 H35 N O3 P S,C22 H35 N O3 P S,424.2074,9.824976,0.025546921,0.053939151,0.129976457,0.088181898,0.074360944,0.040550018,0.007544321,0.176679493,0.08750186,0.283066845,0.361194235,-0.107827205,0.254585145,0.126450849
8765,C30 H44 O5,21-Hydroxyisoglabrolide Esi+8.234007,506.3046,8.234007,0.197779723,0.321093026,0.062489971,0.08891766,0.182470236,0.200475724,0.145119641,0.1722775,0.31324846,0.004101618,0.180358751,0.136653135,0.241264393,0.127799109
8766,C22 H38 O3,"12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid",350.2927,10.701994,0.739734298,0.904156904,0.394182775,0.722305301,0.655596469,0.765428615,0.680497015,-0.213811059,-0.274499567,-0.141410734,-0.199946427,-0.231786613,-0.216944938,-0.211790532
8767,C20 H26 O3,"Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)",314.1838,11.490985,0.164419914,0.130049919,0.229620616,0.22209063,0.093460356,0.15307864,0.219297159,0.28756229,0.171546703,0.42596685,0.371003844,0.167610108,0.284635684,0.28944918
8768,C22 H45 N21 O2 P,C22 H45 N21 O2 P Esi+8.201021,666.3796,8.201021,0.490495972,0.402595265,0.581976558,0.437653067,0.384992827,0.329824331,0.452222923,-0.579884359,-0.357202873,-0.845539465,-0.540928091,-0.648244652,-0.369222431,-0.715705865
8769,C11 H17 N,dimethylamphetamine Esi+7.1040034,180.1625,7.1040034,1.281743119,1.333916905,1.215434771,1.273466182,1.42356106,1.411870267,1.226123579,-0.624107644,-0.703546214,-0.529338824,-0.615072588,-0.653275363,-0.662933468,-0.599075205
8770,C15 H20 O7,3-Hydroxychavicol 1-glucoside Esi+6.510989,334.1029,6.510989,0.165299509,0.368634633,0.308917971,0.134124798,0.014533158,0.122971966,0.097553894,-0.117299792,-0.398421474,0.218073442,-0.152992477,-0.009520407,-0.201038023,-0.06331067
8771,C15 H31 N S2,"Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine Esi+6.0770154",289.1885,6.0770154,1.14586081,1.044091079,1.370362117,1.113596416,1.199090367,1.190796965,1.158359494,0.995185332,0.928174942,1.075127551,1.049610611,0.898757732,1.017727995,0.980651247
8772,C32 H61 O8 P,PA(17:1(9Z)/12:0) Esi+13.174014,604.417,13.174014,1.756371403,1.770522108,1.724487182,1.794330342,1.763653242,1.587511997,1.876562558,2.898619877,2.875685379,2.92598033,2.929020897,2.83452235,2.765912711,2.984181075
8773,C14 H22 O4,(-)-trans-C75 Esi+7.715975,254.1511,7.715975,0.340430163,0.133762345,0.588290531,0.283394735,0.336945831,0.441270675,0.291304456,0.230388762,0.140331608,0.337825366,0.261936453,0.181610377,0.298026645,0.186780126
8774,C16 H27 N8,C16 H27 N8 Esi+5.946009,331.2336,5.946009,0.497853514,0.505633164,0.397401061,0.52421926,0.514125996,0.500040976,0.448016525,0.518229009,0.61330661,0.404803099,0.555946131,0.460497593,0.548059177,0.498996401
8775,C6 H6 O3,(Z)-Tamarindienal,148.0159,13.334976,1.506634686,1.681795815,1.511615013,1.330214006,1.850476852,1.544474091,1.680271999,-0.572419589,-0.631568941,-0.501855449,-0.506751683,-0.649996477,-0.548345793,-0.587940852
8776,C13 H20 O3,3-Methylbutyl 2-furanbutanoate,224.1409,8.739011,1.322391699,1.253301924,1.128975183,1.319884057,1.087334076,1.073041831,1.316834931,-0.666361864,-0.686909046,-0.641849437,-0.653502097,-0.683223532,-0.590007662,-0.715590232
8777,C15 H24 N6 O5,His Asn Val Esi+7.4840064,368.1822,7.4840064,0.676214914,0.573425884,0.825384562,0.825276901,0.558239366,0.589106461,0.760682532,-0.333797305,-0.313403417,-0.358126856,-0.412904633,-0.254850849,-0.286132308,-0.364528685
8778,C39 H54 N17 O10,C39 H54 N17 O10 Esi+5.746991,920.4233,5.746991,1.134503858,1.183569459,0.821601891,0.826424023,1.431728072,0.866337364,1.257623294,0.966481079,1.092064369,0.816662419,0.742771379,1.315625579,0.816609593,1.063108749
8779,C36 H58 O10,Lucyoside N Esi+14.910956,650.402,14.910956,0.007523323,0.038652184,0.037207008,0.077972967,0.123822115,0.372339361,0.227743326,-0.019352146,0.01329431,-0.058298795,0.056318589,-0.1453945,0.24438021,-0.189390112
8780,C13 H24 N7 O,C13 H24 N7 O Esi+6.0400057,294.2033,6.0400057,0.355486435,0.135380735,0.675411863,0.23203769,0.564115059,0.248882479,0.449615558,-0.21676647,-0.082316725,-0.377162657,-0.143221298,-0.336324231,-0.112496149,-0.283993388
8781,C16 H3 O17 P S2,C16 H3 O17 P S2 Esi+8.805017,561.8524,8.805017,0.252085283,0.406456894,0.027709141,0.133287708,0.355057183,0.329274914,0.197427967,0.081865421,0.201721328,-0.061120574,0.043249516,0.113894015,0.165818109,0.027738029
8782,C22 H44 N O8 P,PS(P-16:0/0:0) Esi+11.871008,480.27,11.871008,0.015598246,0.14168246,0.284887887,0.049011293,0.01665323,0.225582038,0.024400754,0.099993049,-0.172507953,0.425081963,0.130089802,0.061252412,0.172698511,0.053117159
8783,C22 H39 N O4,PGF2? ethyl amide,381.2855,10.183002,0.195831062,0.217684026,0.154721372,0.165716421,0.26444039,0.281553426,0.162478874,0.124819596,0.126353658,0.122989486,0.111019696,0.159335887,0.163847869,0.09965663
8784,<none>,<none> Esi+9.146979 :1,502.821,9.146979,0.145396428,0.15211966,0.050349745,0.066351546,0.428476892,0.111689241,0.281428953,-0.128621462,-0.050089369,-0.222308872,-0.313342836,0.100102082,-0.27176253,-0.036333142
8785,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+10.050025,285.2655,10.050025,0.845085057,1.2106696,0.285989306,0.90728412,0.59623102,1.099072437,0.691727663,-0.416598361,-0.601087595,-0.196505941,-0.483625918,-0.335389092,-0.556502984,-0.326396696
8786,C27 H36 F2 O6,Flumethasone pivalate Esi+10.583007 :1,494.2489,10.583007,2.032451022,1.916179689,2.279999824,2.062192542,2.122728215,1.964344252,2.15437602,2.358255886,2.125223902,2.636258955,2.27412909,2.448506802,2.295415013,2.398771712
8787,C15 O23 P,C15 O23 P Esi+10.957013,578.8561,10.957013,0.356488414,0.659262592,0.317004946,0.357196237,0.184658552,0.412247408,0.229238686,-0.126237173,-0.299220472,0.080128869,-0.141354232,-0.098557518,-0.200023458,-0.078664436
8788,C28 H55 O12 P,PI(19:0/0:0),636.3143,13.552982,0.292363224,0.073443954,0.48766306,0.238869841,0.348937457,0.310849377,0.272148769,0.340029999,0.150255313,0.56642787,0.242896152,0.461778937,0.259479339,0.391963977
8789,C22 H42 O8,Polysorbate 60 Esi+10.969977,456.263,10.969977,1.641600321,1.549133156,1.717492933,1.644692882,1.621394211,1.578979101,1.708096661,2.210181573,2.155827032,2.275025586,2.265770791,2.101591613,2.181084641,2.228941436
8790,C31 H59 O2 P S2,C31 H59 O2 P S2,558.3705,16.228024,0.155789417,0.178729848,0.110843345,0.171096521,0.118658308,0.197417331,0.147785621,0.328072362,0.342917986,0.310361794,0.367003961,0.263227782,0.332427879,0.3252642
8791,C25 H51 N8 O2 S2,C25 H51 N8 O2 S2,559.3602,6.964993,0.646791789,0.497907843,0.93982382,0.708115135,0.632888119,0.524335991,0.751564633,-0.352500178,-0.257701614,-0.465593202,-0.357572456,-0.364195699,-0.285388236,-0.395769719
8792,C12 H24 O2,Pentyl heptanoate,217.2037,6.5080185,1.772092978,1.726113258,1.757100597,1.659127402,1.878251056,1.648740216,1.838817442,0.654262643,0.644114651,0.666369021,0.610290294,0.725439775,0.621726123,0.675240137
8793,C33 H58 O6,Cholestanyl glucoside Esi+16.238024,550.4185,16.238024,0.61434232,0.562656083,0.542857809,0.566327299,0.670228369,0.596826224,0.525158394,-0.398258901,-0.411833142,-0.382065068,-0.319984971,-0.511492161,-0.403342285,-0.394981455
8794,C18 H31 O4,C18 H31 O4,310.2188,12.482976,0.505458199,0.391153019,0.689982432,0.643881558,0.413673269,0.522414314,0.550351828,0.252054363,0.229775504,0.27863265,0.278617471,0.194127929,0.264317851,0.24414764
8795,C34 H65 O8 P,PA(15:0/16:1(9Z)) Esi+16.242971,632.4473,16.242971,0.225022586,0.340033341,0.035044414,0.227535193,0.134300073,0.155454447,0.185896078,-0.108940832,-0.235110815,0.041577744,-0.119399846,-0.095169602,-0.128322873,-0.096444516
8796,C20 H32 N6 O4,Phe Arg Val,420.2487,13.906005,1.411653989,1.14662517,1.493595787,1.131202003,1.574264788,1.236330978,1.410467481,1.246389858,1.085892305,1.437860622,1.055689039,1.525231498,1.122864379,1.326031285
8797,C35 H62 N3 S4,C35 H62 N3 S4,650.4004,13.92897,0.97238035,0.687232343,1.246999833,1.029587237,0.87338357,0.914430055,0.962695298,1.000408292,0.799775776,1.239759363,1.044569243,0.977637068,0.986342792,1.009476838
8798,C22 H47 N24,C22 H47 N24 Esi+8.925022,647.4413,8.925022,0.428869169,0.392438208,0.502061936,0.535313458,0.270080366,0.397888123,0.417075187,-0.276150559,-0.223272839,-0.339232751,-0.315789673,-0.249830843,-0.209729735,-0.318974512
8799,C22 H43 N19 O,C22 H43 N19 O,589.388,13.586984,0.218033194,0.303491899,0.14034614,0.236390522,0.213037601,0.30666991,0.142631304,-0.150140517,-0.192770533,-0.099283655,-0.092845386,-0.237181422,-0.209301374,-0.111997332
8800,C37 H70 Cl3 N2,C37 H70 Cl3 N2,647.4596,13.979984,1.246334167,1.308026063,1.126691383,1.344082894,0.999166398,1.294338058,1.133988997,-1.25759663,-1.405579534,-1.081055622,-1.36603521,-1.131477508,-1.366553142,-1.187348352
8801,C11 H15 N5 O3,N6-Methyl-2'-deoxyadenosine Esi+5.491989,282.1433,5.491989,0.176442427,0.034615806,0.251219891,0.059343796,0.347125164,0.054046181,0.161974062,-0.079145893,-0.067089218,-0.093529295,0.056300998,-0.258913077,-0.068310766,-0.086131699
8802,C51 H50 N12 O2 P,C51 H50 N12 O2 P,893.391,15.103024,0.6777199,0.575912795,0.705196297,0.536216497,0.702696529,0.264522517,0.845043272,-0.233642066,-0.186681159,-0.289665605,-0.206007933,-0.30516738,-0.099378821,-0.320206527
8803,C23 H40 O5,10-F2-dihomo-IsoP Esi+12.806963,396.291,12.806963,0.659593169,0.707303898,0.585975963,0.633571475,0.705465603,0.494532383,0.776843842,1.069483373,1.182242565,0.934963636,1.110376454,0.976427051,0.988060624,1.121979619
8804,C28 H7 N6 O16 P,C28 H7 N6 O16 P Esi+12.013984 :1,713.9649,12.013984,1.849899884,1.851931879,1.763837916,1.952486055,1.664619577,1.923985139,1.790974155,1.639713826,1.745661,1.513320707,1.768470656,1.431733308,1.828785458,1.51781238
8805,C15 H28 N6 O7,Thr Glu Arg,404.2018,6.0460124,0.535333242,0.156987492,0.897780744,0.461227458,0.614019871,0.286789808,0.640487276,-0.341228632,-0.113649872,-0.6127261,-0.255443204,-0.474957867,-0.159907521,-0.458133032
8806,C32 H63 O8 P,PA(14:0/15:0),606.422,13.670974,0.275866663,0.283203214,0.203293889,0.202888801,0.276043547,0.00306237,0.418232254,-0.178809752,-0.173466273,-0.185184428,-0.178243663,-0.203490142,-0.01108634,-0.286947215
8807,C37 H66 O7 S,"2-(9R-(5Z,9Z-tetracosadienoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid Esi+10.42099 :1",653.4439,10.42099,0.949201414,0.900235414,1.019725638,1.12876414,0.692435416,0.778176916,0.993105689,-0.541743521,-0.517706729,-0.570418992,-0.592090424,-0.502829834,-0.410004815,-0.626680319
8808,C20 H30 N7 O,C20 H30 N7 O Esi+13.836973,384.2497,13.836973,0.741112225,0.819181371,0.707356928,0.965775616,0.511731273,0.849887409,0.717498571,0.540646768,0.667335241,0.389509643,0.699341907,0.326680064,0.592979053,0.506906216
8809,C32 H57 N O2 P S,C32 H57 N O2 P S,550.3886,13.809008,1.270852693,1.43406693,0.84385841,1.175601728,1.149745658,1.078406613,1.341072992,-1.175285327,-1.503810246,-0.783360862,-1.099632146,-1.244564957,-0.950660965,-1.320108929
8810,C42 H25 Cl2 N2 O4,C42 H25 Cl2 N2 O4,690.1354,12.264982,0.568989861,0.591384044,0.36956682,0.579642881,0.419407432,0.295932347,0.615442792,-0.179338986,-0.190702717,-0.165782255,-0.146221374,-0.239086692,-0.06988365,-0.249908874
8811,C34 H63 N5 O9,Pepstatin Esi+16.42602,702.4894,16.42602,0.176053784,0.15491538,0.265900904,0.214178819,0.159577924,0.375934575,0.11778285,0.047005063,0.030095047,0.067178416,0.073710604,0.019907629,0.111498106,0.005424023
8812,C12 H24,1-Dodecene Esi+8.553981,185.2144,8.553981,0.372857214,0.474391024,0.169217767,0.456666292,0.202947581,0.542497245,0.205067151,-0.254513339,-0.336004359,-0.157295981,-0.31462338,-0.18013662,-0.292910078,-0.229757546
8813,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.3179936,186.0894,7.3179936,0.194185576,0.226854235,0.092135993,0.241888341,0.116879649,0.059236549,0.312395228,-0.126084028,-0.151760346,-0.095452632,-0.098768651,-0.170540822,0.041680886,-0.234248249
8814,C47 H81 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)) Esi+14.104984",800.5286,14.104984,0.266583918,0.363684683,0.061979702,0.213817399,0.294682805,0.252894268,0.240774777,-0.065019676,-0.168321089,0.058217098,-0.028366764,-0.112891138,-0.119313863,-0.030014213
8815,C18 H24 N4 O2,Granisetron metabolite 3 Esi+8.828986,328.1872,8.828986,0.156529102,0.34158282,0.04435626,0.303368728,0.064163272,0.162816053,0.149768547,-0.086624072,-0.142569485,-0.019882175,-0.097506628,-0.092158746,-0.041789798,-0.11553038
8816,C23 H3 Cl N O13 S2,C23 H3 Cl N O13 S2,599.8718,11.935037,1.038752787,0.998691399,1.028873488,1.07101627,1.002222095,1.023769688,1.012884455,0.693183597,0.697105568,0.688504754,0.721670421,0.703056602,0.727882655,0.670811836
8817,C44 H59 N O5,7-Epizucchini factor A Esi+13.764997,698.4731,13.764997,1.53548843,1.644707866,1.24477822,1.425064178,1.589171197,1.48678727,1.577076936,3.199807046,3.611999412,2.708068784,2.935029702,3.520143289,3.112789952,3.255910172
8818,C17 H39 N8 P,C17 H39 N8 P,386.3028,14.513975,1.12589691,0.861230273,1.43626279,1.010760086,1.235564271,1.012911932,1.195232998,0.847743359,0.681396637,1.046192079,0.816151031,0.892724808,0.813716859,0.869681497
8819,C35 H54 O12,Coroloside Esi+12.768002,664.3528,12.768002,0.00819283,0.204402322,0.328220142,0.100382717,0.133881434,0.076873305,0.030844697,0.082252934,-0.209349455,0.430129468,0.216740183,-0.120604828,0.134705149,0.048435059
8820,C21 H52 N7 O7 P,C21 H52 N7 O7 P,544.3628,13.145016,0.33076839,0.217763388,0.344956861,0.247673052,0.30592129,0.158073357,0.293449645,-0.150867701,-0.088221353,-0.225603695,-0.088701517,-0.252079739,-0.048230412,-0.217041742
8821,C31 H57 O8 P,PA(14:1(9Z)/14:1(9Z)),587.3687,14.326974,0.848611572,1.057098072,0.389757058,0.835660124,0.672356328,0.84522272,0.686934622,-0.505866791,-0.741936221,-0.224240102,-0.526866519,-0.456452338,-0.602333134,-0.443671386
8822,C28 H41 N2 O8,C28 H41 N2 O8 Esi+12.570008,533.2885,12.570008,1.838852066,1.589985651,2.168418119,1.696963409,2.065572554,1.684418836,1.989061978,2.512449166,2.239225033,2.838400764,2.393795181,2.673460536,2.304942845,2.646236137
8823,C41 H66 O12,Ursolic acid 3-[glucosyl-(1-4)-xyloside] Esi+14.648992,750.4553,14.648992,0.963107658,0.831075709,0.846841797,1.05181749,0.870418425,0.896629008,0.921621015,-0.629783651,-0.651518491,-0.603854369,-0.609751944,-0.687675812,-0.582445838,-0.660304083
8824,C27 H59 Cl N3 O S2,C27 H59 Cl N3 O S2,538.3602,15.197999,0.373393874,0.513144651,0.1875642,0.366355508,0.33961743,0.019769112,0.505369563,-0.304988617,-0.423519934,-0.163582836,-0.284079125,-0.309708893,-0.060357068,-0.46271159
8825,C35 H54 O13,Evobioside Esi+12.144025,682.3558,12.144025,1.122672337,1.070934555,1.194525659,1.108581255,1.160153328,1.165210793,1.11598153,1.132412035,0.996957247,1.29400722,1.169286045,1.071646521,1.077147915,1.168042849
8826,C22 H39 O7 P,"PA(19:3(10Z,13Z,16Z)/0:0)",446.2472,6.6429873,0.093381512,0.220327384,0.501789559,0.27041459,0.057176218,0.135430699,0.073866863,-0.116100066,0.37185784,-0.698225286,-0.117373301,-0.155400416,0.021274591,-0.204670568
8827,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+15.290027 :1",574.4588,15.290027,1.676675934,1.826072956,1.39133742,1.70927348,1.529694523,1.7159046,1.594913328,-1.680403718,-2.001147948,-1.297761479,-1.693290315,-1.652909377,-1.746405316,-1.637850057
8828,C10 H25 N14 P,C10 H25 N14 P,370.2056,8.480982,0.024499299,0.492394016,0.54078401,0.328145694,0.322089706,0.201114966,0.179086174,0.007303887,0.275178165,-0.312265427,0.120127927,-0.157432264,0.156454382,-0.088858931
8829,C14 H16 O5,1'-Acetoxyeugenol acetate Esi+5.8609962,264.0974,5.8609962,0.237551706,0.077127022,0.377455149,0.054959626,0.327837462,0.024190151,0.312554001,0.16656708,0.042582303,0.314478744,0.141331331,0.228985505,0.036611961,0.250353934
8830,C43 H76 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/15:0) Esi+11.274986",797.5152,11.274986,0.900189057,0.75349795,0.938761909,0.721059082,0.8777858,0.838683664,0.850602945,0.53858268,0.513477431,0.568532801,0.528993853,0.521964074,0.603232526,0.496900543
8831,<none>,<none> Esi+13.839039,532.7101,13.839039,0.622083218,0.670428939,0.4482965,0.634260789,0.548811034,0.408295083,0.642427956,-0.217042381,-0.256746779,-0.169675732,-0.154074167,-0.319588201,-0.110418282,-0.285786866
8832,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+8.369011",490.31,8.369011,0.169656396,0.408904476,0.16012387,0.241037365,0.007635451,0.427240401,0.037454151,0.06309306,0.243546831,-0.152185124,0.122374862,-0.040702503,0.263577479,-0.066166632
8833,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.22198",278.2244,16.22198,1.782497749,1.877500121,1.737039427,1.686451285,1.965501567,1.795047001,1.852072494,-2.066478723,-2.273652289,-1.819324293,-1.98732217,-2.171879591,-2.060250611,-2.070494216
8834,C14 H36 N5 O9 S,C14 H36 N5 O9 S,450.2225,10.496994,0.163538457,0.02664705,0.297858583,0.119266956,0.09472459,0.337295983,0.02896778,0.24302962,0.109955743,0.401784421,0.33818474,0.08740519,0.431558187,0.121478308
8835,C18 H35 N O,Dodemorph Esi+11.169996,281.2721,11.169996,2.186596977,2.22506208,1.996355052,2.300281422,2.022759842,2.097539702,2.184043782,-1.383383582,-1.457435509,-1.295040933,-1.401317214,-1.342810714,-1.374335129,-1.389217454
8836,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.5690155",550.3116,12.5690155,2.066624228,1.887265793,2.056697842,1.977063785,2.017886822,1.847532593,2.069912609,3.880742057,3.708400707,4.086342264,3.802221104,3.981997213,3.692690777,4.001985646
8837,C19 H O24,C19 H O24 Esi+9.220976,612.8863,9.220976,0.187492716,0.291658354,0.04372334,0.06202445,0.485228539,0.081428609,0.208018728,0.089609,0.201741667,-0.044163305,-0.059379258,0.284862766,0.067376054,0.103943399
8838,C31 H35 O18,"Cyanidin 3,5-di-(6-acetylglucoside)",672.1969,3.7930129,0.190836186,0.299605905,0.075045874,0.075996219,0.303363712,0.139795174,0.234512252,0.105490165,0.137291989,0.067551147,0.026366952,0.23637773,0.088048917,0.11673518
8839,C26 H59 N28 P,C26 H59 N28 P,794.5222,12.721984,1.333784248,1.31726053,1.44100048,1.430320535,1.215720359,1.437674564,1.345045992,0.703861025,0.72734371,0.675846593,0.763093326,0.599710801,0.77443627,0.658358564
8840,C37 H59 N9 O3 P,C37 H59 N9 O3 P Esi+12.979003,708.4465,12.979003,1.335543845,1.316754825,1.28898823,1.235855684,1.372297346,1.251989983,1.361646183,0.855652943,0.928558631,0.768677737,0.847986285,0.852782937,0.885652061,0.836311407
8841,C37 H60 O12,Glucosyl passiflorate Esi+13.532974,696.4079,13.532974,0.577029811,0.454962427,0.735643763,0.691566355,0.485361919,0.577700449,0.588914682,0.520514178,0.472925971,0.577286073,0.611474778,0.413537007,0.541976965,0.506676328
8842,C15 H2 O12 P S3,C15 H2 O12 P S3 Esi+13.319021 :1,500.8418,13.319021,1.825494673,1.933915926,1.883294549,1.877288862,1.953177488,1.97459806,1.903321225,0.943891571,0.996455501,0.881183726,0.959315886,0.90846521,0.988535325,0.915108098
8843,C28 H43 N O6,Borrelidin Esi+12.270016,489.3047,12.270016,1.79606587,1.987325289,1.598180501,1.831278368,1.777599092,1.919640055,1.755919573,0.933039641,1.073622728,0.765326485,0.961742577,0.874475663,0.993716405,0.893919096
8844,C31 H57 N8 O P,C31 H57 N8 O P,586.4297,15.083007,1.405703082,1.5144602,1.272646909,1.477611319,1.345869928,1.47652834,1.322328138,-0.800552129,-0.93774261,-0.636886293,-0.772764941,-0.85090253,-0.814324247,-0.791672738
8845,C30 H44 O9,Cymarin,548.2989,13.637968,2.222744237,2.173064054,2.438649605,2.278834801,2.411930931,2.4161765,2.270231896,1.822757098,1.673442564,2.000886717,1.726559961,1.949976314,1.849991559,1.805198037
8846,C26 H55 N O6 P S,2-thio-PAF Esi+10.487037,557.3762,10.487037,0.410838734,0.435145584,0.22476532,0.444653479,0.25114394,0.226885149,0.372951707,-0.212252383,-0.232190437,-0.188466634,-0.220889021,-0.226835305,-0.103611505,-0.282297159
8847,C44 H77 O8 P,"PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+9.107019",763.5283,9.107019,0.03104607,0.033755447,0.053870194,0.127484402,0.164126442,0.136128983,0.062063086,-0.232049511,-0.171252109,-0.304579746,-0.389220024,-0.044047864,-0.301228879,-0.187447024
8848,C14 H26 N6 O5,Ser Arg Pro,358.1974,8.931016,0.052230541,0.002285203,0.077892066,0.132491557,0.064695648,0.190008055,0.061787267,0.024875336,0.010578574,0.041931122,-0.022925692,0.06507267,-0.010464748,0.047660391
8849,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+13.81299 :1",375.3108,13.81299,0.646473852,0.888325462,0.180545715,0.521442683,0.64486645,0.539088712,0.698758098,-0.434976723,-0.651259459,-0.176955213,-0.41164717,-0.457910699,-0.419597502,-0.444892273
8850,C33 H54 N3 O11,C33 H54 N3 O11,668.3749,13.07497,1.800590711,1.659455566,2.135002773,1.835086131,1.852103431,1.84087288,1.838458048,1.795173021,1.678019128,1.93493556,1.802636431,1.766594672,1.803902026,1.78954511
8851,C36 H62 O9,Ginsenoside F1 Esi+10.910981,638.4382,10.910981,0.837746486,0.862448686,0.766619715,0.964954614,0.646162266,0.737082728,0.8452728,-0.53905033,-0.551037979,-0.524749276,-0.550957407,-0.540382014,-0.418503048,-0.616771604
8852,C19 H30 O3,[8]-Paradol,306.2171,10.971993,0.384784695,0.334360047,0.618206813,0.442085377,0.371976631,0.580972934,0.374978013,-0.194502387,-0.150621576,-0.246851425,-0.209560312,-0.17270471,-0.236169964,-0.167637765
8853,C35 H58 O11,Filipin III,654.402,12.224985,2.378047041,2.402745624,2.51425859,2.536281755,2.431672518,2.454786594,2.462048641,2.52023935,2.510651262,2.531677771,2.560379354,2.430121256,2.551358566,2.500175645
8854,C34 H64 O9 P,C34 H64 O9 P,647.4285,13.927001,0.829192744,0.573778668,1.129151448,0.862704821,0.72215051,0.809112688,0.777355483,0.76067583,0.551080566,1.010719303,0.830294817,0.661317023,0.742862584,0.772160686
8855,C41 H70 O12,Chikusetsusaponin Ia Esi+14.112042,754.4868,14.112042,0.979943665,1.009447294,0.807462774,1.131183045,0.858457059,0.871624643,1.025221241,-0.650155555,-0.635561327,-0.667566213,-0.581672754,-0.767564621,-0.485694605,-0.756189588
8856,C22 H42 O4,Dioctyl hexanedioate Esi+11.68701,387.3398,11.68701,0.722882465,0.687096153,0.569671409,0.581290474,0.75316608,0.5211521,0.771056315,-0.694196352,-0.825333015,-0.537752614,-0.69583462,-0.728250542,-0.632652962,-0.733875643
8857,C24 H49 N8 O,C24 H49 N8 O Esi+15.361031,465.4018,15.361031,0.140809561,0.124884144,0.138695197,0.230686472,0.060020374,0.416815488,0.074826636,-0.106842844,-0.086424277,-0.131201836,-0.152229826,0.012816309,-0.238892533,-0.021705545
8858,C19 H24 O5,Gibberellin A70,354.1457,10.331028,0.529655892,0.378867752,0.629162427,0.489845958,0.505019659,0.556803982,0.50020203,0.521689041,0.469311789,0.584174183,0.568169921,0.451596227,0.596203636,0.473646736
8859,C19 H42 N,Cetrimonium Esi+13.083986,283.3233,13.083986,0.436339913,0.509673339,0.444418965,0.539556889,0.419104251,0.4513542,0.492455455,0.267710158,0.318370577,0.207273168,0.292256048,0.24071531,0.226191498,0.294478768
8860,C30 H62 Cl N3 O P,C30 H62 Cl N3 O P Esi+15.072999,546.4342,15.072999,1.518572648,1.770220435,1.223899868,1.731228616,1.309947403,1.632117783,1.479974891,-1.884758946,-2.41272479,-1.254904956,-1.931773497,-1.768813632,-1.862592015,-1.899050783
8861,C32 H56 O12,Cuscutic resinoside A Esi+12.831033 :1,654.3586,12.831033,2.078512922,1.867110043,2.161631503,2.01520509,2.076831065,1.748169929,2.215031933,2.646673506,2.44732265,2.884495579,2.469559252,2.868847947,2.294802232,2.87353788
8862,C28 H54 O6,C28 H54 O6 Esi+14.395016 :1,486.3912,14.395016,0.93313848,1.032312083,0.62723952,0.84880795,0.893231125,0.720381949,0.932860993,-0.528343161,-0.654636656,-0.377677238,-0.474919979,-0.621291497,-0.39858513,-0.612002945
8863,C37 H82 N11 O9 S4,C37 H82 N11 O9 S4,952.5366,14.004958,0.345659358,0.553771272,0.058738832,0.3747451,0.299087153,0.340565597,0.310101113,-0.247789627,-0.53308353,0.092560994,-0.216926334,-0.323137761,-0.297047677,-0.216031147
8864,C26 H38 N12,C26 H38 N12,518.3361,15.310041,0.334315547,0.364316668,0.312471852,0.483099505,0.171328418,0.415835813,0.324093751,0.270312013,0.336271426,0.191623591,0.369679622,0.121428741,0.329574802,0.23210311
8865,C9 H16 O3,6-propionyl n-caproic acid,194.0928,5.0920005,0.09206653,0.073059358,0.32260177,0.082802923,0.069137744,0.195433547,0.027161769,0.098736698,0.157111943,0.029096056,0.159016049,0.017980409,0.043826478,0.13413934
8866,C23 H6 O21 P,C23 H6 O21 P Esi+9.972995,648.9145,9.972995,0.41977431,0.487248175,0.361077682,0.448401766,0.37539748,0.473819223,0.366286455,0.172657151,0.222730642,0.112920356,0.20385977,0.128538483,0.27055195,0.109540768
8867,C10 H22 O4,C10 H22 O4 Esi+8.275017,206.1511,8.275017,0.866919517,1.140159815,0.396325235,0.967964749,0.674860598,1.16733139,0.642083206,-0.562086254,-0.754391027,-0.332670033,-0.639778657,-0.433293938,-0.696744978,-0.475266814
8868,C20 H30 N4 O2,SB 939,358.2324,9.587994,0.220371782,0.312881688,0.301445821,0.596425009,0.096023855,0.51457976,0.086952799,0.22363626,0.223707302,0.223551508,0.38186843,-0.012900895,0.308595543,0.16885988
8869,C28 H36 N10 O4,C28 H36 N10 O4,576.2919,13.219976,1.230600761,1.353826909,0.84397718,1.133437968,1.161916844,0.988261975,1.29188435,-1.266945693,-1.502818342,-0.985553761,-1.177330236,-1.35782351,-1.225340632,-1.293770009
8870,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+8.894019 :1,440.1453,8.894019,0.336588849,0.44376318,0.011574998,0.452383955,0.055033934,0.183008903,0.299181296,-0.129557311,-0.279841357,0.049728919,-0.222978068,-0.017709622,-0.168395242,-0.104517066
8871,C29 H59 N8 O4,C29 H59 N8 O4 Esi+14.795963,583.4657,14.795963,0.814815684,0.748764454,0.769189773,0.800432472,0.736239213,0.791626595,0.751153513,0.580633353,0.578462797,0.583222789,0.596384024,0.542639836,0.595246453,0.57121175
8872,C25 H38 N7 O4,C25 H38 N7 O4,499.2704,11.282977,1.600576651,1.362922087,1.909287471,1.507735612,1.751654457,1.419823341,1.747526888,1.57277154,1.354635653,1.833003826,1.464380897,1.740935287,1.421918671,1.670031942
8873,C27 H49 N O4,C27 H49 N O4 Esi+12.86003 :1,451.3486,12.86003,1.331416616,1.161749566,1.482157532,1.359414063,1.199195049,1.245081275,1.400032183,0.824655682,0.793169194,0.862218509,0.876647335,0.736240955,0.803797696,0.838103593
8874,C42 H74 N O8 P,"PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) Esi+14.339042",750.5085,14.339042,0.716486585,0.57957045,0.925616436,0.889168567,0.572541429,0.929714535,0.645582313,0.514830281,0.44407837,0.599236071,0.575409915,0.409141866,0.60755688,0.455046027
8875,C15 H24 O4,Bisacurone epoxide,268.1667,8.458007,0.227113686,0.005498902,0.518547987,0.078395104,0.4818563,0.218696549,0.531548147,0.095877787,0.014012192,0.193542006,-0.006743782,0.244047559,-0.084214304,0.211989793
8876,<none>,<none> Esi+11.936017,670.7885,11.936017,0.865397357,0.764600528,0.704490283,0.76379918,0.65585559,0.393364518,0.923336711,-0.40093133,-0.418176866,-0.380357709,-0.353355335,-0.491191743,-0.18614836,-0.539409824
8877,C38 H74 N O9 P,PS(P-20:0/12:0) Esi+9.0909815 :2,719.5015,9.0909815,0.704079177,0.642094375,0.761333576,0.87996005,0.457619763,0.754997732,0.619225915,-0.502380791,-0.424935297,-0.594771908,-0.561417962,-0.443268102,-0.433794307,-0.546601025
8878,C25 H36 O5,6'-Exomethylenesimvastatin Esi+11.958007,416.2557,11.958007,1.968644099,2.018862033,1.741726993,1.97987537,1.827926702,2.077739055,1.810348368,2.255081566,2.477678648,1.989527153,2.373170832,2.053947653,2.51582805,2.086968701
8879,C11 H18 N2 O2,"L,L-Cyclo(leucylprolyl) Esi+2.7670064",210.1364,2.7670064,1.469628926,1.416022313,1.491668216,1.536007424,1.468030129,1.384060348,1.491058938,0.379871816,0.414287411,0.338814614,0.387208079,0.382016427,0.40415907,0.364212928
8880,C20 H38 N7,C20 H38 N7 Esi+14.389961,376.3184,14.389961,0.620667932,0.581383189,0.572316646,0.678184936,0.412315461,0.660120189,0.515883165,0.547588987,0.56131731,0.531211337,0.652143291,0.375203429,0.613771917,0.504918413
8881,C37 H60 O9,Goyaglycoside a Esi+12.482004,324.2176,12.482004,0.725433171,0.921446543,0.35834858,0.608874293,0.691022855,0.701741605,0.693922934,-0.449183203,-0.660779094,-0.196753017,-0.407148648,-0.461265176,-0.463020577,-0.440261738
8882,C30 H31 Cl3 N23 O4 P S,C30 H31 Cl3 N23 O4 P S,945.145,13.364012,0.277742242,0.315162054,0.0598323,0.338732681,0.012278806,0.127241022,0.294722147,-0.043695728,-0.102008386,0.025870251,-0.048508751,-0.05682191,0.010720962,-0.078780172
8883,C33 H62 N9 S2,C33 H62 N9 S2,648.4557,15.124019,0.824953884,0.73871385,0.775218034,0.798086009,0.766874988,0.710326416,0.780808146,-0.363375834,-0.363093682,-0.363712438,-0.324824853,-0.400822093,-0.311892966,-0.396568737
8884,C18 H34 O6,Sorbitan laurate Esi+13.041993,346.236,13.041993,1.373688531,1.401050365,0.99915073,1.347201448,1.147742185,1.446281618,1.13077596,-0.550308438,-0.642968296,-0.439766852,-0.561692105,-0.525620279,-0.671816257,-0.47196787
8885,C34 H64 N O8 P,"PE(17:2(9Z,12Z)/12:0) Esi+8.515997",662.463,8.515997,0.752658883,0.745322892,0.77843891,1.00645995,0.452587225,0.875323956,0.581894653,-0.411873633,-0.354731577,-0.480043104,-0.473391312,-0.343748512,-0.367874383,-0.44024157
8886,C8 H15 N2 S,C8 H15 N2 S,171.0964,4.5609884,0.23084846,0.073844729,0.242283604,0.033002636,0.341288656,0.031788223,0.305125872,-0.032807978,-0.014219192,-0.054984074,0.081528513,-0.21710504,0.168248213,-0.162436312
8887,C12 H20 O6,Glycerol tripropanoate Esi+5.488002,282.1078,5.488002,0.729853489,0.842071909,0.461938985,0.705762763,0.740368185,0.495513113,0.864960698,-0.322820229,-0.347017851,-0.293952891,-0.267325378,-0.403265582,-0.17059656,-0.420964437
8888,C28 H10 N4 O18 P,C28 H10 N4 O18 P Esi+12.507016,720.9723,12.507016,1.549542284,1.522009622,1.640505009,1.564927728,1.529923394,1.591754475,1.588341764,0.853712894,0.883737085,0.817894561,0.87999917,0.794173666,0.914846869,0.814297568
8889,C21 H30 O5,(R)-Humulone Esi+7.4160094,362.2136,7.4160094,0.106769775,0.215895848,0.05850786,0.224783753,0.014690362,0.159081528,0.009822327,-0.002733378,-0.080129416,0.089598737,-0.026518171,0.022800826,0.006182183,-0.008481569
8890,C24 H29 N O9,Codeine-6-glucuronide,497.166,11.120026,0.199263425,0.001388944,0.457252493,0.314518168,0.107312924,0.16450503,0.418148631,0.080049099,0.04884205,0.117278561,0.097382719,0.049901307,-0.00442261,0.134511121
8891,C21 H43 O7 P,LPA(0:0/18:0) Esi+8.599985,438.2685,8.599985,0.201042523,0.464334699,0.208704711,0.356722645,0.162466653,0.552091293,0.093586238,-0.12196523,-0.243390144,0.022892562,-0.240907394,0.061951665,-0.282564786,-0.018420779
8892,C36 H65 N O13,Erythromycin C Esi+13.219977,719.4472,13.219977,1.127633235,1.165061664,0.93862764,1.098608521,1.006411087,1.12473317,1.024585906,1.444923257,1.461377086,1.425294128,1.625589847,1.162817764,1.493690395,1.413481287
8893,C21 H28 O8,3-O-Methylniveusin A Esi+8.777985,408.1764,8.777985,0.196855468,0.179182099,0.075517948,0.157792396,0.113274121,0.067001142,0.207941389,-0.066434242,-0.065824449,-0.067161715,-0.032182514,-0.125138252,-0.022315828,-0.09487901
8894,C23 H28 O7,Erioflorin methacrylate Esi+11.728022,438.1677,11.728022,1.96019742,1.697049027,2.305939945,1.96587555,2.039094588,2.016569924,1.97294112,1.666414039,1.456157986,1.917245821,1.588323169,1.770686771,1.65978732,1.670686528
8895,C26 H50 N6 O2,C26 H50 N6 O2,478.4031,16.770998,0.911647729,1.016500141,0.76688717,1.001459101,0.778844896,0.931994118,0.851585877,-0.701155718,-0.784170524,-0.602120512,-0.738675542,-0.677070015,-0.625306381,-0.750058581
8896,C28 H40 N7 O17 P3 S,Benzoyl-CoA,893.1205,14.18799,0.923775972,0.966148585,0.797647927,1.109832961,0.787734807,1.000578916,0.917430379,-0.54223405,-0.644356459,-0.420403807,-0.514829967,-0.610845706,-0.573886849,-0.521826324
8897,C44 H78 O P S4,C44 H78 O P S4,778.4491,13.927982,0.085562648,0.318188322,0.346553364,0.05592922,0.056990808,0.05698615,0.046676127,0.007649238,-0.276227781,0.346309541,0.042435764,-0.061011944,-0.042879348,0.040226879
8898,C23 H47 N O7 P,PC(15:1(9Z)/0:0) Esi+12.625983,479.3018,12.625983,0.978561738,1.06021681,0.802067172,0.804011473,0.905138647,1.03371175,0.876439212,-0.639739076,-0.688016651,-0.582144775,-0.571919551,-0.705771163,-0.67617077,-0.616250221
8899,C25 H28 N6 O,Irbesartan,428.233,16.291994,0.246319771,0.250708702,0.26596182,0.444221974,0.034531677,0.486688139,0.13231048,-0.185858974,-0.235911225,-0.126147516,-0.256785123,-0.087986641,-0.300783669,-0.111762789
8900,C28 H48 O5,2-Deoxybrassinolide Esi+13.820011,464.3543,13.820011,0.585771143,0.752463589,0.222774091,0.503464348,0.513967225,0.68189142,0.405232233,-0.458515458,-0.881176153,0.045711337,-0.350583738,-0.612153413,-0.749961031,-0.270609759
8901,C48 H85 N O16,C48 H85 N O16 Esi+14.197018,931.5891,14.197018,0.616957904,0.836691806,0.200805074,0.585439468,0.450972975,0.604181295,0.508936641,-0.592554655,-0.95345705,-0.16200443,-0.548491379,-0.632699615,-0.685404788,-0.532690754
8902,C28 H46 N7,C28 H46 N7,480.3802,14.592026,0.615426467,0.648349446,0.387730129,0.607586885,0.484329074,0.557005333,0.529788258,-0.278385742,-0.339195917,-0.20584027,-0.301955024,-0.252749011,-0.264345695,-0.287437878
8903,C23 H49 N O4 P,Elaidylphosphocholine Esi+9.147976,456.3169,9.147976,0.360992356,0.32858201,0.358722228,0.461403387,0.109143495,0.648988531,0.154363184,-0.601541331,-0.607426955,-0.594519884,-0.794320149,-0.308760487,-0.907767475,-0.404106054
8904,C18 H46 N6 P,C18 H46 N6 P,377.352,4.745985,0.17917623,0.019357342,0.45806422,0.080850174,0.268330566,0.08965405,0.204465212,-0.123212414,-0.046739593,-0.214443147,-0.056037046,-0.196146609,-0.050579217,-0.170041711
8905,C35 H68 N O7 P,PE(P-16:0/14:1(9Z)),667.4574,11.378003,0.685474455,0.653196936,0.607627223,0.807567757,0.432982645,0.545244245,0.6736824,-0.340291348,-0.349468749,-0.32934287,-0.375748511,-0.310313582,-0.263784107,-0.389618385
8906,C28 H42 N29 O8 P,C28 H42 N29 O8 P,943.3507,0.8679974,1.474709394,1.575782052,1.374395654,1.57874446,1.344673223,1.577448371,1.43002562,-1.002971671,-1.098225063,-0.889336046,-1.092573233,-0.854516349,-1.17072254,-0.894816506
8907,C16 H24,(+)-Vulgraon B Esi+9.756997,233.2141,9.756997,0.019867967,0.179145374,0.18693087,0.218180709,0.193406308,0.159325428,0.073456912,0.06740206,-0.00743661,0.15668328,0.009792518,0.127507671,0.044075939,0.082441269
8908,C16 H33 N O2,2S-aminohexadecanoic acid,271.2507,10.525974,0.279772816,0.438949175,0.048432648,0.181237777,0.281477238,0.295494185,0.267647202,-0.075960714,-0.151457755,0.014105931,-0.031422554,-0.099630908,-0.088696787,-0.067749298
8909,C21 H39 N O4,N-Oleoyl-L-Serine Esi+10.197999,391.2718,10.197999,0.436151616,0.402418898,0.388112373,0.277795596,0.582989373,0.455718208,0.436769901,0.257846502,0.337668676,0.16262005,0.19896373,0.329695998,0.293201853,0.235051605
8910,C56 H85 N O13,Prorocentrolide Esi+14.64898,978.59,14.64898,1.003139164,1.044045248,0.909014513,1.048722937,0.925418311,0.781339451,1.091148604,-1.057691957,-1.191706572,-0.897814871,-0.991824564,-1.142432108,-0.798481653,-1.224814389
8911,C47 H77 O13 P,"PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.158992",880.5177,14.158992,1.033469891,0.894842461,1.031260467,1.010355205,0.983193165,0.920800829,1.015526752,0.684947447,0.651865342,0.724413817,0.696209153,0.649593848,0.672765086,0.692801864
8912,C16 H24 O5,"3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide Esi+6.936006",296.1596,6.936006,0.650204475,0.565900075,0.694180712,0.466949777,0.709306576,0.82105644,0.495392232,-0.386389247,-0.293688266,-0.496979892,-0.35576896,-0.426714568,-0.432549296,-0.356628163
8913,C8 H14 N2 O5 S,?-Glu-Cys Esi+5.316001,250.0611,5.316001,0.24962724,0.386032652,0.091128742,0.372955412,0.280848175,0.311939409,0.215746986,-0.184412644,-0.305336145,-0.040153028,-0.210728838,-0.162558024,-0.226286058,-0.157415311
8914,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+8.978021,440.1454,8.978021,0.090490227,0.193231243,0.101640696,0.220977406,0.1930027,0.060256124,0.070187876,0.040981091,-0.06258822,0.164537461,-0.045929505,0.150611802,0.012396059,0.059410913
8915,C36 H56 N7 O7,C36 H56 N7 O7,696.4295,12.815988,0.637599663,0.847145242,0.210351994,0.488140243,0.698409419,0.722487067,0.445093614,-0.352761852,-0.558501439,-0.107318134,-0.299102161,-0.427393234,-0.495282311,-0.260873661
8916,C30 H44 N7 O18 P3 S,(R)-Phenyllactyl-CoA Esi+14.031986,937.1472,14.031986,0.550765031,0.533641129,0.41802973,0.608330983,0.212510421,0.279356132,0.537284401,-0.176429272,-0.193330909,-0.156265916,-0.187246969,-0.178151923,-0.079704912,-0.23879103
8917,C24 H35 N O2,N-Arachidonyl Maleimide Esi+8.048981,369.2721,8.048981,0.547932231,0.45317856,0.795387283,0.683395136,0.534768854,0.721922068,0.471423642,-0.52183027,-0.436501263,-0.623626278,-0.57002164,-0.499822475,-0.647327847,-0.440917358
8918,C11 H23 N O7 P,PC(0:0/3:1(2E)) Esi+5.137992,289.1554,5.137992,0.108525483,0.040324213,0.179030534,0.053741073,0.281765024,0.032322093,0.165929514,-0.463653107,-0.401548963,-0.537742262,-0.362889662,-0.581913502,-0.370587204,-0.523656124
8919,C46 H79 O8 P,"PA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+10.725981",789.5436,10.725981,0.847864805,0.842540968,0.784795668,0.742417387,0.772352824,1.113168023,0.621539326,0.366387616,0.401646205,0.324324738,0.370703759,0.330763356,0.534515289,0.257989511
8920,C23 H36 N2 O,C23 H36 N2 O Esi+12.513982,356.2709,12.513982,0.815357169,1.140199724,0.283722606,0.813344182,0.730149931,1.049459788,0.595241037,-0.29969884,-0.490740914,-0.071788998,-0.293060099,-0.282640953,-0.418783425,-0.222920621
8921,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+16.16303",404.3641,16.16303,1.396027731,1.425521563,1.108667017,1.335482977,1.248718476,1.244581379,1.351698772,-1.081973909,-1.237600679,-0.896313902,-1.090935032,-1.073444564,-0.999795625,-1.134957276
8922,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+10.090006",419.3485,10.090006,1.039849411,1.242192024,0.462396757,1.18141145,0.890144903,1.065261315,1.019353407,-0.4157016,-0.565672308,-0.236789176,-0.459540834,-0.370297678,-0.405868474,-0.422041378
8923,C23 H43 N O3 S,N-oleoyl methionine Esi+8.056022 :1,413.2983,8.056022,0.552878818,0.527026157,0.554076518,0.72205928,0.287713211,0.903015697,0.267476857,-0.736472028,-0.680572621,-0.803159039,-0.900066723,-0.500512162,-1.01744443,-0.555318768
8924,C15 H24 N6 O5,His Asn Val Esi+8.668974,368.1808,8.668974,0.676660665,0.751188067,0.450252935,0.85736242,0.377048749,0.905346386,0.497148679,0.395250962,0.473179585,0.302283482,0.52537321,0.234751979,0.514788449,0.31818074
8925,C20 H27 N O3,Pipertipine Esi+7.493011,328.1915,7.493011,0.563283274,0.52675256,0.38903213,0.399604535,0.495091534,0.433133473,0.504531843,0.36273083,0.421908405,0.292133022,0.36984476,0.360789066,0.38521586,0.348233903
8926,C36 H61 N5 O6,C-12 NBD Ceramide,659.4596,14.829033,0.066752603,0.525365693,0.580026565,0.210304683,0.162331823,0.318241626,0.134573684,0.041380472,-0.336701652,0.492425812,-0.059205838,0.18129484,-0.1956298,0.194189726
8927,C28 H55 N O4 S,(Z)-2-Hexacos-17-enamidoethanesulfonic acid Esi+14.76903,478.3957,14.76903,0.420343435,0.543982582,0.262818956,0.439682403,0.353026131,0.426804757,0.368179155,-0.327113026,-0.426393619,-0.208673019,-0.397726861,-0.239350588,-0.39691068,-0.282111906
8928,C11 H23 N O2,11-amino-undecanoic acid,201.1726,0.8650018,0.28281537,0.051575516,0.614788368,0.009582602,0.633650042,0.043196065,0.548982019,0.177838046,0.060537854,0.317775117,0.099105684,0.279737046,0.087101706,0.236339107
8929,C16 H32 N O4,"2,6 dimethylheptanoyl carnitine Esi+7.921014",301.2311,7.921014,0.404256925,0.48685932,0.440672421,0.617470667,0.058196358,0.660827421,0.272485152,-0.192505933,-0.198978018,-0.184784851,-0.369187183,0.046764457,-0.395053865,-0.06191582
8930,C36 H36 N4 O8,Dehydroisocoproporphyrin,669.2846,9.156988,0.864570545,0.895920427,0.689058075,0.91862581,0.506585171,0.859725445,0.75378464,-0.58024304,-0.652646653,-0.493866802,-0.713737361,-0.41118964,-0.692687645,-0.507745861
8931,C27 H59 N8 S2,C27 H59 N8 S2,559.4405,9.546003,0.648258458,0.552255169,0.717351081,0.686073916,0.558641773,0.730905083,0.595119335,0.509175063,0.462905093,0.564374325,0.528940243,0.460678484,0.559071905,0.47700473
8932,C21 H41 N5 O2 P,C21 H41 N5 O2 P,426.2972,14.039008,0.647159086,0.483218025,0.866700384,0.764397139,0.510338001,0.554098492,0.735381574,0.405154091,0.312636419,0.515526051,0.45996384,0.318085534,0.363167879,0.432224149
8933,C26 H22 O15,Mangiferin 6'-gallate Esi+4.835999,574.0988,4.835999,1.003714785,1.048631657,1.104901431,0.798604277,1.225591756,1.245854553,0.921328613,0.969368802,0.974564704,0.963170182,0.906501673,1.022792188,1.20808533,0.815459462
8934,C20 H28 N25 O P,C20 H28 N25 O P Esi+5.797985,665.2647,5.797985,1.877783716,1.785777196,1.794039477,1.675621224,2.043813912,1.68155243,1.929897476,1.587798644,1.643515482,1.521329433,1.438990666,1.815709474,1.561257618,1.604910621
8935,C15 O15 P S5,C15 O15 P S5,610.7591,13.790024,0.553581372,0.535404436,0.243602195,0.647708031,0.167685964,0.321421767,0.505482777,-0.167863948,-0.217519968,-0.108625189,-0.182806574,-0.162562136,-0.080421958,-0.224241021
8936,C35 H58 N6 O7,N-Acetyl-leu-leu-leu-leu-tyr-amide Esi+13.895016,691.4659,13.895016,0.251755904,0.038193262,0.461189417,0.262571156,0.107157958,0.196296614,0.247952069,0.146897098,0.0272506,0.289633271,0.180396468,0.086092548,0.146907815,0.146890188
8937,C16 H26 N6 O6,Asp His Lys,398.1893,12.663996,0.800161447,0.777704213,0.971214538,0.701363199,1.174581748,0.738010624,0.986722961,0.554938292,0.413328161,0.723876694,0.451712977,0.735462938,0.374516571,0.671262823
8938,C34 H50 O6,"(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate Esi+14.596994",554.3578,14.596994,0.687018978,0.660629788,0.746592733,0.659364247,0.695117083,0.816699967,0.592565206,0.729247537,0.688842378,0.777450183,0.741477037,0.686831773,0.890704177,0.625150493
8939,C35 H70 O8 P S,"1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine Esi+14.464042",658.4737,14.464042,0.227197278,0.25444917,0.13956665,0.126765069,0.286240741,0.078521373,0.258112766,-0.11622015,-0.138006891,-0.09022895,-0.029294464,-0.217110507,-0.017098206,-0.180127719
8940,C34 H63 N O6 P,C34 H63 N O6 P,612.438,15.125,1.190584875,1.341514111,0.960292049,1.205626273,1.112321134,1.217516664,1.114194978,-0.971051454,-1.23077474,-0.66120613,-0.941084655,-1.016196236,-1.062690232,-0.911968558
8941,C18 H19 N6,CAY10498 Esi+10.284016,336.1904,10.284016,0.934451089,0.646014695,1.356447816,1.032764341,0.987679937,0.835094586,1.0061243,0.573987488,0.381067295,0.804137895,0.607331726,0.562635996,0.496966816,0.623645553
8942,C27 H57 O3 S3,C27 H57 O3 S3,525.3442,13.218995,0.012843156,0.383955879,0.49818503,0.11579332,0.071184021,0.065666172,0.070604716,-0.051127803,0.202287078,-0.35344731,-0.059644747,0.008408076,0.032511901,-0.105053401
8943,C13 H24 N6 O7,Arg Ser Asp Esi+5.189989,376.171,5.189989,0.343567229,0.149138969,0.591935142,0.576813246,0.157690641,0.622406811,0.137689822,0.215821032,0.106310663,0.346464981,0.258086128,0.180077326,0.377826079,0.11137041
8944,C42 H87 N4 O3 P S4,C42 H87 N4 O3 P S4,854.5394,14.326971,0.233225759,0.413878014,0.067131295,0.015240406,0.337217281,0.208739502,0.157230277,-0.043926334,-0.270446189,0.226307878,0.040492584,-0.184674861,-0.111837265,-0.000141656
8945,C28 H55 N9 P,C28 H55 N9 P,546.4281,16.501968,0.414887875,0.457020754,0.267114569,0.512034311,0.369209221,0.519512029,0.31114153,-0.106959616,-0.173265702,-0.027857619,-0.082345908,-0.129008368,-0.137730524,-0.087120478
8946,C22 H42 N3 O P S,C22 H42 N3 O P S Esi+6.4219975,427.2604,6.4219975,0.274665597,0.003627259,0.548005079,0.065009965,0.491040803,0.016673479,0.404443366,0.186010733,-0.045263079,0.461916333,0.007992325,0.422198971,-0.031230348,0.326074062
8947,C18 H32 N3 O S2,C18 H32 N3 O S2,370.1971,8.479003,0.028550407,0.426622171,0.577718098,0.101188001,0.023422552,0.133007843,0.180414368,0.033866325,0.347927642,-0.340803316,-0.033068484,0.117003916,0.187300286,-0.065058202
8948,C22 H39 N,C22 H39 N Esi+12.336982,317.3075,12.336982,0.601113127,0.617124014,0.260495216,0.456216846,0.615085978,0.725720595,0.411245553,-0.163149734,-0.210954424,-0.106119578,-0.126162447,-0.210989566,-0.207202277,-0.134747437
8949,C7 H8 N2 O2,4-Amino-2-nitrotoluene Esi+1.4530022,152.058,1.4530022,0.299466661,0.541981755,0.119769222,0.300228948,0.30984353,0.31320277,0.231764419,0.152703582,0.338675133,-0.069157216,0.15147133,0.155938215,0.23572311,0.099177834
8950,C25 H40 N2 O7 S,Lipoxin D4 Esi+9.009007,512.2585,9.009007,1.541981377,1.464118428,1.351764831,1.527380053,1.350694372,1.470275589,1.444509444,2.215012177,2.226265535,2.201587118,2.238427531,2.168790303,2.209088274,2.218831536
8951,C25 H37 N O2,UCM707 Esi+8.774013 :1,383.2877,8.774013,0.751300192,0.645580376,0.742668409,0.809824339,0.52246069,0.711870676,0.625540278,-0.603654536,-0.488096453,-0.741513302,-0.582187397,-0.648406546,-0.505161266,-0.667156776
8952,C28 H40 N2 O2,Termitomycamide B Esi+10.4419985,453.3295,10.4419985,0.331479085,0.345951572,0.356025577,0.265427217,0.428587857,0.57319015,0.270379976,0.238830569,0.30714666,0.157330671,0.167801971,0.286467622,0.556271873,0.034164465
8953,C30 H58 N10 O2 P,C30 H58 N10 O2 P,621.4534,14.978023,0.901975041,1.029335779,0.661286126,0.970496389,0.774676223,0.947248851,0.786884155,-0.736862775,-0.901017018,-0.541029643,-0.710163953,-0.772014264,-0.815607612,-0.686093077
8954,C39 H77 N18 O5,C39 H77 N18 O5,877.6283,14.256033,0.99761987,1.077722425,0.628029073,0.893617347,0.940752679,0.941073651,0.928788946,-0.457947483,-0.578894489,-0.313659827,-0.412463077,-0.52426727,-0.4804367,-0.443447856
8955,C16 H32 N8 O5,Arg Lys Asn,415.2413,5.4439816,0.062575059,0.408880086,0.288558161,0.109879301,0.204711088,0.165743349,0.315991439,-0.018581727,-0.184532407,0.179394522,0.009677362,-0.056675138,0.053434871,-0.065013481
8956,C29 H28 N4,Usambarensine Esi+9.343012,432.2272,9.343012,1.510612677,1.540648781,1.58596408,1.568718271,1.605663541,1.629970552,1.590223737,1.458435866,1.467720486,1.447359478,1.446602537,1.437299766,1.488024601,1.439358919
8957,C45 H59 N7 O2,C45 H59 N7 O2,729.4743,11.531005,1.00773786,0.784913907,1.118827604,0.929904329,0.88100576,0.950721532,0.933362263,0.901589487,0.828975396,0.988216824,0.939048407,0.81784372,0.996549055,0.840365555
8958,<none>,<none> Esi+13.417987,623.0832,13.417987,1.463597733,1.388532176,1.528207676,1.407030726,1.514986312,1.472513481,1.461504627,1.225620441,1.255784156,1.189635659,1.224220567,1.205219377,1.257474936,1.205082675
8959,C22 H45 N O,Docosanamide Esi+11.008033,339.3496,11.008033,0.120693655,0.316578358,0.138808717,0.11299142,0.100951455,0.130307034,0.123383631,-0.01513692,-0.086022972,0.069428895,0.014956873,-0.058255943,0.033435303,-0.046453222
8960,C24 H49 N8 O2,C24 H49 N8 O2 Esi+14.332018,481.3968,14.332018,0.679669339,0.524777914,0.961401878,0.677496449,0.819173276,0.466451816,0.869715622,0.398259245,0.33017391,0.479483854,0.361662187,0.429773608,0.266657842,0.483107517
8961,C33 H71 N P S2,C33 H71 N P S2,576.4746,16.251968,2.1007523,2.233080419,1.938102957,2.232220708,2.002039998,2.306347756,2.002667864,-2.030857512,-2.231394857,-1.791619979,-2.04222685,-2.012807184,-2.059684188,-2.012271893
8962,C15 H24 O4,Bisacurone epoxide Esi+8.709986,268.1669,8.709986,0.020005418,0.181014882,0.149741745,0.238105226,0.22067636,0.034474904,0.004582164,0.037133596,-0.048164516,0.138892747,-0.060641252,0.148017099,0.050699181,0.028387364
8963,C14 H20 N13 O,C14 H20 N13 O,386.1901,5.76099,1.150583205,0.974444919,1.06909533,0.91152007,1.262013642,0.931299398,1.127023423,-0.905925541,-0.776433735,-1.060406993,-0.737786013,-1.174471819,-0.71334498,-1.030089323
8964,C25 H36 N O6,"Mivacurium Metabolite (Isoquinolinium, 1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7-dimethoxy-2-methyl Esi+10.072999",463.2771,10.072999,0.719307112,0.615518479,0.727185214,0.733215742,0.628817257,0.955833603,0.506651485,0.563556376,0.563378851,0.563768161,0.57862324,0.505121629,0.747634412,0.444874485
8965,C31 O14 P,C31 O14 P Esi+9.998023,626.9017,9.998023,0.464858811,0.391585904,0.612542585,0.533572056,0.459574821,0.295571928,0.543457295,0.209312286,0.189616676,0.232808805,0.236322387,0.193048367,0.179904246,0.228272734
8966,<none>,<none> Esi+12.757017 :1,518.6954,12.757017,0.608302893,0.790637268,0.329834574,0.742108651,0.427620109,0.700995184,0.533953985,-0.330975783,-0.390693146,-0.259734017,-0.337521652,-0.322461006,-0.331328937,-0.330748091
8967,<none>,<none> Esi+13.221982,508.6914,13.221982,0.012394729,0.157923983,0.283465831,0.120249651,0.312731953,0.171823107,0.235524121,0.037612551,-0.00798039,0.092004128,0.012080765,0.0634751,-0.019055816,0.074148735
8968,C15 H21 N O,2-Methyl-?-pyrrolidinobutiophenone,231.1617,13.635009,1.407897208,1.674263331,1.021521034,1.399238289,1.281201508,1.526010948,1.296411395,-0.423679923,-0.514106942,-0.315802076,-0.442623924,-0.387763623,-0.512140289,-0.366646266
8969,C11 H18 N3 O2,C11 H18 N3 O2,224.1468,14.614013,0.746303208,0.708317314,0.609877567,0.708664521,0.615925435,0.747392049,0.644586307,0.519217167,0.529531612,0.506912215,0.5594335,0.456530938,0.577887167,0.481390456
8970,C33 H21 N5 O6 S2,C33 H21 N5 O6 S2,646.1092,12.434011,0.764088462,0.664704171,0.666891337,0.637842764,0.71265486,0.590034244,0.702952824,-0.49219797,-0.461583149,-0.528720913,-0.308606455,-0.773208285,-0.335968515,-0.592924855
8971,C22 H41 N O2,"Anandamide (20:2, n-6) Esi+10.82398",368.34,10.82398,0.289127437,0.304586566,0.288520147,0.183313312,0.253328542,0.333652967,0.195699064,-0.050653911,-0.097032928,0.004675443,-0.050648721,-0.040830478,-0.109766643,-0.012541755
8972,C30 H48 O3,3-Epimasticadienolic acid,473.3912,13.132015,0.720202845,0.627017742,0.699059463,0.50392069,0.838499432,0.481852212,0.756960024,-0.464457098,-0.490149628,-0.433806361,-0.433713616,-0.532310393,-0.485425021,-0.450938306
8973,C15 H22 O,Isohumbertiol,235.193,7.208007,0.226907994,0.372559678,0.000194904,0.290704323,0.174533063,0.432403294,0.057070117,-0.03011146,-0.054354961,-0.001189389,-0.020050743,-0.046770539,-0.066157267,-0.006871401
8974,C30 H44 N3 O3,C30 H44 N3 O3,492.3181,15.302982,0.364508453,0.260372057,0.41443477,0.468738457,0.180793413,0.378122886,0.266557757,-0.092612036,-0.081657809,-0.105680237,-0.126580593,-0.06411097,-0.118870973,-0.075681932
8975,C23 H49 N O7 P,PC(7:0/O-8:0) Esi+13.448979,481.3187,13.448979,0.017566529,0.094572356,0.125351919,0.177838728,0.322884264,0.041103097,0.116988137,0.105351876,0.202360477,-0.010377683,-0.039657588,0.287184317,0.175406786,0.060184894
8976,C27 H39 N O5,N-docosahexaenoyl glutamic acid,456.2718,10.864012,1.667305126,1.623732476,1.553099623,1.762720498,1.383463614,1.689028486,1.551437857,2.06790042,2.066640521,2.069403459,2.236337974,1.803179334,2.241467386,1.955995403
8977,C13 H23 N4 O4,2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine,276.1907,8.774015,0.093233867,0.072606352,0.061876351,0.062080565,0.186161117,0.064641806,0.115337968,0.035876113,0.077996876,-0.014373219,-0.006626524,0.074273246,0.047908969,0.028118087
8978,<none>,<none> Esi+9.112033 :1,436.7813,9.112033,0.106954566,0.15676079,0.036344316,0.097941879,0.364965088,0.165246439,0.254528521,-0.124718783,-0.018049107,-0.251973835,-0.282767597,0.070543098,-0.247427144,-0.045604182
8979,C20 H35 N8,C20 H35 N8,387.2975,10.118001,0.31504508,0.281198608,0.343403093,0.188662847,0.423575569,0.334431008,0.359347378,0.222595322,0.258596897,0.179646076,0.238649687,0.19841658,0.274445968,0.189165301
8980,C47 H78 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",815.5386,14.275951,0.77713221,0.887733296,0.413069257,0.428259475,0.965546076,0.573959991,0.768186101,-0.482994604,-0.621451275,-0.317818225,-0.34557032,-0.662885691,-0.445978476,-0.506860265
8981,C49 H74 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.556956",832.5059,14.556956,0.40636223,0.317036097,0.495087593,0.408863227,0.340742435,0.641722176,0.246934698,0.294498455,0.257937359,0.338115201,0.350086513,0.209751206,0.452379747,0.19270657
8982,C35 H32 N2 O10,Citbismine A,640.2119,6.3499885,1.377384039,1.316622636,1.147670948,1.252289506,1.287817126,1.06009193,1.392332502,-0.857124811,-0.903038969,-0.802350027,-0.782884771,-0.954019916,-0.773338878,-0.91114469
8983,C37 H59 N9 O3 P,C37 H59 N9 O3 P Esi+12.972973,708.4469,12.972973,1.70455092,1.710591376,1.652744135,1.652917715,1.704450815,1.682736928,1.711023339,0.895331448,0.943333038,0.838066393,0.9017204,0.876635403,0.922549381,0.877783044
8984,C28 H34 N5 O24 P S,C28 H34 N5 O24 P S Esi+12.842025,887.1037,12.842025,0.163061348,0.078308558,0.372880595,0.161238907,0.283733777,0.251502133,0.16428984,0.139908114,0.103954162,0.182800548,0.149479573,0.106709222,0.179885276,0.114133365
8985,C32 H61 O8 P,PA(17:1(9Z)/12:0) Esi+13.952958,603.4028,13.952958,0.049151461,0.011113829,0.169686972,0.154192649,0.133257782,0.080376782,0.007075528,0.09048588,0.039572125,0.151225096,0.239750133,-0.135977945,0.16922416,0.039720409
8986,C26 H53 N21 O4 P,C26 H53 N21 O4 P,754.4326,8.281005,0.058294509,0.14240473,0.305409479,0.039085101,0.28263627,0.233785223,0.22692908,-0.1021413,0.086606149,-0.327313696,-0.036925685,-0.212717632,0.120107308,-0.245433166
8987,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+13.806961",734.4229,13.806961,0.38500545,0.482993474,0.081218705,0.447229089,0.277223512,0.215216859,0.446279116,-0.250775831,-0.433842886,-0.032380046,-0.242330895,-0.283780935,-0.196377843,-0.285848219
8988,C17 H2 Cl3 N2 O11 P S3,C17 H2 Cl3 N2 O11 P S3,640.7789,13.663025,0.243529198,0.312937023,0.207451093,0.235164078,0.31701073,0.432818919,0.175759059,0.141997366,0.174228756,0.103545882,0.123776561,0.146930574,0.209214838,0.098659785
8989,C28 H55 O9 P,PG(22:1(11Z)/0:0) Esi+10.939965,583.3819,10.939965,0.182387645,0.030764229,0.505232181,0.046691671,0.307644079,0.067243481,0.297273378,0.283778779,0.175544164,0.412900777,0.302238669,0.225916538,0.257275852,0.300866193
8990,C25 H43 N23 O4 P,C25 H43 N23 O4 P,760.3611,13.454026,1.325879404,1.210499234,1.401041792,1.343218081,1.325645675,1.222895907,1.376003612,0.969207655,0.850317782,1.111041188,0.956473521,0.978956428,0.85792497,1.040955702
8991,C20 H34 O7,Oleandolide Esi+10.83699,386.2297,10.83699,0.496364775,0.460637404,0.471846372,0.554644971,0.399225324,0.533803931,0.4730695,0.532019364,0.538449365,0.524348486,0.643502724,0.355627675,0.636942321,0.464371669
8992,C28 H44 S,C28 H44 S,412.3155,14.789008,1.258725599,1.041019229,1.380527423,1.106461091,1.306350077,0.904564549,1.450675407,0.931493759,0.839898095,1.040765779,0.849535091,1.020646059,0.756026459,1.044623991
8993,C22 H49 N10 O2,C22 H49 N10 O2,485.4038,9.536994,0.524768181,0.737514071,0.284412824,0.567549371,0.547939775,0.444499705,0.59444445,-0.429015762,-0.594137084,-0.232028921,-0.385155038,-0.510239689,-0.373522091,-0.464794576
8994,C17 H28 N6 O5,Gln His Ile Esi+11.366965,396.2102,11.366965,1.804337497,1.614176444,1.992376452,1.681905782,1.921170487,1.736126878,1.82666573,1.307142917,1.133692405,1.514066335,1.197041103,1.473197483,1.245078051,1.347158423
8995,C7 H10 O,2-Isopropylfuran,110.073,5.620983,0.213742888,0.143090643,0.2791383,0.481812528,0.035639586,0.377577601,0.118640133,-0.066353864,-0.071059556,-0.060740057,-0.128177359,0.008134154,-0.124802242,-0.028670042
8996,C11 H2 Cl2 N O2 P S5,C11 H2 Cl2 N O2 P S5,440.7802,4.8299985,0.238849824,0.231339166,0.317206713,0.122455685,0.50877083,0.172157216,0.354694546,0.112052391,0.086623599,0.142388494,0.088266713,0.158576949,0.087269705,0.128030701
8997,C49 H9 Cl N2 O6,C49 H9 Cl N2 O6,756.0145,11.931969,0.140954056,0.055938917,0.328158001,0.095988756,0.239760272,0.24481833,0.127173742,0.112864757,0.082161501,0.149493202,0.121761393,0.074866457,0.184080404,0.066949405
8998,C41 H56 O7,Neurosporaxanthin ?-D-glucopyranoside Esi+14.037036,659.3898,14.037036,0.193151144,0.136178316,0.592107957,0.04609881,0.470766666,0.102172962,0.437387753,0.184953339,-0.093494533,0.517136765,0.028899186,0.428410156,-0.108237535,0.373984297
8999,C32 H45 N3 O4 S,Nelfinavir,566.3053,11.310019,2.177921938,2.13975646,2.352784873,2.207564921,2.317093043,2.126122965,2.318584475,2.20089628,2.086132043,2.337808003,2.156778262,2.241442026,2.202448781,2.199895326
9000,C16 H26 O8,Nepetaside Esi+8.227021,368.1431,8.227021,0.168882494,0.245718248,0.172887407,0.424805127,0.061229711,0.188171908,0.133721781,-0.091948135,-0.136790908,-0.038451495,-0.202649109,0.05607873,-0.12726901,-0.069175466
9001,C26 H46 N4 O16,C26 H46 N4 O16,670.2918,14.544979,0.822303536,0.966035386,0.373387062,0.751011486,0.678459261,0.649231105,0.734565247,-0.298338936,-0.413804292,-0.160590791,-0.296661249,-0.293472561,-0.287720466,-0.305185054
9002,C29 H52 N16 O2 P,C29 H52 N16 O2 P Esi+14.299018,687.4194,14.299018,0.671379897,0.908934143,0.192095981,0.589017062,0.573918343,0.562994304,0.566971396,-0.396920166,-0.662982909,-0.079511981,-0.355826714,-0.454377761,-0.401948082,-0.393678482
9003,C22 H32 O5,"11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid Esi+10.540018",398.2049,10.540018,0.774299662,0.746886048,0.956658237,0.809204023,0.737470863,0.817796478,0.787963543,-0.984433607,-0.915890323,-1.066204543,-1.083028822,-0.826416339,-1.094389006,-0.913541311
9004,<none>,<none> Esi+10.13101 :1,494.823,10.13101,0.780208872,0.884538354,0.628162993,0.708386335,0.790647975,0.790376518,0.772927106,0.338412874,0.426089846,0.233815784,0.325627284,0.343115231,0.389147221,0.305702571
9005,C37 H72 N O10 P,PS(15:0/16:0),721.496,13.522967,0.841437771,0.813346643,0.656873843,0.645696769,0.92821443,0.733239794,0.794096683,-0.390878842,-0.442836902,-0.328893789,-0.288631847,-0.526392078,-0.361684692,-0.409701387
9006,C23 H37 N8 O3,C23 H37 N8 O3,471.3335,11.579008,1.204299096,1.122442826,1.102781348,1.106979389,1.156162701,0.954940653,1.191788459,-1.364755742,-1.37053829,-1.357857264,-1.277427441,-1.502657145,-1.240238464,-1.445036619
9007,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.87098",419.3507,9.87098,0.735909276,0.867955029,0.403786576,0.868220013,0.524585918,0.781674704,0.668405968,-0.363087294,-0.455769958,-0.252518501,-0.405584738,-0.316151919,-0.385943713,-0.348350918
9008,C26 H51 N O7 P,"LysoPC(18:2(9Z,12Z)) Esi+8.777988 :1",537.3608,8.777988,0.885676573,0.85825856,0.955587118,1.072864266,0.621702154,0.874350933,0.856314519,-0.517087511,-0.433333103,-0.61700505,-0.574292598,-0.452834324,-0.426412337,-0.575549136
9009,C14 H28 N4 O5,Lys Ser Val,331.1986,9.323982,0.576577973,0.772084133,0.281444369,0.706126312,0.436965412,0.497570097,0.600094492,-0.552364273,-0.656405189,-0.428245286,-0.652310457,-0.410277044,-0.448704698,-0.619197421
9010,C48 H91 O12 P,PI(P-20:0/19:1(9Z)) Esi+14.49803,889.609,14.49803,0.125580154,0.102432567,0.065371303,0.192595994,0.006635869,0.165042058,0.090544926,0.1045671,0.107374567,0.101217842,0.165029268,0.023524909,0.15566947,0.07161952
9011,C29 H45 N O3,Ecalcidene Esi+14.93401,477.3247,14.93401,1.513057217,1.53011778,1.308500033,1.467191974,1.480450997,1.421306406,1.492589162,-1.361697992,-1.50142474,-1.195006434,-1.313760896,-1.418851773,-1.365100514,-1.359504261
9012,C10 H18 O2,6-Decanolide,170.1313,7.5050044,0.826839322,0.879720188,0.84845443,0.7282628,0.991404239,0.635313551,1.038689849,0.388757316,0.413889818,0.358774681,0.383781572,0.403962946,0.310464151,0.439235803
9013,C27 H37 F O6,? Methasone valerate Esi+7.3520174,476.259,7.3520174,0.046699056,0.40652232,0.44124114,0.033540754,0.184106587,0.384991882,0.25980964,-0.091076147,0.231262332,-0.475620297,-0.021915981,-0.214154577,0.240013098,-0.304541581
9014,C25 H30 O7,Lonchocarpol B Esi+11.878988,442.2023,11.878988,0.585471287,0.426912435,0.848292017,0.807427174,0.311025388,0.611057941,0.605864451,0.429652096,0.350980902,0.52350545,0.549756251,0.251674919,0.39479242,0.452127412
9015,C22 H4 O19 P,C22 H4 O19 P,602.9097,13.762959,1.778443015,1.883981433,1.829316456,1.810855403,1.915590493,1.878883031,1.813981189,1.356335617,1.432064067,1.265992904,1.386922214,1.294556308,1.447332107,1.297666828
9016,C37 H75 N2 O7 P,PE-Cer(d15:1(4E)/20:0(2OH)) Esi+16.294977,707.5528,16.294977,0.074055097,0.015757185,0.237414571,0.079566073,0.110561355,0.074898133,0.212562141,-0.03139347,-0.04357183,-0.0168649,-0.049338058,-0.004702879,0.022132831,-0.065903848
9017,C9 H4 Cl8 O,Isobenzan Esi+11.232983 :1,406.7711,11.232983,1.438258163,1.569458864,1.330138957,1.435289188,1.423300689,1.54670061,1.420282097,0.73258241,0.839120911,0.605483848,0.750523335,0.681219862,0.806681833,0.684807783
9018,C33 H59 N8 O5,C33 H59 N8 O5,646.4358,13.979984,1.175498899,1.183746946,1.074750252,1.289791759,0.966502883,1.22833131,1.063338041,-1.147568445,-1.370344539,-0.881800474,-1.181192984,-1.122170401,-1.297018903,-1.051212229
9019,C35 H58 O7,Melilotoside A Esi+14.16204,590.4132,14.16204,0.465700213,0.660368279,0.007190006,0.672760111,0.134770868,0.522436518,0.356623879,-0.246528087,-0.402086148,-0.060950049,-0.340715929,-0.125657852,-0.279728033,-0.225122859
9020,C35 H40 N4 O3,Bonafousine Esi+7.5310054,564.3112,7.5310054,0.359716563,0.113279912,0.825994996,0.03192072,0.790442721,0.208500377,0.604560648,-0.333074548,0.026713281,-0.762295117,-0.089720524,-0.693648567,0.067559904,-0.591378341
9021,C23 H47 N14 P,C23 H47 N14 P,550.3861,16.280025,0.316699866,0.21532359,0.472202359,0.189277755,0.425408551,0.609565369,0.159790987,0.219309582,0.170432216,0.277619423,0.173905746,0.228056632,0.339076495,0.142091442
9022,C22 H51 N4 O3 P,C22 H51 N4 O3 P,449.3706,15.173025,1.989146175,2.257129276,1.844316547,2.097501899,2.155257551,2.12120904,2.102749427,-1.406657987,-1.645540869,-1.121674898,-1.374994084,-1.436278977,-1.27597831,-1.490911988
9023,C45 H76 N O7 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",773.5264,15.061018,1.334613482,1.304005807,1.10176007,1.437964504,1.079516374,1.398059317,1.16997658,-0.953875347,-0.97723558,-0.926006998,-0.98134225,-0.924890022,-1.051211965,-0.891118843
9024,C28 H49 N O7 P,"1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-sn-glycero-3-phosphocholine Esi+10.123021",519.3363,10.123021,0.474220577,0.637148531,0.193157163,0.303011255,0.527365594,0.331441365,0.477084235,0.654845272,0.848098569,0.424297479,0.62937196,0.69160227,0.657219615,0.653314445
9025,C32 H48 O5,Ganoderic acid X Esi+8.416014,529.3818,8.416014,0.792994067,0.755864642,0.844676575,0.895577744,0.626062935,0.816709193,0.664192674,-0.491660344,-0.40859708,-0.590753361,-0.525164202,-0.455192583,-0.449198529,-0.51903704
9026,C15 H22 N O,C15 H22 N O,232.1688,7.71499,0.397773184,0.091604405,0.714320542,0.204562642,0.4774862,0.31230333,0.402290852,0.308723484,0.146776042,0.501923941,0.279601005,0.331745302,0.318920736,0.30214894
9027,C20 H36 N11,C20 H36 N11,430.3143,11.126975,0.571268872,0.727690405,0.145498704,0.608202401,0.415057512,0.511416898,0.530028014,-0.269282966,-0.41658158,-0.093558303,-0.283955359,-0.266856591,-0.267820355,-0.270225965
9028,C24 H40 O8,C24 H40 O8 Esi+10.982002,456.2719,10.982002,1.085612365,1.123012021,1.077464039,1.053217941,1.077557369,1.029583648,1.189179825,1.035796565,1.097079278,0.962687363,1.102134477,0.922291436,1.048817702,1.027401358
9029,C18 H28 O5,Cibaric acid Esi+12.183018,324.1925,12.183018,0.618721455,0.451394359,0.615231395,0.146850467,1.052277872,0.431990974,0.694817844,-0.204316319,-0.149403982,-0.269825773,-0.036382686,-0.417387072,-0.117256721,-0.260446849
9030,C40 H50,Anhydroeschscholtzxanthin Esi+8.430022,530.3841,8.430022,0.758187105,0.768120463,0.80690511,0.915020349,0.523535751,0.833793718,0.6557157,-0.734022592,-0.58764399,-0.908649697,-0.892224602,-0.528894892,-0.73398281,-0.734048242
9031,<none>,<none> Esi+8.713004 :1,473.7999,8.713004,0.123455228,0.298330765,0.120080077,0.036223587,0.235934035,0.223011043,0.058524466,0.030466415,0.15437578,-0.117355284,-0.016286734,0.078923114,0.09852874,-0.013415874
9032,C17 H34 N O4,O-decanoyl-R-carnitine Esi+8.618016,315.2407,8.618016,0.377420035,0.400491972,0.239619918,0.18971615,0.574813236,0.190844722,0.469096799,0.251202562,0.357304355,0.124624984,0.147124427,0.396871683,0.171055878,0.302876082
9033,C17 H15 N3,Yellow OB,261.124,0.8780018,0.161987654,0.46687237,0.297426752,0.196900248,0.02660669,0.342596132,0.033454377,-0.079959593,-0.188832189,0.049923504,-0.104129019,-0.055053825,-0.128479054,-0.048677309
9034,C26 H47 N8 O3 P,C26 H47 N8 O3 P,550.35,14.450987,0.485281956,0.486692297,0.364993108,0.306982251,0.675525652,0.276459696,0.526593925,-0.236717803,-0.267965997,-0.199439257,-0.14554396,-0.361478849,-0.176508257,-0.275537116
9035,C16 H26 O7,"(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside Esi+6.261996",330.1653,6.261996,0.369287804,0.192534557,0.61913398,0.373727965,0.248155772,0.327800731,0.315207555,-0.197760454,-0.046102347,-0.378685916,-0.180261101,-0.242359553,-0.151337213,-0.227691229
9036,C9 H20 N2 O2,Propamocarb Esi+7.987027,205.1826,7.987027,1.189484992,1.253740655,0.972702784,1.189335204,1.096054854,1.326660779,1.068071698,-0.650535454,-0.721830789,-0.56548137,-0.695099171,-0.592596799,-0.731354467,-0.598428459
9037,C32 H63 Cl3 N O2,C32 H63 Cl3 N O2,597.4091,12.833007,1.630852964,1.602308225,1.613838792,1.626790477,1.608113848,1.703556464,1.577600148,-2.401021341,-2.390781788,-2.413236949,-2.386599314,-2.436943828,-2.603554687,-2.270440632
9038,C45 H80 N O10 P,"PS(17:0/22:4(7Z,10Z,13Z,16Z)) Esi+12.594975 :1",824.5467,12.594975,0.95836336,0.932604487,1.07102437,0.943192674,0.924678257,1.095870972,0.934495997,0.574404608,0.594196349,0.550793409,0.606770426,0.500378193,0.704631231,0.490442706
9039,C16 H28 O2,Palmitolinoleic acid Esi+15.603023,252.2077,15.603023,1.244798333,1.259920454,1.05382296,1.218592734,1.081040441,1.263018805,1.107318814,-0.777854127,-0.884525042,-0.650597596,-0.821023727,-0.725965775,-0.81374323,-0.7547151
9040,C29 H48 O7,"3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid Esi+14.711971",508.3371,14.711971,0.68543077,0.478385438,0.939760387,0.587929871,0.754549198,0.745769011,0.619407056,0.501681079,0.402947572,0.61946842,0.472839423,0.541732481,0.549183914,0.471054251
9041,C32 H60 O5,DG(13:0/16:1(9Z)/0:0)[iso2] Esi+15.406986,524.4417,15.406986,1.322539225,1.412592084,1.15373101,1.360443278,1.188646501,1.371703259,1.239905061,-1.246026422,-1.429854713,-1.026722497,-1.248222883,-1.252082056,-1.288594867,-1.218580977
9042,C38 H73 O9 P,PG(P-16:0/16:1(9Z)),703.4873,14.756029,0.786061444,0.680936326,0.819862122,0.842326096,0.547443016,0.701892362,0.75390776,-0.607109289,-0.59393016,-0.622831758,-0.673303432,-0.513643959,-0.575976674,-0.627181632
9043,C43 H83 O13 P,PI(12:0/22:0) Esi+14.284974,838.5622,14.284974,0.845487132,0.748972152,0.956461977,0.916064191,0.759529546,1.018559847,0.744691832,0.577089128,0.529430318,0.633945252,0.620178299,0.500122246,0.666387745,0.519515019
9044,C19 H35 O2 P S,C19 H35 O2 P S,358.1978,8.942003,0.151105607,0.091866459,0.249651753,0.045203866,0.348425048,0.172059026,0.20682781,-0.093876952,-0.016073174,-0.186695495,0.021605446,-0.248190646,-0.050749706,-0.121682677
9045,C37 H75 N2 O7 P,PE-Cer(d15:1(4E)/20:0(2OH)) Esi+12.981992,689.517,12.981992,0.087801162,0.028256582,0.051529298,0.116607761,0.080382031,0.131214999,0.098598285,-0.009576743,-0.004075967,-0.016139071,-0.011473486,-0.027191054,0.088685301,-0.072929902
9046,C22 H36 N4 O,C22 H36 N4 O,372.288,8.17898,0.32790246,0.609243244,0.037579843,0.501272479,0.001212265,0.925153548,0.046514617,-0.269170647,-0.377009263,-0.14052107,-0.413408498,-0.052519831,-0.46308862,-0.144144585
9047,C34 H56 N6 O3,C34 H56 N6 O3,590.4533,15.125,1.261340452,1.368421296,1.047934217,1.238727751,1.210257302,1.206366977,1.227099662,-0.971497827,-1.189126651,-0.711870457,-0.90463986,-1.067990428,-0.963028607,-0.976958245
9048,C45 H74 N20 O3 P,C45 H74 N20 O3 P,973.6004,14.190982,0.579206878,0.730430146,0.252406659,0.618322613,0.450204134,0.480447853,0.628673975,-0.253750586,-0.381327491,-0.101553577,-0.236562162,-0.280319811,-0.19985463,-0.288499295
9049,C16 H41 N14 O,C16 H41 N14 O,443.3584,12.420977,0.940902304,0.94996367,0.831460233,0.847731166,1.022202453,0.766649907,0.993989538,-0.584029567,-0.709630878,-0.434189407,-0.546788527,-0.645580552,-0.684241153,-0.519419466
9050,C35 H8 O15 P,C35 H8 O15 P Esi+12.5649605,698.9595,12.5649605,1.601863643,1.670212758,1.587786876,1.730356392,1.52908713,1.701714458,1.591300928,1.17746097,1.226164972,1.119357949,1.238505905,1.070607249,1.269597756,1.11805699
9051,C29 H36 N2 O4,Ipecac (Emetamine),493.2939,6.7239995,0.408997453,0.731635499,0.098888139,0.455988179,0.174748713,0.685856531,0.166485518,0.139295706,0.318933578,-0.075009125,0.200081136,0.033055066,0.316373062,0.02512741
9052,C21 H34 O8,C21 H34 O8,414.2186,9.541014,1.141635395,0.980913779,1.200000468,1.22990947,0.978641653,1.051555711,1.061798767,0.919095632,0.855323056,0.995175197,1.047484665,0.752056729,0.896326337,0.933775835
9053,C15 H32 O6,"1,2,3-Tris(1-ethoxyethoxy)propane Esi+6.723015",308.2184,6.723015,1.291694714,1.349662528,1.227637482,1.331078422,1.278165723,1.323190607,1.16291136,-0.247696847,-0.23731587,-0.260081171,-0.235710471,-0.269181236,-0.21379962,-0.269551638
9054,C13 H18 O5,"Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate Esi+7.1569896",276.0971,7.1569896,0.042378587,0.021482334,0.143809376,0.146619337,0.028588404,0.013489462,0.132689914,0.086924967,0.02038528,0.166305647,0.112321548,0.028050755,0.053420376,0.108526611
9055,C7 H16 O4,Poloxalene Esi+3.3259926,164.1048,3.3259926,0.47819244,0.579297226,0.273798074,0.594695377,0.237480136,0.641414857,0.324981953,0.166722428,0.227254786,0.094508387,0.22343245,0.077600968,0.272161545,0.098741945
9056,C36 H70 N O10 P,PS(18:0/12:0),706.469,16.065977,0.451056841,0.561565845,0.061091965,0.380396486,0.34881933,0.427210111,0.329798329,-0.241859732,-0.411155745,-0.03989256,-0.215229157,-0.256349648,-0.314637771,-0.19493705
9057,C21 H45 O6 P,PA(O-18:0/0:0) Esi+10.982002,446.2722,10.982002,0.804123994,1.136793018,0.242507248,0.902036055,0.685503924,0.912740423,0.680895421,-0.431668913,-0.647439497,-0.174258392,-0.459595274,-0.411461722,-0.532201432,-0.366851895
9058,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.952948,466.3652,14.952948,1.729872262,1.921314016,1.494045459,1.848041725,1.629023882,1.83711895,1.690226304,-1.622901232,-1.978632502,-1.198520067,-1.609095016,-1.656557881,-1.602729786,-1.635906506
9059,C25 H26 N4 O4,CAY10625,468.1801,9.417992,0.307136397,0.282101624,0.280682836,0.230410554,0.362327996,0.063901986,0.409191769,-0.172242036,-0.190948481,-0.149925574,-0.09705287,-0.298726953,-0.028159545,-0.265137326
9060,C39 H75 O10 P,PG(16:0/17:1(9Z)) Esi+15.399974,734.5139,15.399974,0.903300885,0.981412058,0.809262509,1.069864058,0.718470701,1.044967442,0.858352706,0.533003331,0.56577655,0.493905455,0.584422013,0.446898504,0.583701217,0.500316535
9061,C35 H73 N4 S4,C35 H73 N4 S4,677.4684,13.552982,0.874256976,0.876013009,0.612960789,0.660278977,0.868005447,0.760070986,0.792176744,-0.364402089,-0.479021664,-0.227662946,-0.290841145,-0.451010978,-0.380326547,-0.354135004
9062,C39 H67 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0) Esi+13.615981",726.4458,13.615981,0.95051447,0.740110636,1.037377421,0.807061835,0.972943412,0.771228132,0.903897758,0.45231784,0.415861447,0.495809677,0.4594617,0.454701432,0.457674126,0.448864445
9063,C51 H88 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) Esi+9.135988",895.6067,9.135988,0.155563808,0.090929665,0.226459618,0.244172713,0.024233745,0.120460353,0.114514314,-0.271409987,-0.206930071,-0.348333395,-0.345730692,-0.193946856,-0.231662331,-0.297036765
9064,C12 H24 N12,C12 H24 N12,336.2261,11.110015,0.229807484,0.001518122,0.441039101,0.108281879,0.231188409,0.078770633,0.313248094,-0.128594393,0.019261524,-0.304983907,-0.06334114,-0.190682004,-0.06355625,-0.170526879
9065,C25 H40 O8,3-alpha-androstanediol glucuronide Esi+11.672988,468.2702,11.672988,1.529206234,1.285016301,1.94596431,1.45837173,1.777294257,1.339836828,1.71213893,1.331774841,1.060149526,1.655819076,1.271349201,1.459084363,1.149798241,1.449101859
9066,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+11.583007",342.2034,11.583007,1.100939977,0.983917442,1.116343299,0.955171971,1.080249646,0.876319124,1.163315145,1.110293008,1.034822218,1.200328336,0.988688219,1.249042571,0.932410186,1.224980617
9067,C7 H16 O3,C7 H16 O3 Esi+4.555 :2,148.1099,4.555,0.709810215,0.755098714,0.473174339,0.799522273,0.637722814,0.813158913,0.619735128,-0.266371157,-0.372683692,-0.139542169,-0.283911469,-0.247727097,-0.334380504,-0.222523026
9068,C16 H28 N6 O4,Pro Arg Pro Esi+8.984988,368.2154,8.984988,0.74931018,0.718951204,0.714851719,0.730150077,0.738702143,0.957148276,0.56713561,0.680516081,0.667302575,0.696279562,0.701575208,0.629371079,0.766399576,0.625143827
9069,C40 H48 O4,"7,8,7',8'-Tetradehydroastaxanthin Esi+14.135009",592.358,14.135009,1.699894135,1.605901705,1.78852636,1.762187153,1.667706902,1.744463713,1.700619816,1.315897385,1.22772048,1.421090884,1.319603814,1.294473808,1.21456539,1.381229855
9070,C8 H8 O2,m-Methylbenzoate,136.0524,6.9849877,0.446041053,0.545048995,0.294255181,0.578007719,0.31461271,0.184919961,0.583872643,-0.298158548,-0.352527947,-0.233296809,-0.318557839,-0.292005707,-0.106676929,-0.421613803
9071,C13 H28 N2,C13 H28 N2,212.2249,7.9649935,0.201643189,0.282218783,0.067821521,0.36178784,0.013048972,0.560774145,0.092132175,-0.238753591,-0.31080596,-0.152796378,-0.33640751,-0.095231847,-0.508960636,-0.064541153
9072,C25 H42 N10 O,C25 H42 N10 O,498.3542,14.5,0.413270387,0.272878826,0.46227716,0.428362747,0.304959234,0.345151311,0.424227601,0.275237277,0.233131831,0.325468335,0.299118447,0.233555103,0.265735378,0.281363501
9073,C42 H63 O4 P,C42 H63 O4 P,662.4654,14.221978,0.926895897,0.94047395,0.775896932,1.039337919,0.801322052,0.969587333,0.855434607,-0.548016092,-0.637450969,-0.441321854,-0.540744969,-0.56202569,-0.534015587,-0.557042734
9074,C27 H4 N O11 P S5,C27 H4 N O11 P S5,708.8134,13.093013,0.418746558,0.574046166,0.078408415,0.511044635,0.087633853,0.350924724,0.350452194,-0.364370127,-0.558815299,-0.132400449,-0.474735544,-0.247130887,-0.370153815,-0.360641171
9075,C29 H48 O5,"(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one Esi+14.705023",476.3478,14.705023,0.955911517,0.955412469,0.785720155,1.024469218,0.77186792,0.682760652,1.008425379,-0.574760985,-0.662168509,-0.470485343,-0.563530362,-0.572260466,-0.4065993,-0.683181019
9076,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.461987,311.1519,11.461987,0.080452413,0.108095502,0.057697187,0.105321899,0.033127065,0.08441896,0.005485745,0.006123879,-0.063130918,0.088743635,0.107898214,-0.14520298,0.038171892,-0.014538657
9077,C17 H32 N7 O,C17 H32 N7 O Esi+10.417987,350.2654,10.417987,0.507242322,0.443394507,0.500066493,0.318884182,0.689668569,0.486165226,0.492698618,-0.461850067,-0.389676153,-0.54795228,-0.33861808,-0.653690409,-0.419741497,-0.488999014
9078,C39 H56 Cl P,C39 H56 Cl P,590.3861,14.443036,1.165399435,1.018978061,1.230143124,1.176370817,1.073317331,1.106519414,1.157745702,1.10809242,1.012084601,1.222628064,1.095162562,1.115402703,1.107417573,1.108527519
9079,C19 H35 N O4,CAY10580 Esi+9.685033 :4,341.2562,9.685033,0.603181573,0.573958878,0.65528953,0.639318731,0.646530292,0.66868214,0.633675488,0.485921681,0.521619092,0.443335295,0.512874042,0.439564161,0.522118362,0.462584347
9080,C35 H76 N26 O3 P,C35 H76 N26 O3 P,939.6328,9.156988,0.318839081,0.286196942,0.391777079,0.503080042,0.063590655,0.328468443,0.272023812,-0.26245409,-0.204661425,-0.331399724,-0.345131806,-0.17156946,-0.233939276,-0.28083864
9081,C43 H68 O14,Calenduloside G methyl ester Esi+15.646976,825.4928,15.646976,1.113626391,1.130719178,1.337429527,1.154932873,1.245122468,1.011525678,1.283162517,0.355304961,0.341327244,0.371980132,0.34116166,0.366535087,0.320803905,0.377549063
9082,C39 H11 N12 O10 P,C39 H11 N12 O10 P,838.0464,12.6120405,1.265495614,1.161305327,1.39828555,1.295817416,1.221526357,1.262806098,1.295924099,0.772004925,0.769362888,0.775156829,0.788340588,0.725285232,0.805092753,0.750671983
9083,C18 H6 N3 O8 S5,C18 H6 N3 O8 S5,551.8756,13.555978,1.798978529,1.879013815,1.901315523,1.834818212,1.929840011,1.898592424,1.909293162,0.951371528,1.001505966,0.891562024,0.959647554,0.924427082,0.982846462,0.931078478
9084,C17 H22 O2,"(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol",258.1661,9.073982,1.213132058,1.168799761,1.250717069,1.009031195,1.437086824,1.365294419,1.121714618,0.702911254,0.692434498,0.715409841,0.620506422,0.806470608,0.773082626,0.657669185
9085,C10 H18 N5 O20 P5,Guanosine 3'-diphosphate 5'-triphosphate Esi+13.677982,682.9196,13.677982,0.862822702,1.121549092,0.273821383,0.787206022,0.808145986,0.966292756,0.73721951,-0.367718098,-0.538546927,-0.163922302,-0.359511219,-0.36716286,-0.452755256,-0.31289151
9086,C23 H36 N2 O,C23 H36 N2 O Esi+12.513982 :1,356.2755,12.513982,0.798827145,1.128817475,0.277722197,0.8177189,0.705387445,1.05995203,0.561027814,-0.280571963,-0.460949567,-0.065384647,-0.277164571,-0.265953877,-0.400828525,-0.203038127
9087,C14 H42 N13 O2,C14 H42 N13 O2,424.3582,14.032974,0.81509358,0.916536147,0.465674107,0.787196736,0.661209277,0.859829303,0.657279601,-0.358335642,-0.495501875,-0.194698733,-0.346824281,-0.378443921,-0.404450697,-0.328603567
9088,C36 H54 O12,Medicagenic acid 3-O-b-D-glucuronide Esi+12.839027,678.3519,12.839027,0.099085217,0.270273583,0.153397013,0.111664078,0.265552254,0.060328816,0.10173764,0.00991387,-0.20215474,0.262908,0.180521981,-0.257999194,0.080396453,-0.035528849
9089,C20 H26 N6 O6,Trp Gln Asn Esi+9.871991,446.192,9.871991,0.942568123,0.917827867,0.828276139,0.835158669,0.979910332,0.655953029,1.000793362,-0.553470995,-0.621353474,-0.472488389,-0.457282919,-0.697520221,-0.44643943,-0.622478189
9090,C26 H58 Cl N6 O5 S,C26 H58 Cl N6 O5 S,601.3873,14.246025,0.088719201,0.074502147,0.290940136,0.152897021,0.02004413,0.047001778,0.123289431,0.109496254,-0.004334828,0.245294736,0.135334519,0.061265149,0.053693436,0.145474386
9091,C28 H48 O4,6-Deoxodolichosterone Esi+16.260008,448.3527,16.260008,0.78016309,0.838470308,0.565082184,0.66664839,0.803979281,0.716280641,0.704478974,0.198137438,0.23786651,0.150741353,0.180973704,0.216694965,0.206922035,0.192473685
9092,C38 H59 N5 O5 S,Progesterone 3-biotin,696.4142,12.474,1.684096105,1.574049784,1.663457295,1.705095009,1.592638532,1.730398966,1.601508613,-2.398898095,-2.247520928,-2.5794884,-2.27487631,-2.546738289,-2.545355589,-2.304471553
9093,C38 H56 N S2,C38 H56 N S2 Esi+11.3610115,590.3859,11.3610115,1.698023142,1.595754217,1.763467426,1.785712499,1.59259806,1.635418829,1.715857209,1.442333619,1.416515355,1.473134354,1.459742735,1.386286098,1.425276614,1.453330899
9094,C37 H67 O8 P,"PA(16:0/18:3(9Z,12Z,15Z)) Esi+13.521978",669.4536,13.521978,1.401762712,1.421719615,1.304690846,1.42876133,1.262215288,1.293276377,1.457625257,0.893919132,0.95832441,0.817084766,0.901343916,0.86831608,0.884141232,0.900223305
9095,C26 H34 O7,Hydroxystrobilurin D Esi+13.351013,480.214,13.351013,1.799585643,1.506614105,1.965697052,1.731502072,1.80933026,1.69655905,1.791149872,1.443989725,1.253735095,1.670960162,1.364460675,1.570513259,1.331558732,1.516478129
9096,C19 H29 N O,Cycrimine Esi+9.678982,304.2516,9.678982,1.326540953,1.337639003,1.278633777,1.27803681,1.424027259,1.236386078,1.380093835,-1.263728217,-1.397244568,-1.104445552,-1.336764762,-1.19443982,-1.302833538,-1.238515575
9097,C28 H55 N O7 P,"PC(20:2(11Z,14Z)/0:0) Esi+11.400002",570.3488,11.400002,0.713422373,0.831586004,0.573506091,0.731046526,0.670488549,0.580810625,0.78781848,0.65611368,0.77870563,0.509863633,0.642669252,0.633235015,0.553773927,0.722095889
9098,C16 H30 O8,"(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside Esi+5.9549904",350.1846,5.9549904,1.366600722,1.320221171,1.433368718,1.330764276,1.511739294,1.42888781,1.289881556,1.021946381,0.877118419,1.194723599,0.825684979,1.295753267,0.893325091,1.104873266
9099,C12 H20 O3,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate Esi+8.284025",212.141,8.284025,0.521438452,0.674265174,0.312234888,0.578868169,0.437332681,0.99038868,0.301647623,-0.415643692,-0.536696743,-0.271229526,-0.508885284,-0.283446557,-0.708107939,-0.227081217
9100,C22 H41 N O7,Sphingofungin D Esi+10.13999,448.3187,10.13999,1.074295288,1.087761773,0.978368461,1.278094804,0.703670369,1.035597933,0.94342631,-0.599922892,-0.57873392,-0.625200964,-0.590438199,-0.600584672,-0.515817888,-0.654148487
9101,<none>,<none> Esi+12.608965 :1,562.7208,12.608965,0.224817651,0.063148665,0.543735291,0.24525994,0.267573453,0.070703238,0.429756362,0.16874663,0.123180364,0.223106387,0.19472645,0.11618984,0.131095582,0.193021648
9102,C28 H38 N4 O,Carpipramine,446.3063,15.75804,2.184280449,2.216039959,2.274387191,2.16910803,2.374690547,2.192710387,2.261869053,-1.388000997,-1.571742887,-1.168800145,-1.30453625,-1.520684497,-1.340901866,-1.418367541
9103,C16 H2 O16 P S5,C16 H2 O16 P S5 Esi+12.683029,640.7692,12.683029,0.061038868,0.009844734,0.22730278,0.087168117,0.147027447,0.173744308,0.056794879,0.087161763,0.056841617,0.123333166,0.100434638,0.051565595,0.1223818,0.064454108
9104,C18 H33 N O4,10-nitro-9E-octadecenoic acid Esi+8.791993,327.2406,8.791993,0.14929991,0.202696357,0.030913544,0.171324544,0.293821297,0.07100364,0.240065308,0.14716303,0.200783636,0.083194587,0.154203663,0.165979802,0.111384014,0.170231079
9105,C21 H49 Cl N5 O2 S,C21 H49 Cl N5 O2 S,470.3248,14.333007,0.380032731,0.444240781,0.284198378,0.257994308,0.518812136,0.338068075,0.368050643,-0.084759993,-0.129046441,-0.031927038,-0.017875555,-0.197957477,-0.073305755,-0.092144963
9106,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+6.7130103 :2,238.1198,6.7130103,0.208662625,0.180488802,0.358443541,0.293597332,0.20219414,0.246988761,0.253155273,0.088206083,0.036145126,0.150313891,0.097050625,0.078101634,0.063937912,0.103852666
9107,C38 H45 Cl N8 O15 P S,C38 H45 Cl N8 O15 P S,951.2154,8.18799,0.236126566,0.194672614,0.46566931,0.310748452,0.261112337,0.146540176,0.348232022,0.010525705,-0.014000473,0.039785005,-0.010849092,0.059935227,0.005035284,0.014065582
9108,C35 H44 O16,3-Acetyl-1-tigloylazadirachtinin,720.2645,6.301014,2.087109303,1.989899754,2.081886189,2.003642626,2.173922543,2.007158474,2.112455139,2.074145532,2.217993904,1.902536948,1.931373526,2.260922799,2.10982082,2.051144359
9109,C22 H45 N O,Docosanamide Esi+11.092022,339.3496,11.092022,0.203222202,0.414624051,0.118175359,0.176743785,0.160797925,0.174068492,0.222264071,-0.050057071,-0.144068918,0.062097412,-0.028036027,-0.08068797,-0.003619537,-0.079997061
9110,C53 H72 N2 O12,Atracurium,950.4988,8.189975,0.369911248,0.256094232,0.733020394,0.472742514,0.356250215,0.274527103,0.463930407,-0.098282639,-0.040657423,-0.167028512,-0.152576151,-0.014717742,-0.074703683,-0.113484861
9111,C25 H47 N11 O4 P,C25 H47 N11 O4 P,596.354,12.850024,2.606779123,2.484963441,2.710540526,2.666148265,2.593307348,2.521650484,2.642698783,3.813243522,3.623387823,4.039738042,3.787602341,3.83547015,3.665446896,3.908533453
9112,C12 H14 O4,"2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one Esi+10.058009",222.0884,10.058009,0.880223617,1.209862246,0.365162037,0.878386812,0.891504545,1.166919984,0.674590612,-0.279039772,-0.378253465,-0.160679576,-0.261712685,-0.283928668,-0.347026151,-0.235206448
9113,C17 H35 N,(-)-Solenopsin A Esi+11.031005,275.2607,11.031005,0.566677059,0.860646194,0.013430503,0.558867315,0.525539167,0.590717565,0.449117432,-0.129278413,-0.201024107,-0.043687058,-0.1129237,-0.146531268,-0.132669993,-0.127091736
9114,C36 H68 N O9 P,PS(P-16:0/14:1(9Z)),706.49,8.567006,0.44077504,0.449507108,0.40941462,0.597023366,0.24625509,0.305472233,0.414567197,-0.289293362,-0.265344372,-0.317864086,-0.355515907,-0.213292274,-0.185329496,-0.356322696
9115,C35 H66 O8,Donhexocin Esi+13.885988,613.4736,13.885988,0.542216932,0.704301436,0.251845039,0.553054711,0.47115008,0.374655277,0.585617425,-0.244913882,-0.386364738,-0.076165492,-0.244400654,-0.260239416,-0.16639599,-0.295537259
9116,C29 H34 N4,Ochrolifuanine A,455.3086,7.458007,0.365895038,0.000745487,0.827133103,0.282925157,0.382441445,0.493258055,0.259907527,0.243290021,0.060787042,0.461012873,0.224901048,0.231845116,0.33764442,0.182456264
9117,C17 H29 N O4,C17 H29 N O4 Esi+7.458991,311.2079,7.458991,0.303558393,0.255840989,0.411866289,0.515859268,0.02698414,0.381883437,0.227411871,-0.282038349,-0.13912323,-0.452533579,-0.394726135,-0.097935685,-0.297414009,-0.272125095
9118,<none>,<none> Esi+8.751981 :1,517.8265,8.751981,0.426277577,0.619213369,0.076275935,0.289171924,0.501871229,0.468158484,0.336897123,0.143972647,0.284044191,-0.023130247,0.096722727,0.188708181,0.215184593,0.098059683
9119,C28 H41 N3 O2,Teleocidin B-1 Esi+13.051021,473.3002,13.051021,1.735506426,1.767924326,1.712286672,1.913347649,1.56585192,1.826263044,1.710549842,1.086794543,1.191902696,0.96140236,1.162088238,0.964031155,1.114711199,1.068795647
9120,C53 H33 N6 O4 S4,C53 H33 N6 O4 S4,945.1451,13.364012,0.313848487,0.35703726,0.084833259,0.337627601,0.087310426,0.126910549,0.348763128,-0.060840619,-0.123134433,0.013474809,-0.05262814,-0.092616163,0.006360885,-0.104167904
9121,C22 H47 N O,C22 H47 N O Esi+11.366965,341.3651,11.366965,0.13506403,0.345841256,0.181016937,0.130057774,0.084859363,0.192894454,0.104017023,-0.022407992,-0.126795305,0.10212424,-0.00309086,-0.049674463,-0.010006151,-0.030403916
9122,C25 H51 N8 O P,C25 H51 N8 O P Esi+14.781005,510.4046,14.781005,1.162690709,1.266071244,0.875918753,1.126419051,1.035414362,1.197056689,1.064819716,-1.032500969,-1.299698263,-0.713739285,-1.071406185,-0.981367907,-1.068374405,-1.009372043
9123,C21 H36 O9,"Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate Esi+9.442009",449.2616,9.442009,1.461287265,1.350055327,1.436870928,1.459392931,1.381961455,1.31892768,1.506878543,1.570023566,1.503000485,1.649980925,1.546815194,1.61784275,1.442528134,1.652224568
9124,C35 H43 N O11,Rifamycin W-hemiacetal Esi+12.573981,653.2899,12.573981,1.93831396,1.904020947,1.696153288,1.877047924,1.759951622,1.778660128,1.885775862,-2.24018184,-2.319577671,-2.145464007,-2.221176678,-2.255556388,-2.167003176,-2.287362821
9125,C27 H47 N O,"(16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl)propylamine Esi+12.858966",401.3704,12.858966,0.12908456,0.240866195,0.057068887,0.031715392,0.105432875,0.240100774,0.033874731,0.023988085,-0.022281486,0.079186871,0.059467976,-0.01662272,-0.062368344,0.079665256
9126,C28 H59 N7 O4 P,C28 H59 N7 O4 P Esi+15.076968,586.4185,15.076968,0.881399979,0.964288118,0.651562618,0.947230383,0.707934245,0.902139581,0.767733255,-0.73463956,-0.929717034,-0.501915555,-0.763383244,-0.721129677,-0.858373947,-0.654863441
9127,C35 H54 O10,Pandaroside B Esi+14.707018,634.3691,14.707018,0.550055952,0.370716501,0.701546965,0.558835252,0.48622177,0.539113174,0.537178301,0.414018425,0.349409953,0.491095199,0.4627356,0.352000091,0.464256263,0.381628241
9128,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+15.788021",565.4684,15.788021,0.708599231,0.572878631,0.803114685,0.622823969,0.653758956,0.589714376,0.716467003,0.727476994,0.601084955,0.878260479,0.771028009,0.662376965,0.676640004,0.760253474
9129,C27 H32 O5,Kanzonol I,436.2234,13.985035,1.75129058,1.480014257,1.952399672,1.618374655,1.82532886,1.659561328,1.751742725,1.104589566,1.03892257,1.18292914,1.051344151,1.178676781,1.052501943,1.138172375
9130,C46 H76 N6 O14,C46 H76 N6 O14 Esi+14.200984,936.5425,14.200984,0.102984163,0.098958325,0.199359175,0.110726948,0.065227518,0.067133566,0.06037151,0.159086292,-0.054925808,0.414398973,0.200096195,0.116041796,0.120140129,0.184196319
9131,C23 H46 N O7 P,LysoPE(18:1(11Z)/0:0) Esi+12.830015,479.3021,12.830015,0.387105961,0.446484724,0.115861549,0.370903483,0.247310045,0.362351676,0.233721574,-0.20086805,-0.2784562,-0.108306748,-0.190552533,-0.197436931,-0.236554421,-0.177859731
9132,C22 H55 N23 O5,C22 H55 N23 O5,721.4742,12.5129595,1.784916183,1.712631209,1.653192784,1.783882647,1.60630479,1.719119561,1.720545061,1.37548214,1.410374466,1.333856207,1.442023134,1.260382308,1.467122082,1.316398493
9133,C20 H30,ar-Artemisene Esi+7.500984,270.2306,7.500984,1.017488606,0.979851554,1.006140861,1.096294445,0.957792869,1.051807355,0.965556631,-0.922767693,-1.062336199,-0.756264914,-1.034554418,-0.803210194,-1.061407356,-0.833381595
9134,C15 H32 O4,C15 H32 O4,276.2292,11.979003,1.095748628,0.990623057,1.085449698,1.063669935,1.004598011,0.837097249,1.173360777,0.292575217,0.272254559,0.316817405,0.311701327,0.273368224,0.247723037,0.32149307
9135,C27 H38 N2 O4,Verapamil Esi+7.633024,471.3036,7.633024,0.760026123,0.748303528,0.675709663,0.742165475,0.665387915,0.59541226,0.810005422,-0.634833077,-0.558242902,-0.726203813,-0.590930535,-0.704276595,-0.498276872,-0.722875894
9136,C17 H26 N6 O4,Pentosidine Esi+12.749019,378.2019,12.749019,0.892374128,0.919566209,0.797928497,0.735197964,0.893584723,1.015588701,0.744420035,0.893266316,0.907570478,0.876201701,0.891740595,0.869997808,1.04933015,0.792646212
9137,C33 H57 N O13,Fumonisin C4,674.3758,15.226023,2.020370592,2.002244098,2.109841481,2.235216289,1.900312771,2.269993916,1.921210165,1.89247175,1.970751533,1.799085343,1.970364404,1.770569755,2.011469765,1.815749345
9138,C34 H34 N4 O5,C-13(2)-Carboxypyropheophorbide a Esi+14.565973,577.2435,14.565973,1.475005529,1.624593164,1.178812105,1.57641428,1.304335668,1.589129432,1.361409314,-1.398868564,-1.536741169,-1.234388966,-1.485512015,-1.269873297,-1.594632049,-1.272652633
9139,C46 H89 O13 P,PI(15:0/22:0) Esi+12.496017,879.594,12.496017,0.419683547,0.398685143,0.273330358,0.363297613,0.321046527,0.238036102,0.451306019,-0.143743092,-0.162593548,-0.121254828,-0.088646041,-0.249275678,-0.060034815,-0.197712902
9140,C19 H33 N,C19 H33 N,275.2608,12.727031,1.548462175,1.492744816,1.454118113,1.394384743,1.607823044,1.530568555,1.557774592,-0.864299037,-0.940970397,-0.77283145,-0.85328683,-0.882947621,-0.882250156,-0.852725289
9141,C28 H26 O18,"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside Esi+12.761987",650.1128,12.761987,1.400010919,1.37643782,1.186747857,1.399391715,1.17323248,1.243910219,1.352339805,-1.152728477,-1.167046226,-1.135647654,-1.115724108,-1.189081484,-1.003623002,-1.24886227
9142,C49 H91 O12 P,"PI(P-20:0/20:2(11Z,14Z)) Esi+12.434015",901.6066,12.434015,0.209375617,0.256717352,0.110399676,0.196288305,0.15976632,0.004056869,0.300925826,-0.034140196,-0.070108712,0.008769612,-0.003350177,-0.102849546,0.066976952,-0.099334147
9143,C33 H69 Cl2 N4 O P S,C33 H69 Cl2 N4 O P S,670.4471,13.677001,0.901966397,1.040728232,0.672965128,0.732460878,0.955278355,0.903327569,0.868826406,1.030652616,1.229313116,0.793654126,0.979455399,1.070196179,1.197868107,0.922842629
9144,C15 H23 N7 O6,Asn Gln His,397.1716,14.298996,1.62776589,1.663804542,1.202710227,1.429238021,1.50121663,1.35355673,1.564032003,-1.244954729,-1.336756401,-1.135436946,-1.201122553,-1.304785872,-1.250495048,-1.241382682
9145,C8 H12,4-Vinylcyclohexene,108.0938,9.264008,0.481554106,0.302365049,0.76965694,0.212457406,0.956690908,0.337413581,0.650666972,0.364806906,0.146437679,0.625317563,0.190795295,0.627533747,0.194232194,0.474782708
9146,C19 H24 O8,Methyl helianthenoate A glucoside,380.1467,9.781989,2.102951379,1.880821621,2.336847712,2.040863242,2.261444132,2.006040617,2.204317089,3.09179244,2.809461585,3.428608197,2.848750278,3.410039223,2.919159736,3.203095105
9147,C47 H89 O12 P,PI(P-20:0/18:1(9Z)) Esi+14.702951,875.5947,14.702951,1.079088247,1.079341492,1.016975152,1.115350448,0.920450881,0.927731346,1.080123924,-0.830288181,-0.923148756,-0.719507145,-0.76956983,-0.909975626,-0.680766063,-0.9266906
9148,C31 H40 O4,4-O-alpha-Cadinylangolensin Esi+8.775993,476.2925,8.775993,0.018539669,0.333940454,0.269900506,0.264038399,0.026838117,0.328294529,0.079284676,-0.031571547,0.177817957,-0.281369552,0.117154994,-0.266595116,0.207761947,-0.185878668
9149,C37 H62 O13,Cyclopassifloside VII Esi+13.988023,736.3984,13.988023,0.765299016,0.430465598,1.334067572,0.775349327,0.86153641,0.817130887,0.809435307,0.44043058,0.299190202,0.608927873,0.45968382,0.408337626,0.419785809,0.453741024
9150,C13 H20 N4 O,C13 H20 N4 O Esi+7.548982,248.1617,7.548982,1.134883111,1.189837994,0.762991565,1.165133417,0.932984628,1.015476373,1.000259253,-0.756351973,-0.914597677,-0.567567624,-0.798981914,-0.708507854,-0.751003282,-0.759800471
9151,C16 H23 N5 O,Tegaserod Esi+3.7020102,301.1884,3.7020102,0.411753275,0.799178439,0.106608785,0.425422437,0.476160238,0.591752776,0.291433252,0.270646676,0.508485201,-0.013090511,0.246310342,0.325663367,0.342110603,0.224571249
9152,C21 H22 N8 O21 P S,C21 H22 N8 O21 P S,785.0355,12.31201,0.293964926,0.331397749,0.082825949,0.338185377,0.081652802,0.130035561,0.269850734,-0.070782051,-0.128802761,-0.001564362,-0.051394797,-0.122080423,0.012608047,-0.12454672
9153,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+9.547011",453.3801,9.547011,0.439445029,0.556231522,0.239751752,0.509486238,0.329146966,0.358324226,0.416411096,-0.16975033,-0.216130006,-0.114420189,-0.179537729,-0.1570678,-0.161997606,-0.174748796
9154,C15 H8 Cl8 O2,Butter acids Esi+12.227024,516.8275,12.227024,1.688136548,1.593679576,1.716743447,1.669795816,1.606518044,1.721956912,1.642019253,1.099012369,1.11127187,1.084386999,1.141059758,1.016125916,1.204135398,1.031235679
9155,C16 H30 N6 O4,Val Arg Pro Esi+10.374018,370.2351,10.374018,0.320300263,0.44333753,0.119561367,0.204283621,0.345024611,0.156584322,0.39979828,-0.10906957,-0.181286204,-0.022916393,-0.053911731,-0.18267638,-0.012784412,-0.171148159
9156,C40 H77 N O10,Araliacerebroside,753.533,14.333986,0.522812029,0.644903351,0.252521284,0.503902947,0.462434258,0.391596987,0.505296712,-0.27255749,-0.31547428,-0.221358512,-0.197146322,-0.397044506,-0.134296071,-0.36169972
9157,C15 H7 N5 O20 P,C15 H7 N5 O20 P Esi+14.158989 :1,607.9413,14.158989,0.48118085,0.648202018,0.081822916,0.63053191,0.218698319,0.503918064,0.371937154,-0.172169018,-0.273068212,-0.051798051,-0.187674205,-0.156638952,-0.172658041,-0.171853727
9158,C39 H63 N O14,Niddamycin,769.4301,14.656986,0.901976418,0.959165728,0.936678966,0.948281373,0.925174087,0.747917284,1.057500936,0.331195248,0.3486713,0.310346625,0.327596225,0.325961751,0.280255718,0.36403784
9159,C34 H57 N O5 P S,C34 H57 N O5 P S Esi+14.10896,622.3698,14.10896,0.09412874,0.227303123,0.212705388,0.04147597,0.096974747,0.074598014,0.12199638,0.056884719,-0.059506871,0.195737844,0.113372414,-0.038694622,0.136158084,0.00577426
9160,C13 H28 N2,C13 H28 N2 Esi+5.986,212.225,5.986,1.277470895,1.058443042,1.296418061,1.156332419,1.25672011,1.105739015,1.273280716,-0.941856887,-0.956611577,-0.9242548,-0.937877725,-0.963180346,-0.909704252,-0.962586875
9161,C16 H26 O8,Nepetaside Esi+7.852016,346.1606,7.852016,0.995962525,0.964441367,1.099355314,0.95525943,1.197118403,0.68397878,1.119835713,-1.855427339,-1.815310503,-1.90328602,-1.517250915,-2.358166674,-1.682508866,-1.966914248
9162,C26 H53 O8 P,PG(P-20:0/0:0),524.3414,14.595964,0.003011754,0.263827713,0.444628417,0.048679633,0.050240952,0.132950435,0.016356341,0.116834256,-0.015282876,0.274447676,0.148803383,0.080908657,0.179737522,0.076278202
9163,C20 H41 N13 O P,C20 H41 N13 O P Esi+14.415025,510.327,14.415025,0.116839959,0.275713932,0.225371052,0.052643782,0.10827792,0.042651934,0.116201042,0.035505205,-0.072369325,0.164197626,0.059338722,-0.007473448,0.063005,0.017775074
9164,C40 H58 O11,Avermectin B1b monosaccharide Esi+14.697999,736.3798,14.697999,1.376370207,1.324407233,1.43590592,1.378089778,1.385519394,1.375169816,1.36484252,0.708293992,0.686686661,0.734071159,0.68555939,0.73100823,0.717496929,0.702360519
9165,C12 H20 N6 O4,C12 H20 N6 O4 Esi+7.2139926,312.155,7.2139926,2.58488293,2.571407364,2.681194803,2.614074795,2.73288105,2.53256203,2.716193642,2.012909715,1.943106524,2.096183697,1.904451956,2.143778212,1.87250866,2.103431448
9166,C28 H40 N2 O2,Termitomycamide B Esi+9.630993,453.3303,9.630993,0.585278404,0.634802454,0.438896283,0.489960619,0.583818031,0.715451957,0.468571519,0.247772757,0.301260353,0.183962993,0.226582615,0.250439125,0.336031585,0.190869038
9167,C27 H32 O8,"8?-Hydroxycarapin, 3,8-Hemiacetal Esi+10.134013",484.2097,10.134013,1.187892503,0.996674749,1.413816178,1.242670272,1.084235631,1.28960695,1.092929977,1.247928419,1.029369667,1.508665175,1.30648629,1.185000764,1.28732058,1.222530842
9168,C18 H47 N12 P S2,C18 H47 N12 P S2,526.3232,11.512964,0.493014746,0.731606113,0.146866959,0.661829328,0.161379573,0.922732736,0.187493941,0.496130639,0.762297143,0.17859867,0.678414253,0.203573232,0.907361081,0.230995222
9169,C16 H28 N6 O4,Pro Arg Pro Esi+10.217019,368.2166,10.217019,2.056918039,1.96796315,2.014410418,1.990013624,2.114127593,2.003029084,2.0320805,2.169784859,2.074211226,2.283802526,2.073945007,2.306703846,2.21197875,2.142580903
9170,C13 H16 O2,Cinnamyl isobutyrate,204.1142,7.3559914,0.714209404,0.884823832,0.432025373,0.764890424,0.597156681,1.008912367,0.495895275,-0.727604017,-0.804819584,-0.6354872,-0.770693091,-0.680585035,-1.023368985,-0.536913446
9171,C8 H19 N7 P,C8 H19 N7 P,244.1515,0.87699914,0.256083116,0.283486441,0.073842134,0.534803184,0.183062788,0.774161306,0.078599539,-0.094012065,-0.12773855,-0.05377696,-0.196470867,0.035771658,-0.253463608,0.008792219
9172,C12 H30 N6 O4 S,C12 H30 N6 O4 S,354.2043,12.012961,0.31864383,0.377897314,0.198896115,0.186963289,0.473712862,0.161764436,0.333805688,-0.19867107,-0.251468054,-0.135685194,-0.131534405,-0.29844973,-0.134638804,-0.239955031
9173,C18 H35 N4 O3,C18 H35 N4 O3 Esi+10.056001,355.2716,10.056001,0.643577751,0.75357756,0.460927297,0.682066602,0.543605267,0.61406067,0.621669474,-0.695636746,-0.825675921,-0.540502291,-0.628729865,-0.803072878,-0.586684947,-0.765881984
9174,C22 H55 N19 O3 P,C22 H55 N19 O3 P,664.4587,14.229003,0.569371238,0.666320202,0.404405836,0.787438384,0.43840115,0.603928053,0.523452104,-0.552457135,-0.614633278,-0.478282088,-0.532450985,-0.607492129,-0.464720548,-0.609024145
9175,C19 H47 N15 O3 P,C19 H47 N15 O3 P Esi+12.529034,563.3886,12.529034,0.482315494,0.28098521,0.674145445,0.556892822,0.407726526,0.55307906,0.462722855,-0.323291255,-0.234375538,-0.429366145,-0.378675084,-0.281640115,-0.356203222,-0.302071697
9176,C12 H24 N2 O4,Carisoprodol Esi+10.797028,277.2015,10.797028,0.064657399,0.020453821,0.219045698,0.060245091,0.111446304,0.078777691,0.20056288,0.084909154,0.088328312,0.080830158,0.142372039,0.009972694,0.053858651,0.104928557
9177,C11 H22 N4 O2,C11 H22 N4 O2,242.1734,3.505995,1.596645117,1.603651841,1.487562181,1.578157445,1.640991469,1.566326653,1.599226441,0.877704444,1.000787551,0.730868457,0.887063605,0.884639288,0.913822148,0.85441803
9178,C20 H2 N2 O23 P S2,C20 H2 N2 O23 P S2,732.8253,5.263,2.234149859,2.256799135,2.242182576,2.353531176,2.236982179,2.340810643,2.221704946,2.840533369,2.827777538,2.85575085,2.785644815,2.897329007,3.039903617,2.711992024
9179,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+15.75098",436.3537,15.75098,0.432520713,0.672025094,0.120034657,0.573295148,0.288203588,0.431786738,0.367624596,-0.325585166,-0.548209648,-0.059998065,-0.361772463,-0.270106755,-0.324343586,-0.326385659
9180,C24 H37 N15 P,C24 H37 N15 P Esi+13.100021,564.2903,13.100021,0.138419635,0.136454699,0.026025561,0.277062813,0.132771769,0.332617135,0.005762439,0.148310116,0.166197761,0.126970469,0.31633269,-0.092978487,0.284890102,0.060251967
9181,C21 H32 N4 O6,HC Toxin,458.2137,8.72802,0.572027941,0.718832944,0.346342521,0.746019376,0.157768834,0.706954885,0.447391559,-0.163394489,-0.205361582,-0.113328482,-0.269496953,-0.013365712,-0.24018076,-0.11388755
9182,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+9.415017",342.2028,9.415017,0.406300512,0.23293821,0.736071613,0.272013546,0.572318619,0.455211292,0.443653219,0.26721556,0.141077801,0.417695693,0.160456435,0.380302645,0.313275726,0.237518874
9183,C41 H76 Cl2 N22 O3,C41 H76 Cl2 N22 O3,994.5845,14.122013,0.197462334,0.346841826,0.066224261,0.193037971,0.142552857,0.153184338,0.141713326,-0.04447017,-0.166981041,0.101683151,-0.023525091,-0.093912287,-0.024177432,-0.057553645
9184,C35 H62 O5,"DG(15:1(9Z)/17:2(9Z,12Z)/0:0)[iso2]",561.4578,15.967025,0.938334439,0.846918599,0.890501618,0.973007237,0.752049,0.74779871,0.943401742,1.037976461,1.028446794,1.049345187,1.065094715,1.043041206,0.858428081,1.153737917
9185,C37 H13 N10 O15,C37 H13 N10 O15,837.0556,13.677982,1.264832596,1.173554659,1.35887482,1.202163225,1.282422833,1.221733377,1.297841119,0.767290043,0.767273872,0.767309335,0.780665257,0.730130226,0.784659958,0.756091019
9186,C28 H32 O10,Physalin O Esi+14.177982,527.1895,14.177982,0.922917504,1.02512492,0.677416071,0.956967988,0.784382827,0.999203284,0.823351106,-0.728898073,-0.743190905,-0.711846975,-0.748688891,-0.687179008,-0.854345421,-0.648017545
9187,C20 H38 O5,"9,12-dimethoxy-13-hydroxy-10-octadecenoic acid",375.3005,11.3159895,0.886718188,0.861843088,0.79665679,0.818738509,0.863861843,0.72301157,0.949558322,-0.43390015,-0.457871981,-0.405302176,-0.415765241,-0.461015192,-0.400378363,-0.455512881
9188,C17 H46 N23 P,C17 H46 N23 P,603.4041,13.950983,0.941532068,0.903519297,0.998839501,0.98573845,0.797578361,0.921035202,0.91168258,0.571703432,0.556733068,0.589562813,0.623193492,0.484893759,0.594481668,0.557017464
9189,C17 H29 N O4,C17 H29 N O4 Esi+7.626984 :1,311.2006,7.626984,0.472946553,0.460792861,0.481937142,0.407383995,0.633098189,0.509707305,0.477342952,0.310086134,0.32097157,0.297099999,0.277513997,0.363143066,0.292545314,0.321395347
9190,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+16.23097",574.4584,16.23097,1.834162823,1.915662364,1.698944317,1.833757212,1.828234657,1.790859818,1.834858383,-1.41645069,-1.615070187,-1.179501114,-1.344683033,-1.517854334,-1.361597562,-1.451816522
9191,C33 H54 N6 O11,C33 H54 N6 O11 Esi+12.827962,710.3855,12.827962,1.053633524,0.823668896,1.446808102,1.219335492,0.968938478,1.120677773,1.05930997,0.775653088,0.614633115,0.967747092,0.824851161,0.695634633,0.744348176,0.795836519
9192,C12 H25 N O,dodecanamide,199.1934,11.98704,1.52308849,1.785500901,1.288018818,1.611581579,1.55049788,1.72020413,1.436076617,-0.387484223,-0.463332822,-0.296998176,-0.361875096,-0.414821064,-0.401172527,-0.37865887
9193,C22 H47 N O,C22 H47 N O Esi+11.097988,341.3651,11.097988,0.159313457,0.364104946,0.13579455,0.21244457,0.041720374,0.252770544,0.089376165,-0.019596438,-0.114850227,0.094039661,-0.015456528,-0.027020339,-0.021304072,-0.018495463
9194,C15 H13 F O,CAY10512,228.0941,6.477014,0.456752668,0.301527622,0.467702381,0.196777029,0.560992544,0.079424769,0.461451771,-0.292638142,-0.211934121,-0.388916623,-0.137893812,-0.492349809,-0.074033177,-0.433580817
9195,C25 H33 F O4,AL 8810 methyl ester,416.2404,9.805015,0.113161063,0.101297398,0.377572011,0.070263501,0.452672208,0.004658424,0.176691631,-0.004525888,0.102207094,-0.131856464,0.144670738,-0.234764587,0.105276517,-0.075319545
9196,C15 H29 N7 O5,Asn Val Arg,387.2226,0.83899987,1.520172433,1.447637211,1.360110717,1.438098992,1.411911311,1.07490439,1.629737404,1.517910526,1.479637504,1.563569569,1.524193672,1.517909972,1.216452087,1.712271888
9197,C38 H50 N2 O10,Elatine,694.3559,14.362042,1.888198648,2.025674965,1.824722126,2.104239944,1.873930311,2.206642859,1.83303436,-0.851765776,-0.991953564,-0.684524203,-0.823510687,-0.884310823,-0.891925793,-0.825873132
9198,C13 H22 N7,C13 H22 N7,276.1923,7.784024,0.247940917,0.016131388,0.667537723,0.29110324,0.344622796,0.163408125,0.411648016,0.124412411,0.004205495,0.267817152,0.09152447,0.162420633,0.015280283,0.194773914
9199,C16 H26 O6,Perilloside A Esi+6.2869897,314.1713,6.2869897,0.762114266,0.92695986,0.325018358,0.546437616,0.747260305,0.67971518,0.613464655,-0.360001379,-0.491275296,-0.203393898,-0.322179164,-0.402870088,-0.378234272,-0.348245961
9200,C35 H42 N4 O10,Hv-NCC-1 Esi+12.092023,677.2895,12.092023,0.796489663,0.682806762,0.88154119,0.7771252,0.700048598,0.66195233,0.739670843,-0.563601526,-0.537047401,-0.595280131,-0.702704337,-0.377692338,-0.680005552,-0.488551562
9201,C23 H34 O11,"15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside",486.2127,7.2060137,0.24009315,0.046093526,0.43257903,0.117440059,0.40068627,0.156174776,0.458581954,-0.364279316,-0.225603775,-0.529716802,-0.238262153,-0.540407975,-0.022109298,-0.584888932
9202,C45 H74 O19,Melongoside O,918.486,8.175015,0.322387258,0.237758116,0.655093897,0.522194898,0.240615209,0.254363799,0.415551802,-0.056306638,-0.015439491,-0.105060427,-0.123268437,0.031767342,-0.045063955,-0.06355521
9203,C22 H47 N O5,Aminopentol,422.3746,14.805979,1.951209764,1.954203455,1.794694456,1.889415166,1.828632265,1.961775138,1.829017978,-1.271420486,-1.38904953,-1.1310911,-1.294752341,-1.227259161,-1.341294687,-1.226370014
9204,C45 H70 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi+14.489013",690.5212,14.489013,0.86509401,1.057267464,0.72332331,0.918057067,0.728362627,0.740932011,0.985825932,-0.852296878,-0.977368057,-0.703089157,-0.959058366,-0.719354054,-0.734219533,-0.928425693
9205,C15 H24 O5,Dihydroartemisinin Esi+8.732021,306.1436,8.732021,0.549886851,0.346602774,0.628353728,0.334790321,0.634428183,0.293199503,0.64044457,-0.244041636,-0.160471293,-0.34373959,-0.234242474,-0.255323503,-0.191655789,-0.277816722
9206,C33 H54 N4 O2,C33 H54 N4 O2,538.4222,14.604984,1.180363085,1.301759835,0.975451456,1.152638916,1.108509205,1.071795666,1.149355153,-0.785903062,-0.991001145,-0.541224647,-0.737923205,-0.869691941,-0.718320839,-0.82947581
9207,C13 H20 O3,3-Methylbutyl 2-furanbutanoate Esi+7.959989,224.1417,7.959989,0.221785107,0.285651674,0.136765476,0.387270463,0.03865108,0.18826444,0.160874508,-0.046620448,-0.074315895,-0.013580265,-0.118579379,0.045362337,-0.033365971,-0.055166098
9208,C21 H39 N O4,N-Oleoyl-L-Serine Esi+7.7419753 :1,391.2667,7.7419753,0.99902368,0.966822151,1.068445465,1.111712679,0.841945684,0.93039376,1.014289916,-0.517704105,-0.453711583,-0.594046062,-0.544738982,-0.499286172,-0.424975186,-0.577489856
9209,C40 H70 Cl N3 O4 P,C40 H70 Cl N3 O4 P,722.4783,12.154034,1.232736003,1.242463252,1.273723433,1.24514933,1.136802724,1.364752478,1.190197915,0.726171492,0.773534967,0.669667698,0.773804523,0.63114646,0.860633404,0.639478944
9210,C36 H69 O13 P,PI(15:0/12:0) Esi+8.119013 :2,740.4527,8.119013,0.027613077,0.197230867,0.219425275,0.031651599,0.004865999,0.209223261,0.080962839,-0.021448565,0.083712163,-0.146903469,-0.011850817,-0.045914427,0.085640628,-0.090492914
9211,C19 H32 O7,9-Hydroxy-7-megastigmen-3-one glucoside Esi+7.259006,372.2129,7.259006,0.384536339,0.356647696,0.408686703,0.56825216,0.267146118,0.86012241,0.161087081,0.174121234,0.151661988,0.200914721,0.225874873,0.087825296,0.374688087,0.044808395
9212,C16 H30 N7 O,C16 H30 N7 O Esi+9.597998,336.2494,9.597998,1.21172198,1.265239521,1.059932884,1.18490793,1.238995978,1.203550212,1.142999213,-0.781177831,-0.773897479,-0.789863163,-0.699642007,-0.915709525,-0.676648042,-0.848572037
9213,C18 H34 O4,6-HpOME(7E) Esi+16.07001,314.2453,16.07001,1.26118977,1.257342823,1.086045251,1.242672378,1.060679465,1.261344169,1.097266294,-0.985266351,-1.098067792,-0.85069621,-1.042589508,-0.901399119,-1.117658065,-0.899908535
9214,C52 H85 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",899.625,14.52498,0.890865254,0.897175495,0.782149984,0.899792153,0.681897258,0.790718766,0.890873522,-0.679323431,-0.702101693,-0.652149364,-0.646795997,-0.731281811,-0.565071431,-0.752985905
9215,C28 H44 O5,Polyporusterone G Esi+14.204032,460.3175,14.204032,0.913138621,0.885227993,0.790924124,0.800877457,0.863587719,0.754740797,0.792609099,-0.52335991,-0.578119864,-0.458032245,-0.423708622,-0.684013532,-0.485864765,-0.547534411
9216,C23 H18 N9 O11 P,C23 H18 N9 O11 P,627.0858,13.699972,1.331141981,1.336942231,1.336418147,1.341652556,1.299866109,1.419329023,1.260410226,0.937699726,0.988590055,0.876988457,0.961248038,0.880361733,1.0424488,0.870164139
9217,C24 H43 N3 O3,N-stearoyl histidine,443.3087,7.6300044,0.007141836,0.175375891,0.274688102,0.013574872,0.04713606,0.161943719,0.080661568,-0.013976076,0.103355856,-0.153951014,0.015780317,-0.079704128,0.095339116,-0.084455608
9218,C47 H85 N O8 P,"PC(16:0/23:5(8E,11E,14E,17E,20E))",821.5962,12.592024,0.173513116,0.121447377,0.327133292,0.133256999,0.272293484,0.401793935,0.090621343,0.142608573,0.12309351,0.165889702,0.160231753,0.095732535,0.262582093,0.065257225
9219,C14 H41 N12 P,C14 H41 N12 P,408.3254,14.405025,0.741831761,0.785645921,0.518482621,0.656252426,0.704136169,0.592475222,0.717427377,-0.648076883,-0.73840056,-0.54032232,-0.589495909,-0.73106052,-0.623818324,-0.663717269
9220,<none>,<none> Esi+11.090997,580.8324,11.090997,1.324626492,1.078308981,1.665677066,1.239957277,1.508835252,1.11520846,1.549336323,0.655299638,0.556801124,0.772806637,0.656837005,0.653634448,0.590001516,0.697399743
9221,C33 H58 N9,C33 H58 N9 Esi+16.81299,580.4807,16.81299,0.928798343,1.029294646,0.667041762,0.984453775,0.703639586,0.923452037,0.830562772,-0.504512778,-0.677351202,-0.29831957,-0.536705209,-0.427321342,-0.564802797,-0.465641582
9222,C18 H34 N3 S2,C18 H34 N3 S2,356.2169,9.8189945,0.415581836,0.256775435,0.565016945,0.389199353,0.428541761,0.245894655,0.465425749,-0.134268141,-0.047781719,-0.237444926,-0.071071489,-0.240839482,-0.031368628,-0.200611249
9223,C23 H51 Cl N10 O S2,C23 H51 Cl N10 O S2,582.35,11.318994,0.028089549,0.186974221,0.210918019,0.067841453,0.118838793,0.309798924,0.107130116,0.094680065,0.202990891,-0.03453285,0.215706813,-0.085861151,0.349053518,-0.069323872
9224,C12 H22 S2,Dicyclohexyl disulfide Esi+3.9669926,230.1143,3.9669926,0.251457453,0.063405228,0.510502515,0.16226657,0.283748869,0.395546962,0.202383369,0.27358938,0.132049541,0.442443926,0.284191344,0.230496798,0.483831333,0.138038648
9225,C28 H42 N16 O3,C28 H42 N16 O3,650.3675,13.311015,1.413353635,1.226123254,1.724528013,1.473249591,1.447311841,1.484709518,1.404437299,1.276794145,1.102553846,1.484659765,1.276788664,1.237305701,1.280945193,1.274117812
9226,C18 H26 N2 S,C18 H26 N2 S,301.1907,5.978016,0.981899944,0.900944677,0.809183565,0.731464034,1.091886851,0.829464111,0.901734823,0.705993491,0.843266815,0.542228824,0.552394372,0.915745856,0.676816854,0.724804744
9227,C21 H35 N7 O5,Arg Lys Tyr Esi+8.68503,482.2937,8.68503,0.335750629,0.558364725,0.085457736,0.501078853,0.055037654,0.626539579,0.037460058,-0.144039569,-0.243815122,-0.025009085,-0.245972869,0.014641936,-0.268974866,-0.06348918
9228,C26 H39 N2 O P,C26 H39 N2 O P,426.281,6.9239845,0.010957035,0.087109201,0.090500985,0.115115287,0.13563736,0.019582835,0.017037495,-0.013137512,0.08925069,-0.135284842,-0.061439415,0.028416449,0.053879193,-0.056345651
9229,C40 H54 O3,Adonixanthin/ 4-Ketozeaxanthin Esi+13.889963 :1,581.4041,13.889963,1.012626235,1.060202198,1.02482851,1.007726319,0.968590055,1.085282687,1.037444649,0.552265792,0.603511334,0.49113076,0.587273705,0.485845169,0.610286317,0.514857823
9230,C20 H32 O8,Cincassiol B Esi+9.034019,400.2101,9.034019,0.205941206,0.209513488,0.172850788,0.272511086,0.085717378,0.658715306,0.110245744,0.195929336,0.200453052,0.190532621,0.268766149,0.091605092,0.510018461,-0.006575495
9231,C22 H53 N15 P S,C22 H53 N15 P S,587.3873,7.447015,0.757751835,0.507091245,1.069456167,0.948025412,0.60371618,0.631737497,0.766844763,-0.397534178,-0.206016619,-0.626011266,-0.405791088,-0.410482807,-0.258201195,-0.487367285
9232,C45 H87 N23 P,C45 H87 N23 P,977.7174,14.858963,0.528751468,0.46831566,0.448717989,0.528352361,0.451937796,0.490017393,0.469710687,-0.263270241,-0.279436909,-0.24398369,-0.302475392,-0.218939679,-0.238169734,-0.279453463
9233,C40 H46 N2 O6,Metocurine Iodide,650.3304,13.827959,1.219483731,0.894268568,1.461406477,1.244037502,1.041133544,1.136422767,1.182517822,1.039195744,0.814546415,1.307198453,1.025581864,1.048663425,1.044126338,1.036016809
9234,C26 H19 N5 O13 S4,C.I. Food Black 2 Esi+11.9729805,735.9779,11.9729805,1.756443925,1.752316096,1.790425941,1.836217318,1.682945417,1.812231152,1.761591822,1.081729306,1.121236843,1.034597508,1.118119752,1.001399091,1.14468325,1.041140579
9235,C22 H45 N O,Docosanamide Esi+10.808011,339.3495,10.808011,0.070982075,0.263849565,0.168402384,0.033498083,0.096900588,0.029318503,0.102646787,-0.000129813,-0.073497758,0.087396857,0.035446004,-0.054933361,0.06172834,-0.040012044
9236,C15 H22 O4,Isoleptospermone Esi+8.109988,266.1512,8.109988,0.222706743,0.025688189,0.524283427,0.006414177,0.521983949,0.197581288,0.512989542,0.085436458,-0.053656099,0.251371439,-0.041771123,0.289498768,-0.134461787,0.227212959
9237,C21 H39 N O6,Sphingofungin F Esi+15.287041,401.2776,15.287041,2.060232981,2.135971511,1.923862545,2.162981927,1.983679561,2.120265478,2.053286996,-1.469688011,-1.607100518,-1.305757301,-1.516243562,-1.387871349,-1.453573581,-1.480077578
9238,C41 H72 N O7 P,"PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))",720.4965,14.847974,0.718502661,0.653168154,0.779432388,0.735003912,0.69556159,0.632540675,0.781481805,0.508934511,0.480227675,0.543181262,0.513607953,0.477634495,0.469741245,0.534203853
9239,C18 H23 N5 O5 S,Cys His Tyr,438.17,11.577017,2.268300228,2.055270283,2.486749197,2.288973235,2.321703633,2.074240861,2.38479111,3.451896409,3.032041768,3.952775629,3.273455372,3.725622432,3.156650027,3.642252629
9240,C36 H55 N28 P,C36 H55 N28 P Esi+13.560038,910.4905,13.560038,0.277037841,0.002585574,0.578617783,0.298548826,0.124268382,0.270636939,0.230701253,0.251680723,0.087160581,0.447950366,0.335136745,0.111509126,0.27529961,0.236452756
9241,C26 H52 N3 S2,C26 H52 N3 S2,470.3509,15.760987,0.725445971,0.75596887,0.661519279,0.666317556,0.833225852,0.473540454,0.811954089,-0.405193929,-0.403567587,-0.407134127,-0.336588292,-0.517465421,-0.27454166,-0.489430261
9242,C28 H52 O12,"alpha,alpha'-Trehalose 6-palmitate Esi+6.9709816",580.3429,6.9709816,0.422243483,0.682952199,0.042236785,0.415004858,0.200665765,0.649922846,0.166514684,0.140451182,0.295575533,-0.044609448,0.184721043,0.057698654,0.303198253,0.035522149
9243,C14 H20 O3,C14 H20 O3,236.1368,7.5739827,0.306510975,0.382211575,0.208796035,0.133488014,0.430971257,0.055281876,0.580765755,0.289335148,0.313145473,0.260929847,0.262636302,0.347908144,0.106130505,0.407453931
9244,C20 H30 N4 O2,SB 939 Esi+13.669997,358.2348,13.669997,2.126282926,1.935077407,2.27933784,2.054597604,2.197093606,1.917429136,2.176539436,2.827844147,2.57290455,3.131982613,2.716387372,3.02802427,2.631574308,2.954386542
9245,C16 H26 N O2,C16 H26 N O2 Esi+7.7729793,264.192,7.7729793,0.555811948,0.616683643,0.422487272,0.643930932,0.409359477,0.564293579,0.544598183,0.245536903,0.308083543,0.17091986,0.291581775,0.150128393,0.302028227,0.209114866
9246,C21 H28 N4 O4,C21 H28 N4 O4,400.2106,11.583007,2.017090384,1.736552671,2.334600552,1.92457787,2.192005492,1.927400857,2.07988712,2.384096945,2.060985858,2.769562802,2.257269762,2.557675956,2.251736431,2.469434645
9247,C55 H80 Cl N3 O4,C55 H80 Cl N3 O4,881.5831,13.544984,0.685397547,0.624510014,0.722034654,0.530989363,0.70795931,0.621563673,0.69942752,0.718363838,0.706679221,0.732303382,0.698170326,0.719136409,0.756544291,0.693747493
9248,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+9.480979",490.3094,9.480979,0.273480607,0.199126682,0.379208337,0.143580381,0.410172001,0.261630675,0.294711721,-0.243074488,-0.154263556,-0.349024373,-0.164085919,-0.329592325,-0.175021103,-0.286951013
9249,C24 H36 O5,Lucidone C Esi+10.541014,404.2534,10.541014,2.184970107,1.988661606,2.189462607,2.062420234,2.153293515,1.907391282,2.21780478,2.711603482,2.533668671,2.923876589,2.556976596,2.909730079,2.513544188,2.839299605
9250,C26 H42 O8,Fusicoccin H Esi+14.016041,504.2711,14.016041,0.508685136,0.42575156,0.492441735,0.415707832,0.567690732,0.539763313,0.462235427,0.298179954,0.284912277,0.314008059,0.280531123,0.334993435,0.356032956,0.260879991
9251,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+9.461017 :1",441.3288,9.461017,0.056532139,0.132647867,0.302288806,0.045348285,0.09398681,0.141488028,0.026980433,0.069014559,-0.051594494,0.212899044,0.153221786,-0.011018581,0.216774621,-0.026251796
9252,C29 H46 N O4,Cervonyl carnitine Esi+8.762968 :3,471.3346,8.762968,0.557759155,0.718685677,0.628390282,0.603686739,0.570526175,0.597338916,0.735971977,-0.468078769,-0.375179725,-0.5789057,-0.528424732,-0.394926932,-0.446563697,-0.481950329
9253,C16 H33 N O2,2S-aminohexadecanoic acid Esi+9.628009,271.2506,9.628009,1.484071537,1.565736214,1.591629703,1.406416306,1.763812112,1.566208372,1.565816846,1.026640558,0.943254509,1.126118653,0.941980702,1.173748987,0.951100475,1.075344033
9254,C5 H8 O2 S,3-methyl sulfolene,132.0227,0.845001,0.642704107,0.634208683,0.166356423,0.839537537,0.323303146,0.877094661,0.219160262,-0.171062179,-0.313008823,-0.001722323,-0.254753802,-0.059950402,-0.381270019,-0.035533441
9255,C17 H28 N6 O5,His Ile Gln Esi+10.269021,396.2115,10.269021,0.165594984,0.165827851,0.271244137,0.453659957,0.092823236,0.50750627,0.071972425,0.361884425,0.314493708,0.418420719,0.634196636,-0.043597013,0.664367512,0.166862435
9256,C35 H77 Cl2 N17 O P,C35 H77 Cl2 N17 O P,852.5623,13.295974,1.147410111,1.095871155,1.185258394,1.175421984,1.091996807,1.200975217,1.112766879,0.692889048,0.723856408,0.655945531,0.715433528,0.63854061,0.755841606,0.652301215
9257,<none>,<none> Esi+13.548017,593.7325,13.548017,1.201769104,1.100861245,1.275665138,1.098729194,1.268791837,1.11940827,1.252365177,1.482003455,1.495309552,1.466129515,1.422745891,1.539777737,1.451747423,1.501510634
9258,C32 H72 N29 O S,C32 H72 N29 O S Esi+13.987042,910.6147,13.987042,1.301870792,1.272860821,1.383854108,1.244551391,1.36071293,1.399794643,1.300168606,0.912018693,0.956472711,0.858985829,0.910765566,0.885329553,1.025093264,0.839115351
9259,C19 H28 N P,C19 H28 N P,300.1867,8.760988,0.570980223,0.398637948,0.865577302,0.47569119,0.710721648,0.679748366,0.56303068,0.413239531,0.302529692,0.545314426,0.36362884,0.476382122,0.462903924,0.381219066
9260,C16 H24 O7,PGDM Esi+5.875987,328.1501,5.875987,1.03457375,1.036895793,0.781913914,0.972932406,0.927493666,1.118359852,0.818914568,-0.497045545,-0.56082134,-0.42096214,-0.447398482,-0.536501878,-0.543814444,-0.466891912
9261,C29 H57 O10 P,L-Phosphatidic acid Esi+12.910965,613.3904,12.910965,1.707960454,1.744034515,1.650143717,1.594332684,1.875139003,1.684783219,1.758450133,1.021476829,1.13063496,0.891253093,0.990903311,1.053629901,1.020198092,1.022301277
9262,C19 H40 O4,C19 H40 O4 Esi+14.341012,332.2924,14.341012,1.027462853,0.832859135,1.280612262,1.274195583,0.846206819,1.056625658,1.02860261,0.560008386,0.438539662,0.704918442,0.583713296,0.49585236,0.529881383,0.579432375
9263,C6 H13 N3 O4,4-Hydroxycitrulline,191.0921,7.0469975,0.024663029,0.125143399,0.093609363,0.140294167,0.062306138,0.036986712,0.007685808,0.007073025,-0.013534414,0.031657338,-0.004684235,0.011238365,0.052593549,-0.022275733
9264,C17 H25 N3 O4,Ile Gly Phe Esi+9.630995,334.1747,9.630995,1.149050901,1.034385342,1.09378813,1.066989896,1.057433889,1.178036123,1.023665422,0.953011584,0.913114332,1.000608306,0.977523156,0.931677016,1.084802384,0.868041201
9265,C12 H22 N2 O8,N6-Galacturonyl-L-lysine Esi+7.4909916,322.139,7.4909916,0.976862131,0.9395687,0.970572429,0.952462898,0.990676548,1.04615711,0.859188421,-0.297082006,-0.319688354,-0.27011303,-0.275654881,-0.33777177,-0.33619711,-0.271863057
9266,C26 H6 N4 O16 P,C26 H6 N4 O16 P Esi+14.333986,660.9508,14.333986,1.566235863,1.390243904,1.738616187,1.469649787,1.579029757,1.493204237,1.602731857,0.940819436,0.877294017,1.016604147,0.937500117,0.928268009,0.966537194,0.92423825
9267,C36 H54 O8,Synaptolepis factor K1 Esi+8.698982 :1,631.4124,8.698982,0.356556202,0.335865461,0.524304748,0.485086527,0.233872788,0.273282599,0.367811318,-0.328468194,-0.272892315,-0.394769243,-0.405449007,-0.235572438,-0.211084589,-0.404149729
9268,C9 H19 N O,C9 H19 N O Esi+4.616008,157.1471,4.616008,0.648680363,0.438779656,0.915762475,0.553170352,0.752508608,0.425226837,0.862149307,-0.638540955,-0.472187069,-0.836998223,-0.601761754,-0.705429343,-0.396439154,-0.794632906
9269,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+15.053969 :2",734.4246,15.053969,0.325484123,0.138910767,0.551409484,0.343096242,0.269008365,0.439466329,0.273050587,0.348037491,0.224551772,0.495353789,0.400554736,0.278797535,0.470576422,0.269032128
9270,C17 H9 Cl3 N3 O11 S5,C17 H9 Cl3 N3 O11 S5,694.808,12.635988,0.637700475,0.59657789,0.509675931,0.771797496,0.372675327,0.356996157,0.665617722,-0.308317533,-0.327067315,-0.285949372,-0.346901151,-0.277003257,-0.18018811,-0.390927293
9271,C15 H3 O20 S,C15 H3 O20 S Esi+14.082018,534.8943,14.082018,0.675556947,0.720195623,0.52470351,0.837890096,0.501073637,0.809856596,0.572375406,-0.399908587,-0.443797534,-0.347549843,-0.458079533,-0.338447561,-0.448982491,-0.368268833
9272,C35 H43 N4 O11 P,C35 H43 N4 O11 P,726.268,15.104985,1.452547176,1.504050204,1.655026769,1.503308441,1.731733846,1.456022672,1.643792972,0.959727734,0.827280804,1.117734598,0.850628967,1.122805434,0.721523703,1.113306648
9273,C17 H26 N2 O2,2-Hydroxymethylropivacaine,290.1988,7.2869897,0.55726486,0.429533688,0.610333453,0.454960855,0.626919244,0.326481251,0.636573263,-0.400028077,-0.437112096,-0.355787493,-0.379395773,-0.463923948,-0.305079738,-0.46124477
9274,C27 H46 N O7 P,"LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi+9.162992",549.2822,9.162992,0.834717095,0.826354753,0.757002097,0.951629199,0.411378726,0.707690918,0.792697346,-0.675502357,-0.777749395,-0.553523435,-0.95346239,-0.311946598,-0.866831643,-0.552145318
9275,C27 H43 N22 O4 P,C27 H43 N22 O4 P,770.3569,5.307994,1.395130823,1.437544219,1.18758447,1.274873057,1.475796423,1.168234318,1.43717525,1.389971582,1.437783472,1.332932836,1.327137278,1.530908533,1.238091827,1.487894055
9276,C8 H15 N2 S,C8 H15 N2 S Esi+4.6729865,171.1019,4.6729865,0.251494367,0.309783885,0.042790798,0.371221957,0.051764159,0.394795955,0.042794392,-0.191684574,-0.259694827,-0.110549534,-0.28047213,-0.084393131,-0.382729411,-0.068510928
9277,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+14.43504",353.3287,14.43504,1.194313588,1.352858094,0.748933335,1.052917421,1.123732586,1.228024699,1.060913333,-0.844374431,-1.080127599,-0.563125038,-0.795638995,-0.903758373,-1.012064121,-0.73625871
9278,C16 H30 N6 O6,Arg Val Glu,402.2195,6.446012,0.302065052,0.568775289,0.094991476,0.335991409,0.241573352,0.529444272,0.16082932,0.110440776,0.616191764,-0.49291128,0.246898187,-0.117980759,0.53440411,-0.162904005
9279,C16 H24 N2 O13 P2,"dTDP-4-oxo-2,3,6-trideoxy-D-glucose",514.0782,13.834977,0.695721599,0.837240387,0.466730227,0.631309617,0.678244445,0.720730007,0.64736583,-0.562331585,-0.665202854,-0.439607967,-0.576149897,-0.559399538,-0.666990785,-0.494853943
9280,C19 H17 N2,Sempervirine Esi+4.840996,272.1228,4.840996,0.778825682,0.674140167,1.009040566,1.101579915,0.615358473,1.200487695,0.608138211,0.79705676,0.715660424,0.89416116,0.982246601,0.528985263,1.144905736,0.572785709
9281,C42 H62 O11,Avermectin A1a monosaccharide Esi+15.235038 :2,764.4119,15.235038,1.545608093,1.484059517,1.642396595,1.589726886,1.525859379,1.629255784,1.498927631,1.272236161,1.251562408,1.296899585,1.303596028,1.227775171,1.360301241,1.215457359
9282,C36 H62 O5,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi+15.2939625 :1",574.4587,15.2939625,1.339400099,1.473928112,0.996580738,1.355875252,1.156783565,1.300480221,1.26649468,-1.10200425,-1.331163777,-0.828620954,-1.134441182,-1.053875895,-1.199580322,-1.039093361
9283,C24 H32 O8,Melleolide C,448.2085,6.3990107,0.400270273,0.403320377,0.269941063,0.610676892,0.035346347,0.542066208,0.225443889,0.236067751,0.292642747,0.168574773,0.402024697,-0.012690494,0.403029142,0.128421591
9284,C24 H34 N20 P,C24 H34 N20 P,633.3011,12.105976,2.030267314,2.129153125,1.867324296,2.019593572,2.059099645,1.922961231,2.06113465,-1.409991264,-1.475639572,-1.331673985,-1.441634704,-1.373744555,-1.433909912,-1.39457003
9285,C29 H64 Cl N4 O9,C29 H64 Cl N4 O9,647.4249,13.92897,0.24886323,0.066666196,0.373687469,0.262499728,0.127323355,0.182444456,0.230909097,0.332767799,0.286024278,0.388531999,0.506151511,0.040122868,0.392915997,0.29398804
9286,C15 H32 O6,"1,2,3-Tris(1-ethoxyethoxy)propane Esi+7.737028",325.2462,7.737028,1.098770446,1.046164871,1.13469863,1.199195112,1.046531212,1.24086919,1.016275522,-0.719949212,-0.668807005,-0.780960967,-0.762207106,-0.688257496,-0.728622093,-0.714357486
9287,<none>,<none> Esi+13.166014,603.7364,13.166014,1.543506891,1.680380632,1.434536943,1.577029549,1.530063274,1.660537943,1.509216513,0.855126386,0.937968183,0.756297576,0.888590968,0.793138121,0.906664268,0.821898015
9288,C18 H35 N8 O,C18 H35 N8 O,379.293,13.758038,0.058347857,0.37126887,0.610221575,0.088862125,0.272975358,0.137759647,0.19606924,0.05277313,-0.154783627,0.3003847,0.005098883,0.140821054,-0.066165199,0.129457053
9289,C33 H58 O10,Antibiotic X 14889C Esi+13.56398,636.3861,13.56398,0.684405438,0.523117492,0.82074252,0.586077316,0.790306947,0.450768048,0.827117843,0.4641961,0.37119537,0.575144338,0.436242673,0.501997287,0.358078905,0.532613765
9290,C28 H54 N17 O S,C28 H54 N17 O S,676.4438,12.830009,1.087957689,1.081570002,0.973588246,0.995574386,1.157543153,0.868141938,1.170235196,1.003192464,0.984305015,1.025724859,0.84318439,1.211545176,0.785170336,1.143759362
9291,C23 H39 N O,Macamide B Esi+13.00398,362.3294,13.00398,1.155908187,1.35112103,0.760845055,1.082546746,1.150250039,1.491837093,0.884292176,-0.340178533,-0.438874405,-0.222436089,-0.306451438,-0.375034252,-0.471499178,-0.255511275
9292,C25 H34 F2 O5,Tafluprost Esi+10.887963,452.2377,10.887963,0.438822322,0.296731007,0.517742761,0.399500903,0.388219117,0.427613568,0.406579374,0.42367612,0.330228138,0.535157924,0.464885495,0.369547877,0.479321066,0.387799774
9293,C25 H51 O7 P,PA(22:0/0:0) Esi+15.302982,494.3362,15.302982,0.638822768,0.495440438,0.748189885,0.728932188,0.571138991,0.539568442,0.594967973,-0.175888424,-0.103045044,-0.262789298,-0.191274792,-0.190171801,-0.123233104,-0.209837249
9294,<none>,<none> Esi+12.680002,545.8479,12.680002,1.219902091,1.148838749,1.17626872,1.115953825,1.1746451,1.210453561,1.150755862,1.140139628,1.155007265,1.122402797,1.173317472,1.071754413,1.26424832,1.060122182
9295,C19 H37 N8 O3 P,C19 H37 N8 O3 P,456.2722,11.12101,0.998840716,1.112132866,0.785539738,1.035831445,0.872338259,1.089088715,0.892293593,0.625752872,0.781205897,0.440300142,0.66738125,0.522390346,0.773612639,0.530422234
9296,C27 H46 N4 O3 P,C27 H46 N4 O3 P,505.3295,10.198981,0.968842328,0.987750166,1.027788464,1.025257546,0.836996131,1.129715762,0.903617703,0.617150446,0.642742976,0.586619007,0.692271033,0.481505891,0.755561724,0.527911596
9297,C25 H34 N2 O3,Tilorone Esi+6.113004,427.2765,6.113004,0.431226534,0.389083958,0.594068274,0.459783521,0.39218012,0.227829267,0.521567961,-0.458754453,-0.353866128,-0.583884385,-0.439243773,-0.505870327,-0.235764308,-0.602524415
9298,C19 H6 N3 O23 P,C19 H6 N3 O23 P,674.9141,12.809018,0.777991025,1.067521186,0.133949361,0.66034668,0.724919318,0.931494707,0.612623666,-0.399950713,-0.623574407,-0.133171568,-0.353933328,-0.447827993,-0.526252386,-0.318519371
9299,C30 H50 O6,Theasapogenol A Esi+14.534968,506.3599,14.534968,0.255977534,0.447909559,0.071351744,0.310568861,0.11962374,0.395613335,0.093284302,-0.251632889,-0.462813802,0.000302235,-0.321214719,-0.154674437,-0.484835996,-0.101278254
9300,C28 H26 O18,"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside Esi+13.302982",650.1132,13.302982,0.457266775,0.494475802,0.174447382,0.497908358,0.188386162,0.489699341,0.292503764,-0.115385062,-0.1745901,-0.044754492,-0.107907573,-0.143323991,-0.155369182,-0.089605827
9301,C29 H43 N8 O4,C29 H43 N8 O4 Esi+10.996008,567.3454,10.996008,0.68430927,0.70538348,0.44380505,0.839782458,0.416829366,0.541700115,0.674618036,-0.266561277,-0.348674258,-0.168601931,-0.299554336,-0.234554518,-0.212334847,-0.301523054
9302,C26 H34 N2 O3,4-Quinolone-3-Carboxamide CB2 Ligand,444.2388,10.815993,1.010203987,0.889325765,1.334780344,1.008103106,1.278340802,1.043126558,1.134604077,0.518562096,0.373374251,0.691768648,0.441808978,0.640544424,0.395528152,0.597886612
9303,C30 H59 N O7 P,"PC(22:2(13Z,16Z)/0:0) Esi+13.354984",598.382,13.354984,0.719286705,0.76420426,0.73733484,0.708037896,0.82521173,0.604755566,0.855370752,0.391208401,0.439617452,0.333457253,0.36019286,0.429974576,0.307541194,0.445151731
9304,C46 H85 O12 P,"PI(P-20:0/17:2(9Z,12Z)) Esi+13.614991",859.5709,13.614991,1.183104977,1.026576317,1.447543597,1.286599472,1.067292414,1.351320988,1.097126807,0.67575828,0.63478446,0.724639328,0.705181945,0.619625672,0.757940863,0.622772141
9305,C37 H40 N4 O7,Haplophytine,652.2911,13.951974,0.442778973,0.594774292,0.163621123,0.528585676,0.14500528,0.675710008,0.228002991,-0.210137317,-0.413587993,0.032575771,-0.371948616,0.033452476,-0.445956878,-0.058095757
9306,C18 H37 N O4,C18 H37 N O4,331.2719,11.197999,0.560629517,0.545502445,0.428824645,0.387153913,0.558618998,0.137833662,0.691388305,-0.196685689,-0.212713985,-0.177564215,-0.149083269,-0.261012198,-0.07978633,-0.272055013
9307,C16 H22 N7 O,C16 H22 N7 O,327.147,8.836027,0.689370626,0.509608454,0.725450717,0.676172643,0.481709676,0.807630048,0.421903692,0.470176963,0.35639997,0.60591092,0.545807884,0.347727835,0.63126491,0.366317629
9308,C16 H32 N6 O5,Lys Lys Asn Esi+8.772977,388.2432,8.772977,0.014063562,0.297250998,0.309618867,0.09763122,0.038768838,0.206924697,0.056613486,-0.014587016,0.219071401,-0.293337408,0.056618554,-0.145584913,0.156860357,-0.125125453
9309,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.031986",278.2243,16.031986,1.35432329,1.334680859,1.327502021,1.336472821,1.314272106,1.356066175,1.311519937,-1.132416033,-1.279750287,-0.956648853,-1.178651779,-1.073682434,-1.193842427,-1.092812174
9310,C24 H46 O3,3-oxo-tetracosanoic acid Esi+15.691956,382.3445,15.691956,1.630453257,1.885498249,1.394277841,1.629796482,1.769915208,1.718801522,1.672482488,-0.752965064,-0.893023044,-0.585878351,-0.672658678,-0.856689126,-0.724307873,-0.77144141
9311,C19 H31 N O4,C19 H31 N O4 Esi+8.327017,337.2304,8.327017,0.108633939,0.267886029,0.060119229,0.327062775,0.217355214,0.410948173,0.092627545,-0.051823635,-0.103226984,0.009499659,-0.175237358,0.125429811,-0.205667503,0.047365175
9312,<none>,<none> Esi+13.124018,694.8079,13.124018,0.903085328,0.948986105,0.74646266,0.919755332,0.686986487,0.958309401,0.847645415,-0.613642273,-0.712718065,-0.495446591,-0.617639721,-0.629402884,-0.721881356,-0.543856549
9313,C42 H74 N O10 P,"PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U] Esi+9.667989",782.4987,9.667989,0.490454917,0.735892659,0.149207968,0.505853176,0.311101015,0.705958094,0.336957227,0.256452394,0.411895039,0.071012045,0.322355439,0.14393105,0.419860628,0.151097085
9314,C16 H19 Cl N13 O7 P S,C16 H19 Cl N13 O7 P S Esi+13.159974,602.0845,13.159974,0.060235365,0.057847507,0.35037071,0.115870067,0.243289927,0.059438158,0.12154987,0.066259336,0.004162025,0.140340337,0.080036569,0.063229351,0.049994564,0.076745833
9315,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.978017,284.1235,5.978017,1.580503497,1.820976036,1.318239411,1.465806705,1.700896631,1.674296393,1.586224718,1.444298765,1.522807503,1.350639218,1.299605092,1.61406904,1.542080718,1.381255138
9316,C26 H42 O5,"3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid Esi+9.114012",434.3036,9.114012,0.90712753,0.911929528,0.951270938,1.128866136,0.623623862,1.178185536,0.736629201,-0.868313417,-0.811817694,-0.935711822,-1.069877993,-0.607518494,-0.959522346,-0.809507659
9317,C27 H47 N15 O2 P,C27 H47 N15 O2 P,644.3835,12.76603,0.058213229,0.050211765,0.249703609,0.121597156,0.048750715,0.222638599,0.001695166,0.190509393,0.03148582,0.380221727,0.276969404,0.045008326,0.308043101,0.114731082
9318,C14 H23 O4,(+)-trans-C75,232.1693,7.3199806,0.075143236,0.035228791,0.283066485,0.01139067,0.135103814,0.20724252,0.001993957,0.009053427,-0.097886316,0.136630663,0.003024972,0.002279647,0.091768597,-0.044276091
9319,C28 H48 N2 O S2,C28 H48 N2 O S2,492.3188,15.122019,0.331069387,0.402881527,0.060577547,0.011772751,0.553731702,0.077878276,0.390633281,-0.059910328,-0.146811174,0.043760858,0.019217564,-0.173209573,0.01414742,-0.107658086
9320,C20 H40 Cl N O5,C20 H40 Cl N O5,409.2575,9.82899,0.834963765,0.683907724,0.780962299,0.55997771,1.030377072,0.411905633,0.913600677,-0.786812149,-0.718048681,-0.86884576,-0.5480067,-1.132983622,-0.46664369,-0.99323655
9321,C12 H22 N2 O2,"1,8-Diazacyclotetradecane-2,9-dione Esi+0.86000055",226.1667,0.86000055,1.561259821,1.690847766,1.450204728,1.488181628,1.718579976,1.660052736,1.606610929,0.929234658,0.983733118,0.864218952,0.893876123,0.971155149,0.956969899,0.911352726
9322,C41 H71 O8 P,"PA(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+7.673981 :1",721.4816,7.673981,0.381793781,0.219491076,0.633025735,0.468444631,0.298367582,0.135951898,0.49751015,-0.200657351,-0.090666413,-0.331874611,-0.193233428,-0.232265358,-0.047830055,-0.299190739
9323,C12 H22 O2,7-Hexyl-2-oxepanone Esi+15.157975,198.1618,15.157975,2.071749501,2.195808416,1.79033843,2.129875813,1.940424914,2.16382484,1.972512432,-1.390521021,-1.552942031,-1.196755606,-1.411800164,-1.365035122,-1.427539952,-1.366653552
9324,C32 H59 N O5,C32 H59 N O5,537.4394,16.227036,2.234893536,2.372559055,1.980067348,2.295486694,2.142284539,2.303118408,2.195542471,-1.739629711,-1.959063755,-1.477848747,-1.762709092,-1.686498986,-1.679622168,-1.778318784
9325,C24 H41 N12,C24 H41 N12 Esi+15.534965,497.3512,15.534965,0.175811428,0.201667182,0.129918425,0.218018777,0.159097499,0.182398574,0.185597471,0.219525135,0.230319093,0.206648132,0.230028008,0.195058321,0.231824201,0.211595475
9326,C49 H88 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/21:0)",880.6038,14.582014,0.968188579,0.907527304,0.92280242,0.939099487,0.778491297,1.08945782,0.808129178,0.695735348,0.723784024,0.662273769,0.765309802,0.584435802,0.882371438,0.575404185
9327,C19 H38 O2,3-Methyl-3-butenyl tetradecanoate Esi+10.766022,315.3132,10.766022,0.901375761,0.967519453,0.613811919,0.986429907,0.807591961,0.925836112,0.831170559,-0.519692837,-0.597929167,-0.426358267,-0.562602631,-0.461511079,-0.560191833,-0.493581642
9328,C35 H75 N9 O8 P S,C35 H75 N9 O8 P S,812.5218,14.270016,0.951220365,0.746517121,1.17694669,1.053853543,0.8950376,0.758501134,1.0227163,-0.621550265,-0.565692418,-0.688187696,-0.61480492,-0.620871803,-0.482956415,-0.710906826
9329,C53 H95 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/22:0) Esi+8.719978",969.6439,8.719978,0.265189168,0.113674786,0.4707265,0.354545993,0.210502567,0.041190399,0.403859239,-0.131204569,-0.012965016,-0.272262283,-0.126464139,-0.163509633,0.056018047,-0.251913888
9330,C20 H21 D11 O3,5(6)-EET-d11,331.3073,10.167988,0.440748544,0.473990633,0.380400394,0.486975108,0.324714901,0.521719989,0.354063354,-0.187580007,-0.265747479,-0.094327584,-0.243746812,-0.094946516,-0.24032207,-0.153575255
9331,C27 H52 O4,MG(24:1(15Z)/0:0/0:0) Esi+15.406986,440.3858,15.406986,0.177694464,0.086231692,0.302294977,0.443421895,0.092544004,0.229113341,0.131128183,0.199444085,0.139232153,0.271275864,0.452073419,-0.13205712,0.270938654,0.153348903
9332,C16 H32 O6,C16 H32 O6 Esi+9.281005,320.2024,9.281005,2.105170029,2.013258337,2.260291839,2.180666424,2.115479733,2.053649637,2.17338475,2.286965895,2.090482682,2.521366922,2.232771512,2.342526196,2.210151537,2.336490942
9333,C23 H29 N O9,Etodolac glucuronide Esi+7.064979,463.1858,7.064979,0.581529137,0.571014768,0.32397463,0.440615238,0.535768674,0.500446228,0.495505804,0.397500219,0.501110686,0.273894751,0.44738063,0.343624536,0.44794421,0.364977121
9334,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.427984,314.2084,9.427984,1.544421218,1.444164198,1.800507567,1.594483696,1.692907492,1.641130617,1.641324528,1.989116232,1.785856224,2.231601857,1.77429134,2.247198265,1.925570535,2.030086485
9335,C25 H43 N11 O4 P,C25 H43 N11 O4 P,592.3241,14.323979,0.956286051,0.719368017,1.184236274,0.992757355,0.812555914,0.988580415,0.920495938,0.772501362,0.690354292,0.870501376,0.852417497,0.660490148,0.846418967,0.724843959
9336,C15 H19 N3 O6,Gly Phe Asp Esi+6.6400123,336.1182,6.6400123,0.720515393,0.582377886,0.973700796,0.621789413,0.995439322,0.463692725,0.87821082,-0.335473979,-0.244695195,-0.443771476,-0.213089034,-0.514360514,-0.155807134,-0.451311814
9337,C12 H18 F4 O,"8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol",265.1443,6.9329906,0.330368577,0.454477876,0.044421354,0.40707533,0.157486891,0.293704385,0.354236304,0.387788307,0.492450928,0.262927637,0.493547481,0.287958514,0.397684724,0.381407723
9338,C49 H87 O12 P,"PI(P-20:0/20:4(5Z,8Z,11Z,14Z)) Esi+13.113023",915.6215,13.113023,0.65197585,0.676277713,0.382638967,0.687402291,0.363693874,0.512246677,0.591048854,-0.238297478,-0.323412524,-0.136756721,-0.230172256,-0.268540601,-0.197058734,-0.264885615
9339,C41 H66 O13,Soyasaponin IV Esi+13.834976,766.4438,13.834976,0.699742251,0.562653276,0.718553851,0.714301704,0.567989983,0.380958897,0.864582213,0.829777331,0.715436801,0.966183577,0.887238278,0.784848771,0.531025666,1.022393535
9340,C21 H2 O20 P,C21 H2 O20 P Esi+10.021979 :1,604.8879,10.021979,0.687353251,0.667145877,0.598147195,0.427844205,0.86247364,0.436584989,0.755048798,0.262651022,0.30233884,0.215304151,0.172684251,0.382701111,0.217404244,0.291823286
9341,C35 H70 Cl N6 O S,C35 H70 Cl N6 O S,657.5013,14.230971,0.862616983,0.689677293,1.017785389,0.781089628,0.989599166,0.550930363,1.079344395,0.582782663,0.485030441,0.69939935,0.525193147,0.653185707,0.407390805,0.695864256
9342,C48 H66 N7 S,C48 H66 N7 S,772.5106,12.75299,0.972079438,0.882238289,1.082389404,1.004381262,0.898372347,0.875892264,1.06853835,0.458609579,0.479497495,0.433690662,0.468373414,0.417328847,0.497064569,0.43381623
9343,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+0.87199825",484.3507,0.87199825,0.245189221,0.124797409,0.567465836,0.049375224,0.56925256,0.218923914,0.402364415,0.187859852,0.094349626,0.299415912,0.140074064,0.247318254,0.145454885,0.215199897
9344,C40 H76 Cl N13 O3 P,C40 H76 Cl N13 O3 P,852.5639,13.280025,1.106012265,0.989428627,1.245513022,1.133724104,1.032287471,1.105626684,1.119732356,0.559564919,0.551095781,0.569668451,0.577194735,0.516579061,0.593684829,0.537566555
9345,C37 H80 N26 O3 P,C37 H80 N26 O3 P,967.6633,10.125,0.419947217,0.374999438,0.453818548,0.564003333,0.227448134,0.187750276,0.522050732,-0.213909136,-0.16262978,-0.275084508,-0.213824751,-0.23641336,-0.043365344,-0.323865002
9346,C23 H43 N O3 S,N-oleoyl methionine Esi+8.057006,413.298,8.057006,0.570420617,0.577206578,0.518358084,0.72331977,0.267911816,0.894931688,0.27022601,-0.709649616,-0.681625889,-0.74308143,-0.866592886,-0.44642976,-1.010976173,-0.515373282
9347,C10 H21 N,Isopentylideneisopentylamine Esi+6.968995,177.1515,6.968995,1.606348342,1.843555415,1.451842293,1.568863152,1.895508653,1.803544793,1.685459154,-0.752130131,-0.850016974,-0.635352844,-0.726345114,-0.795422012,-0.73750704,-0.761558176
9348,C15 H26 N2 O7,Spenolimycin,346.1749,10.022974,0.248504532,0.064575517,0.52276871,0.061600064,0.533157096,0.094362991,0.539981542,0.16099146,0.060256008,0.281167087,0.094015323,0.327104188,-0.034029999,0.28672898
9349,C15 H26 N6 O5,His Ser Lys Esi+6.875,370.1971,6.875,1.152926265,0.828182433,1.246297133,1.015180461,0.98391535,1.102904383,0.968804541,0.785979624,0.670331234,0.923946124,0.823254136,0.709033221,0.958743149,0.674592614
9350,C48 H92 O2 S5,C48 H92 O2 S5,860.5613,12.554996,1.194566195,1.181779706,1.097895639,1.175843493,1.10906831,1.139026909,1.190819645,0.830919306,0.903615693,0.744193792,0.845348112,0.787504311,0.895983554,0.788969988
9351,C40 H64 O16,Spongipregnoloside D,822.4012,13.373029,0.503755688,0.741026351,0.029774606,0.499374917,0.344749926,0.309822453,0.448673945,-0.269004718,-0.414264524,-0.095712317,-0.307030213,-0.228412748,-0.257277745,-0.276565529
9352,C20 H36 O5,11?-Prostaglandin F1? Esi+11.802984,356.2566,11.802984,0.403900009,0.414999209,0.374173643,0.397495467,0.464142891,0.299688221,0.462575828,-0.271615662,-0.296838322,-0.241525471,-0.16931354,-0.3512579,-0.181151401,-0.329941304
9353,C16 H24 Cl3 N5 O4 P S,C16 H24 Cl3 N5 O4 P S,518.0353,13.895016,0.127324651,0.033958941,0.343212393,0.131009322,0.205723406,0.2111264,0.137879383,0.067804449,0.039922372,0.101067277,0.074630216,0.04587505,0.097004822,0.048977892
9354,C48 H82 O18,Gynosaponin S Esi+11.113019,968.5305,11.113019,1.37719042,1.167705184,1.611693409,1.364294531,1.414200297,1.361307023,1.420713983,0.714667867,0.617477799,0.830613914,0.764740588,0.637638304,0.742711552,0.69658707
9355,C25 H35 Cl2 N6 O6 S3,C25 H35 Cl2 N6 O6 S3,680.1332,12.684011,0.910707311,0.820036827,0.751812513,0.86263334,0.644166138,0.664228001,0.865047333,-0.364275806,-0.357819829,-0.371977674,-0.330469635,-0.43104165,-0.270125773,-0.424977801
9356,C56 H76 N O6 P,C56 H76 N O6 P,889.5446,13.805001,1.312576673,1.335631239,1.23457079,1.309588823,1.365452781,1.23276394,1.400356176,-1.54235941,-1.626572694,-1.441894439,-1.492560042,-1.663483594,-1.3483131,-1.667468214
9357,C24 H30 O7,Armillarilin Esi+12.165022,452.1821,12.165022,1.414935305,1.181513273,1.678594193,1.258446409,1.609697871,1.234678336,1.559897943,1.37912276,1.188969739,1.605971978,1.260524328,1.535968039,1.167287391,1.515700827
9358,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.239012 :1",522.4246,16.239012,1.032224264,1.25050766,0.587342619,1.101217479,0.823801666,0.946715536,0.993330022,-0.653798479,-0.857867481,-0.41034774,-0.65514636,-0.646287267,-0.63932971,-0.663127027
9359,C19 H22 O2,3-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid Esi+15.135987,282.162,15.135987,1.364887221,1.469155387,1.026408599,1.391713817,1.150600519,1.269511041,1.342828259,-0.836519234,-0.927313066,-0.728203784,-0.841259823,-0.841281567,-0.818012935,-0.848450926
9360,C30 H44 N6 O2,U-83836E Esi+12.938981,520.3492,12.938981,0.044004896,0.292126058,0.660633471,0.078474329,0.040942256,0.174467044,0.010530268,0.104075582,-0.143879941,0.399882169,0.144455973,0.030070105,0.181499454,0.054157559
9361,C20 H42 N9 O P,C20 H42 N9 O P,455.3153,9.756998,0.207985012,0.245950039,0.248000745,0.300257787,0.082487423,0.153223438,0.227847601,-0.145796175,-0.094218605,-0.207327311,-0.136918137,-0.18344198,-0.067843321,-0.196055251
9362,C23 H44 N O6,hexadecanedioic acid mono-L-carnitine ester Esi+14.402034,429.3103,14.402034,0.767661517,0.751464591,0.758793787,0.637963813,0.861444596,0.507481601,0.878743175,-0.706977696,-0.732918705,-0.676030527,-0.559196345,-0.936970742,-0.460201713,-0.866083264
9363,C21 H3 O17 P S,C21 H3 O17 P S Esi+11.357982,589.8836,11.357982,1.367218764,1.409563694,1.36445872,1.269156664,1.510755421,1.105569229,1.629070387,1.106618684,1.239375438,0.948242205,1.096031491,1.084619022,1.00906043,1.169518084
9364,C26 H42 N6 O7,C26 H42 N6 O7 Esi+12.323979,550.3118,12.323979,1.664887724,1.775605999,1.330738658,1.8653883,1.322827759,1.671029086,1.548612278,-2.221641396,-2.381937374,-2.030411106,-2.367510275,-2.018348039,-2.289205468,-2.17808035
9365,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+9.81701",356.218,9.81701,0.27784146,0.188068834,0.439836638,0.259869265,0.375837996,0.189665787,0.352504633,-0.125115018,-0.057345573,-0.205962776,-0.070511457,-0.220293664,-0.054197189,-0.170838354
9366,C19 H28 O8,Artesunate,384.1827,8.64298,0.114059164,0.011115374,0.297425669,0.05777402,0.182426621,0.20067937,0.045923624,0.111509432,0.041991419,0.194443201,0.06409364,0.17395154,0.135588329,0.095984879
9367,C29 H63 N10 S3,C29 H63 N10 S3,647.4486,13.611017,1.076848247,1.004032802,1.117796049,1.007236587,1.04045918,1.05964031,1.05948768,1.210629692,1.194376919,1.230018965,1.224970559,1.155942846,1.235744955,1.194436956
9368,C49 H87 N O16,C49 H87 N O16 Esi+14.354003,945.6034,14.354003,1.176812121,1.194607328,0.892198471,1.092967041,1.118752612,0.947802538,1.201554492,-0.896750808,-1.076347283,-0.682495364,-0.824684806,-1.019098927,-0.787201049,-0.967381574
9369,C17 H31 N O4,C17 H31 N O4 Esi+8.104003,313.225,8.104003,0.132421847,0.297384826,0.017888508,0.330593553,0.246443531,0.436010129,0.095516779,-0.088598803,-0.139470141,-0.027910189,-0.203124925,0.117709548,-0.283927587,0.037336861
9370,C13 H2 N O17 P S2,C13 H2 N O17 P S2 Esi+10.094977 :1,538.8488,10.094977,0.750882207,0.856490768,0.589949058,0.596710223,0.795429605,0.79252061,0.673699491,0.358859046,0.424497659,0.280553333,0.32808088,0.393639973,0.426875263,0.315006486
9371,C13 H26,6-Tridecene Esi+9.95298,199.2296,9.95298,0.228286854,0.223138629,0.17524772,0.263358351,0.142600015,0.214500371,0.155438592,-0.101750701,-0.137157554,-0.059510946,-0.113854425,-0.066546155,-0.119473601,-0.090324094
9372,C18 H29 N O2,Penbutolol Esi+8.488013,291.218,8.488013,1.076585223,1.204401121,1.049531054,1.10745075,1.166331825,1.215359305,0.999623375,-0.812741665,-0.900575714,-0.707957185,-0.864020009,-0.763837998,-0.912585013,-0.74836898
9373,C17 H34 N O4,O-decanoyl-R-carnitine Esi+5.318982,315.2403,5.318982,0.690301201,0.724715328,0.449814223,0.483582882,0.864731179,0.490431504,0.692271714,-0.592605664,-0.629110294,-0.549056281,-0.447035595,-0.789645448,-0.391245043,-0.722430275
9374,C10 H23 Cl N7 O4,C10 H23 Cl N7 O4,340.1507,7.907991,1.930403386,1.685462565,1.975873996,1.678322855,2.07041316,1.547389662,2.051117214,3.427184308,3.10472234,3.811875778,3.107742828,3.850116282,2.906808386,3.762689836
9375,C22 H42 O7,Palmitoyl glucuronide Esi+10.587983,418.2941,10.587983,0.795353887,0.780432923,0.860465985,0.991706978,0.650534648,0.742295742,0.813756195,-0.498890011,-0.346146429,-0.681110425,-0.525802348,-0.489023277,-0.38121589,-0.574758853
9376,C4 H4 Cl N O S,C4 H4 Cl N O S,148.97,4.3740063,1.82097885,1.936714196,1.63424453,1.858220172,1.794749666,2.034914873,1.703154786,-1.069673157,-1.171743919,-0.947904529,-1.092549769,-1.028280167,-1.183849727,-0.996059316
9377,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+11.782977,452.1613,11.782977,0.265650365,0.208646229,0.490195081,0.495898327,0.126352287,0.300727585,0.360253937,0.110322146,0.070092265,0.158315688,0.136516484,0.066016284,0.069238857,0.136810056
9378,C30 H33 N7 O P,C30 H33 N7 O P,538.2486,14.6509495,0.6782291,0.494160176,0.960375747,0.574750231,0.917119597,0.49283901,0.888832412,0.579379573,0.349649294,0.853443765,0.363643538,0.841252142,0.360834146,0.720283861
9379,C52 H87 N O6 P S3,C52 H87 N O6 P S3,948.5427,15.649977,0.783450967,0.757932013,0.631735331,0.809032314,0.590828224,0.8806094,0.616857047,0.711187454,0.785027431,0.623097655,0.808456633,0.571839821,0.905835874,0.585690446
9380,C47 H80 O17,Gynosaponin I Esi+13.875981,938.5209,13.875981,0.101474749,0.137287947,0.041278072,0.114976949,0.102710402,0.008492483,0.129096185,0.080495925,-0.005834725,0.183486876,0.142433442,-0.045193773,0.149691673,0.035882877
9381,C14 H24 O4,Monomenthyl succinate Esi+8.681999,256.1671,8.681999,0.451725214,0.296219705,0.425360283,0.409127256,0.28479187,0.419628359,0.343485559,0.273055194,0.219381971,0.337086408,0.3026742,0.227207378,0.302254236,0.254229496
9382,C37 H80 N24 O5 S,C37 H80 N24 O5 S,972.6456,12.810038,0.920332098,0.831913704,0.965803762,0.824689038,0.912042905,0.975875628,0.849427775,0.656713096,0.649980464,0.664745008,0.65792107,0.628588519,0.778762761,0.578023181
9383,C26 H52 N7 O2,C26 H52 N7 O2,494.4186,12.35101,1.436437605,1.60566065,1.111127013,1.347868456,1.514773798,1.568930925,1.387735668,-0.747977035,-0.910596246,-0.553975169,-0.758597713,-0.729359009,-0.830912081,-0.694505755
9384,C23 H28 N4 O6,Tyr Phe Gln Esi+8.0030155,456.1974,8.0030155,0.548421477,0.309093329,0.58995516,0.282331796,0.645838554,0.118521313,0.675091979,0.549355179,0.362891714,0.771802821,0.316289924,0.843412306,0.202156087,0.773207225
9385,C43 H77 N O8 P,"PC(20:4(5Z,8Z,11Z,14Z)/15:1(9Z))",765.5208,13.499019,0.440620709,0.459706427,0.353114172,0.304509963,0.527465039,0.37499008,0.38462013,-0.146999606,-0.221438818,-0.058194932,-0.083575256,-0.240416249,-0.129913138,-0.158015882
9386,C40 H75 N20 O3 P,C40 H75 N20 O3 P,914.6031,12.385009,0.743188066,0.590046761,0.807958413,0.752052152,0.609642581,0.744749819,0.660393656,0.962315108,0.91490608,1.018873248,1.085453383,0.757204716,1.126165,0.856675047
9387,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+15.597962",548.4416,15.597962,0.490952318,0.730586991,0.009191718,0.41646314,0.425423132,0.519260438,0.322142626,-0.399465981,-0.661908969,-0.0863761,-0.29069409,-0.557068002,-0.489410336,-0.341475541
9388,C12 H20 O6,Glycerol tripropanoate Esi+5.489011,282.1079,5.489011,0.692993093,0.78401493,0.409677306,0.636092127,0.700006997,0.440638735,0.812780761,-0.280771303,-0.304601954,-0.252341756,-0.211748063,-0.379724553,-0.130897943,-0.37740018
9389,C18 H34 N7 O,C18 H34 N7 O Esi+11.490983,364.2817,11.490983,0.332596431,0.307731152,0.32238497,0.157833121,0.521987093,0.364635777,0.312145192,-0.266007635,-0.219875119,-0.321042917,-0.173460708,-0.410051345,-0.261488009,-0.268921604
9390,C10 H20 O7,"2,3-Butanediol glucoside Esi+3.8939943",252.1198,3.8939943,0.199441472,0.157830019,0.149710907,0.302120113,0.012124348,0.291660311,0.082836511,0.174135941,0.198196191,0.145432486,0.276411008,0.042833257,0.254567676,0.122278638
9391,C21 H41 Cl2 N4 O6 P,C21 H41 Cl2 N4 O6 P,546.2147,7.2259965,1.659262932,1.835509179,1.442854105,1.644709997,1.678534891,1.782052916,1.612293828,1.636224125,1.765551334,1.481939034,1.67445807,1.571069042,1.707850415,1.590044018
9392,C20 H40 N2 O8,Pangamic acid,436.2793,14.270997,0.484082439,0.550242053,0.309151418,0.460276671,0.432558298,0.529244887,0.379867683,-0.507264002,-0.564262208,-0.439266142,-0.45987102,-0.630355918,-0.646657184,-0.417392081
9393,C46 H94 N5,C46 H94 N5 Esi+6.297986,716.7521,6.297986,1.946256107,1.862025635,1.86354136,1.830509673,1.990926926,1.804615918,1.952318055,1.747855031,1.879512371,1.590790135,1.651602389,1.866503617,1.787434887,1.72233644
9394,C24 H43 N17 O17 P,C24 H43 N17 O17 P,872.2756,6.349988,1.880446508,1.767154874,1.654687045,1.776025373,1.735085819,1.513025774,1.892730514,-1.58341193,-1.61872818,-1.541280264,-1.494424411,-1.695942969,-1.447335354,-1.671145512
9395,C16 H31 N O4,C16 H31 N O4,301.2249,8.166014,0.83769884,0.78817728,0.73992208,0.761064328,0.828269693,0.620139969,0.871805931,0.568184704,0.665888115,0.451626248,0.531389874,0.610041392,0.509554865,0.605985521
9396,C14 H24 O4,Monomenthyl succinate Esi+10.484987,256.1672,10.484987,1.371547471,1.361125118,1.262085328,1.320328865,1.422515862,1.276317627,1.39754259,1.261546956,1.245129956,1.281132149,1.195603309,1.353591503,1.263431618,1.260331845
9397,C40 H75 N25 O,C40 H75 N25 O,921.6553,14.236023,0.931874254,1.017684334,0.542568701,0.774570272,0.84064529,0.878765719,0.815462848,-0.579573091,-0.736413035,-0.392465789,-0.431223752,-0.798688872,-0.499916059,-0.630930914
9398,C23 H38 N4 O8 S,C23 H38 N4 O8 S,530.2419,7.1199956,0.445240069,0.402084657,0.402313915,0.443904149,0.279283277,0.431928878,0.409648003,0.374742454,0.407490171,0.335675003,0.456804749,0.232604882,0.442460053,0.331082424
9399,C13 H24 N7 O,C13 H24 N7 O Esi+6.0400057 :1,294.2042,6.0400057,0.38183298,0.14706552,0.724650111,0.243477441,0.600445032,0.279947263,0.475339728,-0.222419429,-0.088894181,-0.381712707,-0.147018166,-0.344129856,-0.125187785,-0.285108252
9400,<none>,<none> Esi+13.414006 :2,542.7138,13.414006,0.337214522,0.183980887,0.657831634,0.286431509,0.509260782,0.395371869,0.378526077,0.160968084,0.117559821,0.21275338,0.156514355,0.15567379,0.184088521,0.146061486
9401,C36 H69 N O8 P,PC(14:1(9Z)/14:1(9Z)) Esi+15.197017,673.4762,15.197017,0.147944509,0.287558329,0.187655659,0.099787747,0.129136103,0.056229878,0.079412208,-0.091202812,-0.229126879,0.07333818,-0.055061541,-0.144986268,-0.067975205,-0.106178507
9402,C34 H50 O6,"(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate Esi+13.044986",554.3678,13.044986,1.192116546,1.110704415,1.21516865,1.058586293,1.279855967,1.115960163,1.193852503,1.260459414,1.284282176,1.232039277,1.166172205,1.361384621,1.324512363,1.219162118
9403,C27 H45 O8 P,2-deoxyecdysone 22-phosphate,545.3136,12.94098,1.154577351,0.882450393,1.573957547,1.202520333,1.21680444,0.893552161,1.350665691,0.57253104,0.435797637,0.735651591,0.571867773,0.591626918,0.421441222,0.669944212
9404,C25 H36 O9,8-Hexanoylneosolaniol Esi+8.741974 :1,480.2346,8.741974,0.492395531,0.547901411,0.321371576,0.561808474,0.378911521,0.755737711,0.359009158,0.519046117,0.587698011,0.437145611,0.616373049,0.350028846,0.760543107,0.36334411
9405,C43 H73 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) Esi+7.8869944",779.4874,7.8869944,0.816930048,0.6779493,0.967801704,0.907245104,0.689501104,0.696640065,0.86292512,-0.51090116,-0.374677261,-0.673413881,-0.522021373,-0.512025531,-0.415712318,-0.572272912
9406,C12 H22 N2,3-Nonyl-1H-pyrazole,194.1781,7.510008,1.681363545,1.832403848,1.818788179,1.681106589,2.052334788,1.940065199,1.764865381,-1.049625916,-1.119712034,-0.966014405,-1.015609846,-1.116987824,-1.049929194,-1.049430381
9407,C37 H56 O9,O-Methylganoderic acid O,644.3936,11.072017,0.245296565,0.513141815,0.340762969,0.247964441,0.1252734,0.355645748,0.094642415,-0.099024228,-0.244942058,0.075053183,-0.10281591,-0.086979078,-0.175249048,-0.049879278
9408,C25 H27 N10 O3 P,C25 H27 N10 O3 P,546.2007,14.927982,0.848890133,1.124465276,0.342063452,1.015930393,0.502439917,0.967882069,0.701286272,-1.001104676,-1.340184571,-0.59658831,-1.132843174,-0.814026701,-1.212883981,-0.864562756
9409,C30 H40 S,C30 H40 S,432.2847,13.996021,0.391764508,0.497273292,0.099834764,0.177026371,0.532875961,0.38802431,0.282470844,-0.085035459,-0.155149903,-0.001390157,0.044596231,-0.26559388,-0.098655242,-0.076254283
9410,C38 H48 N4 O2,Santiaguine Esi+9.097009,592.3788,9.097009,0.189939267,0.381963809,0.139429627,0.32197526,0.078164516,0.541407151,0.043407926,0.135901279,0.335062446,-0.101694498,0.265935072,-0.072939193,0.45975839,-0.072901331
9411,C16 H24 O2,"4,7,10,13-Hexadecatetraenoic acid",248.1771,12.67302,0.424119631,0.726415207,0.001427621,0.396324611,0.329956934,0.466729236,0.321840468,-0.11044456,-0.23194084,0.034498372,-0.086991829,-0.133185254,-0.136863064,-0.093411577
9412,C28 H52 O4,2-Hydroxy-24-keto-octacosanolide Esi+16.56201,452.3863,16.56201,0.968043079,0.804305902,1.045900151,0.975599864,0.87070727,0.886594712,0.916479252,-0.924928031,-0.919012091,-0.931985644,-0.986681222,-0.862724579,-0.947100237,-0.910632793
9413,C33 H56 O10,"Cholestane-3,7,12,25-tetrol-3-glucuronide Esi+7.1989827",317.1839,7.1989827,1.757283298,1.855716994,1.453395947,1.75457101,1.630751704,1.727583003,1.68752188,-0.786609066,-0.879379104,-0.675936038,-0.810704401,-0.764428158,-0.822039642,-0.763765668
9414,C17 H34 O,3-Ethylpentadecan-2-one Esi+10.881016,271.2872,10.881016,0.871914995,1.139422306,0.461952917,0.943705574,0.671841435,0.948278478,0.737548766,-0.270982108,-0.348719552,-0.1782427,-0.281706314,-0.249786389,-0.311647529,-0.244763612
9415,C28 H55 N O4 S,(Z)-2-Hexacos-17-enamidoethanesulfonic acid Esi+15.322999,250.1932,15.322999,1.606749287,1.692785221,1.442030159,1.53481595,1.570332874,1.673378676,1.509550094,-1.74403853,-1.941469543,-1.508506795,-1.715022291,-1.793933588,-1.667823572,-1.793177121
9416,C33 H54 N6 O11,C33 H54 N6 O11 Esi+12.843995,710.3854,12.843995,0.112243593,0.135540689,0.003370021,0.055676653,0.156323986,0.085568604,0.058266523,-0.008503366,-0.025781593,0.012109257,0.123604577,-0.189255405,-0.023043774,0.000871371
9417,C27 H51 O12 P,PI(18:1(9Z)/0:0) Esi+12.428978 :1,598.3118,12.428978,2.63066103,2.527719091,2.766610626,2.681395888,2.717251009,2.532955327,2.730572551,3.756022141,3.606089853,3.934888731,3.573562916,4.010192053,3.51896944,3.908858751
9418,C35 H20 N11 O5 P,C35 H20 N11 O5 P Esi+9.968013,705.1379,9.968013,0.006212202,0.280087591,0.39282838,0.102746014,0.022124198,0.003389147,0.016069836,0.092748404,-0.083496626,0.303005633,0.173641137,-0.023555653,0.090106175,0.094451947
9419,C34 H59 N O13,Fumonisin B4,706.4273,13.885009,1.013916853,0.840113283,1.267923313,1.025478419,1.011998757,1.127936655,0.936323138,0.760239229,0.636105263,0.908328872,0.786994068,0.701191262,0.801414784,0.733691832
9420,C21 H47 N O6 P,PC(O-12:0/O-1:0),462.2951,15.087965,0.51286771,0.623582636,0.33427684,0.56413062,0.344463671,0.85083403,0.305445019,0.477278415,0.689799392,0.223744619,0.617533862,0.271359791,0.849990875,0.236976961
9421,C25 H42 N10 O,C25 H42 N10 O Esi+14.559016,498.3522,14.559016,0.387987743,0.333974546,0.439815637,0.404904716,0.36739224,0.424453041,0.379117022,0.372228811,0.31669765,0.438476511,0.393879103,0.356427413,0.391262605,0.359957022
9422,C13 H24 N10,C13 H24 N10,320.2069,8.813991,0.26512219,0.191157457,0.29421838,0.226791144,0.228855258,0.487784631,0.059550773,-0.448134735,-0.301867595,-0.622628868,-0.443488465,-0.472310784,-0.500758004,-0.414206576
9423,C20 H30 N6 O7,Tyr Glu Arg,466.2182,8.333007,0.135572838,0.026419988,0.391707832,0.158560809,0.128913376,0.005018611,0.208114279,-0.140357223,0.033806798,-0.348131843,-0.157308149,-0.133958575,0.001488638,-0.231810475
9424,C16 H29 N7 O4,C16 H29 N7 O4,383.2099,6.1610084,0.169344874,0.216678888,0.408538243,0.172235272,0.391932478,0.164987493,0.227284473,0.137076209,-0.071735424,0.386184824,-0.054251903,0.380360319,-0.016903691,0.236352724
9425,<none>,<none> Esi+10.968013,514.7932,10.968013,1.406178859,1.186807909,1.71042917,1.351629942,1.564575126,1.206185803,1.598741489,0.703412326,0.606609934,0.818895882,0.70859901,0.700459195,0.629277257,0.751209937
9426,C32 H63 N2 O7 P,"PE-Cer(d14:2(4E,6E)/16:0(2OH)) Esi+8.505001",618.4351,8.505001,0.877631812,0.879529425,0.842084173,1.098152761,0.555930199,1.0408632,0.690183819,-0.511484351,-0.473995012,-0.556208474,-0.576181626,-0.438263998,-0.496113255,-0.521394663
9427,C18 H24 N6 O,C18 H24 N6 O,340.2032,10.604003,1.315154501,1.21868317,1.369859885,1.411441278,1.2431299,1.295722325,1.309255573,-1.226313223,-1.164859204,-1.299626791,-1.174641348,-1.328455419,-1.073867281,-1.324600739
9428,C16 H24 N7,C16 H24 N7,314.2054,11.876974,0.959674568,1.001524655,0.928201942,1.086306836,0.829837054,0.966193492,0.931474151,0.401126192,0.423514393,0.374417462,0.453394293,0.32368318,0.416870471,0.390975275
9429,C18 H30 O2,"7Z,9Z,12Z-octadecatrienoic acid Esi+16.017036",278.2241,16.017036,0.873387049,0.761833047,0.88702478,0.838433603,0.722530665,0.776238738,0.838846498,-0.670349754,-0.717991739,-0.613513701,-0.758083922,-0.537451699,-0.756983081,-0.614494056
9430,C13 N O21 P,C13 N O21 P Esi+14.079032,536.8703,14.079032,1.166215799,1.317643788,1.125520266,1.250270142,1.192105006,1.481286147,1.107306406,0.723447627,0.771416963,0.666221051,0.731248139,0.727404477,0.807915391,0.668988148
9431,C30 H64 Cl N11 O S2,C30 H64 Cl N11 O S2,693.4421,9.944986,0.14817855,0.043686387,0.375259308,0.156828762,0.173299564,0.093161364,0.208318277,0.091689652,0.062347925,0.126693818,0.114793201,0.054438434,0.104369654,0.083514388
9432,C29 H36 O8,Bisphenol A glycidylmethacrylate Esi+10.874017,512.2398,10.874017,1.750796344,1.666676141,1.768420458,1.744330174,1.658213106,1.749583773,1.694973228,2.280009356,2.188190466,2.38954768,2.364717001,2.135690958,2.384742658,2.212483938
9433,C24 H32 N4 O4,Phe Phe Lys Esi+8.735986,440.2382,8.735986,0.979511522,1.011983762,0.815417613,0.923074745,0.963641075,1.052089167,0.920068195,1.284565416,1.400412529,1.146361843,1.297141495,1.272154764,1.494743701,1.149055732
9434,C10 H21 N12,C10 H21 N12 Esi+6.9339886,309.2022,6.9339886,0.8826989,0.901137388,0.718443963,0.774560593,0.977301908,0.612234181,1.071986197,0.792948427,0.934388025,0.624213469,0.770617653,0.821584773,0.707621512,0.847961833
9435,C13 H18,"1,2,3,4,tetrahydro-1,5,7-trimethylnapthalene Esi+6.8769884",191.167,6.8769884,1.441735569,1.634688435,1.250584954,1.410062252,1.649824755,1.692387874,1.39560752,-0.707026638,-0.805883771,-0.589091812,-0.704105214,-0.714841443,-0.754641396,-0.676327649
9436,C25 H48 N O7 P,"PE(20:2(11Z,14Z)/0:0)",504.307,8.724984,0.198614197,0.500310355,0.290303108,0.406655234,0.250347884,0.506910262,0.080725889,-0.085956413,-0.209220121,0.061095029,-0.205156985,0.081214197,-0.237373165,0.011667547
9437,C28 H48 O4,6-Deoxodolichosterone Esi+15.450981,448.3558,15.450981,1.418727864,1.552791214,0.957718953,1.436675901,1.195214186,1.347471995,1.301033633,-0.775358871,-0.993013806,-0.515700352,-0.792434227,-0.7532662,-0.832269469,-0.738666512
9438,C28 H46 O3,"(24R)-1?,25-dihydroxy-24-methylvitamin D3 /(24R)-1?,25-dihydroxy-24-methylcholecalciferol Esi+14.888981",430.3414,14.888981,0.206098007,0.273007947,0.090845342,0.072291045,0.345434637,0.117249168,0.233547924,0.16640237,0.182331405,0.147399311,0.038698158,0.320391113,0.045997732,0.244031677
9439,C50 H96 N2 O5 P S3,C50 H96 N2 O5 P S3,931.623,14.764972,1.404105596,1.366146305,1.235704992,1.448022833,1.199770984,1.275290064,1.374910963,-1.082374148,-1.139118062,-1.014679654,-1.029406079,-1.152272957,-1.003482766,-1.133238328
9440,C18 H16 O3,Asparenyol,280.1075,0.88000125,0.218076633,0.112270707,0.331482985,0.003490628,0.3686948,0.032710122,0.385818621,0.23678467,0.189823062,0.292809044,0.164126252,0.328016075,0.080380312,0.337624322
9441,C13 H30 N14 O,C13 H30 N14 O,398.2637,13.3200035,1.465830731,1.561048644,1.228355508,1.263175467,1.497621596,1.364437719,1.444835112,-0.61808768,-0.681186212,-0.542812237,-0.620833821,-0.615950859,-0.667224791,-0.586407173
9442,C17 H34 N6 O4,Arg Ile Val,386.2631,11.490984,0.366879959,0.303953827,0.459245133,0.551354059,0.129366352,0.379411782,0.371551035,0.1773964,0.147364995,0.213223338,0.256333648,0.054204976,0.188408955,0.170296199
9443,C44 H78 N O8 P,"PE(17:1(9Z)/22:4(7Z,10Z,13Z,16Z))",801.5288,13.085996,1.385951478,1.306650208,1.510828205,1.395479604,1.390694732,1.374331514,1.433829839,0.683515819,0.715398307,0.645480569,0.699138626,0.643557727,0.704306491,0.670111307
9444,C43 H79 N O9,Cerebroside C,775.5605,13.758038,0.015966157,0.160330479,0.264444319,0.047613817,0.051802937,0.03531357,0.017990852,0.024475799,-0.078485458,0.147306773,0.049599865,-0.013642211,0.038841008,0.01521402
9445,C14 H20 O4,QH(2) Esi+8.453986,252.1338,8.453986,0.268795826,0.124117732,0.346176018,0.137120655,0.318783897,0.207377917,0.312732544,0.182147506,0.130815306,0.243385919,0.105188783,0.283341768,0.148399264,0.203906241
9446,C23 H6 Cl2 O15 P,C23 H6 Cl2 O15 P,622.8812,11.077971,0.571090432,0.849120531,0.064263663,0.61568048,0.433471008,0.636520539,0.466518854,-0.209667886,-0.362736399,-0.027059836,-0.222311567,-0.190616594,-0.25962335,-0.177459759
9447,C35 H54 O6,Hericenone F Esi+14.551021,570.3874,14.551021,0.381525049,0.107712093,0.632022222,0.539559523,0.190943724,0.513807614,0.263793219,0.782315952,0.380710883,1.261423753,0.971276915,0.50772244,0.910393995,0.699739319
9448,C21 H44 O4,C21 H44 O4 Esi+15.5459585,360.3235,15.5459585,0.516684086,0.539837649,0.390467722,0.48986527,0.486672173,0.570667857,0.385014426,-0.315694332,-0.366455771,-0.255136825,-0.25946888,-0.430356981,-0.386920911,-0.269771932
9449,C24 H48,1-Tetracosene,358.3555,7.829985,0.475684388,0.245171977,0.825041519,0.44587262,0.584530477,0.139858244,0.69313404,0.230118335,0.138616078,0.339278922,0.164302632,0.312155785,0.081281107,0.32607918
9450,C32 H73 N29 O4 P,C32 H73 N29 O4 P,958.6239,14.742978,0.490878725,0.456423496,0.375880877,0.350603933,0.555242498,0.463330255,0.434351888,0.425597218,0.494033649,0.343953757,0.415462584,0.426749546,0.523297462,0.362606272
9451,C13 H24 O4,"(?)-1,4-Nonanediol diacetate",244.1665,10.874017,0.465265975,0.46474188,0.392783001,0.486025561,0.378703084,0.47142106,0.46667136,0.350263957,0.366790685,0.33054786,0.421026185,0.264339594,0.381558903,0.330086952
9452,C11 H21 O7 P,DHAP(8:0),296.1029,6.9830046,0.053165393,0.266727292,0.240269399,0.245277273,0.142847345,0.248915462,0.103384446,-0.0297325,-0.166858613,0.133856547,-0.13577807,0.114393998,-0.198038559,0.078780617
9453,C39 H62 O5,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0) Esi+14.76903",627.4921,14.76903,0.97625911,0.937904609,0.979771527,0.965280137,0.970734616,0.979105247,0.987167189,0.747906054,0.698837076,0.806444485,0.740516813,0.740707735,0.714478861,0.769457797
9454,C38 H72 Cl3 N4 O2,C38 H72 Cl3 N4 O2,721.4733,12.499019,1.516583557,1.546741345,1.282969848,1.538700227,1.313011825,1.438365048,1.502409824,1.199123921,1.349005904,1.020317345,1.282072855,1.043189354,1.275995027,1.149562287
9455,C28 H44 N11 O,C28 H44 N11 O,550.3752,13.764972,0.441979126,0.854035043,0.320838381,0.35011348,0.301588134,0.627042263,0.248841289,-0.221953113,-0.551201236,0.170834122,-0.214645568,-0.187642564,-0.396023883,-0.109723274
9456,C18 H30 O8,6-Epi-7-isocucurbic acid glucoside Esi+8.897979,374.1939,8.897979,0.289774017,0.217341037,0.352267253,0.128922928,0.501803631,0.185878289,0.535841862,-0.263008694,-0.203494689,-0.334007857,-0.048061121,-0.596695836,0.21675835,-0.572332182
9457,C35 H71 N O3,Cer(d18:0/17:0) Esi+14.718013,553.5427,14.718013,0.103153254,0.079926872,0.151809606,0.189556304,0.066808041,0.123338707,0.092796989,-0.159161239,-0.221319042,-0.085008071,-0.193285912,-0.124632137,-0.172676305,-0.150447579
9458,C14 H22 O4,(-)-trans-C75 Esi+4.664996,271.1776,4.664996,1.745529895,1.82061534,1.811318799,1.728621467,2.016898531,1.844441443,1.834474949,1.474540012,1.366788253,1.603085969,1.403116094,1.589284356,1.452924834,1.488476113
9459,C60 H92 Cl O3 S2,C60 H92 Cl O3 S2,957.6031,14.481991,1.54131982,1.642163138,1.26443759,1.498096904,1.482852497,1.31183938,1.608658776,-1.218309198,-1.355675522,-1.054433584,-1.140257238,-1.336047572,-1.05616732,-1.322848041
9460,C33 H58 O10,Antibiotic X 14889C Esi+13.565979,636.3841,13.565979,0.139169255,0.008493573,0.340429925,0.172789204,0.075832686,0.206663203,0.103422093,0.29610455,0.11194312,0.515805904,0.350753562,0.211729573,0.316436838,0.282995574
9461,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+15.239013",462.3683,15.239013,0.868789866,0.967371452,0.688992809,0.792571842,0.868632493,0.77604191,0.825530974,-0.479835186,-0.598294146,-0.338515724,-0.417896271,-0.580226773,-0.445507198,-0.501967704
9462,C42 H77 O8 P,"PA(22:1(11Z)/17:2(9Z,12Z)) Esi+11.607997",762.519,11.607997,0.575759479,0.443034303,0.521941749,0.621720957,0.408859465,0.42989444,0.547653473,-0.85467057,-0.811347352,-0.906354409,-0.833004659,-0.920904585,-0.609646002,-1.012646936
9463,C29 H48 O7,"3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid Esi+15.798034",508.3443,15.798034,1.211702509,1.405162858,0.828298953,1.28825464,1.250389715,1.403615365,1.121870521,-0.727890928,-0.939663283,-0.475250224,-0.734963437,-0.738675075,-0.833706504,-0.659667728
9464,C10 H16 O3,Ascariadole epoxide Esi+5.495983 :1,184.1112,5.495983,1.381695938,1.321817744,1.392171038,1.30354507,1.385150263,1.271542937,1.438101628,0.755066965,0.721413668,0.795214759,0.740978116,0.774758746,0.765160612,0.74855922
9465,C30 H32 O17 P S3,C30 H32 O17 P S3,791.0536,13.83904,0.354920202,0.427641249,0.026128402,0.451995438,0.074296228,0.236019781,0.24329076,-0.121946648,-0.183628589,-0.048361174,-0.115549048,-0.14733504,-0.061755098,-0.160754358
9466,<none>,<none> Esi+12.218995,704.8113,12.218995,0.566604015,0.387733707,0.657192998,0.638401006,0.352946176,0.304945317,0.637665895,-0.231730125,-0.168102283,-0.307637025,-0.233109466,-0.244040714,-0.089322429,-0.323545613
9467,C25 H52 N O6 P,PE(P-20:0/0:0) Esi+10.157988,492.3429,10.157988,1.07318344,1.135351805,0.873281378,0.946149288,1.096414171,0.954976454,1.088810366,1.949614738,2.138068409,1.724792814,1.693152328,2.302136526,1.859023543,2.008022219
9468,C16 H23 N5 O,Tegaserod Esi+5.112,301.1885,5.112,1.296082951,1.283332343,1.168698595,0.957896702,1.473671099,0.855200931,1.460286691,1.494284881,1.598120061,1.370411332,1.320941775,1.703102947,1.172360885,1.701841141
9469,C32 H48 O5,Ganoderic acid X Esi+8.416014 :1,529.3826,8.416014,0.811651898,0.764270198,0.877623968,0.888522662,0.661066724,0.786128065,0.695881952,-0.496771761,-0.414542278,-0.594870092,-0.518216752,-0.476827892,-0.437605623,-0.53491835
9470,C34 H52 O8,25-Hydroxyvitamin D2 25-(beta-glucuronide) Esi+6.6639776 :1,610.3535,6.6639776,0.620405414,0.879535269,0.190089756,0.655269554,0.394784527,0.882597244,0.380313215,0.238150813,0.403570929,0.040807515,0.293647958,0.139963342,0.424287227,0.118141808
9471,C16 H27 N8,C16 H27 N8 Esi+6.5109887,331.2351,6.5109887,0.228146745,0.262418297,0.147214756,0.07318874,0.40777833,0.113547442,0.315836627,0.145185634,0.229958671,0.044052888,0.121222115,0.195093038,0.147281603,0.143834285
9472,C19 H39 N O,Palmitoyl N-Isopropylamide Esi+13.183995,297.3027,13.183995,2.215813302,2.162307921,1.958946346,2.105139927,2.139237911,2.136369521,2.075064254,-1.487172685,-1.542262249,-1.421451803,-1.471992784,-1.503334499,-1.529496657,-1.459884861
9473,C22 H27 F3 O4 S,Fluticasone Esi+9.881999,466.1394,9.881999,0.016469,0.039792061,0.223977497,0.206609628,0.070712422,0.004932993,0.111027191,0.027037725,0.023104851,0.031729574,0.055035825,-0.030879561,-0.008654979,0.050050126
9474,C29 H34 N4,Ochrolifuanine A Esi+7.452018,455.3086,7.452018,0.285569676,0.076452344,0.81877608,0.198864941,0.351664232,0.431495408,0.180149449,0.201751778,-0.017884939,0.463774527,0.160372686,0.221482586,0.284325979,0.148513148
9475,C14 H24 O5,C14 H24 O5 Esi+7.3170104,272.1478,7.3170104,0.383747578,0.242178277,0.389072092,0.166705151,0.476166627,0.418034566,0.272671016,0.194908252,0.197083928,0.192312708,0.108285596,0.301942303,0.306506274,0.122956895
9476,C24 H49 N O6 P,"PC(O-16:2(9E,10E)/0:0)[U] Esi+9.134012 :1",478.3296,9.134012,0.782388453,0.834395712,0.764527954,0.999218697,0.49167085,1.074838457,0.60815027,-0.822862517,-0.781769239,-0.871886077,-1.047598216,-0.533024056,-0.965765518,-0.730727688
9477,C37 H60 O12,Glucosyl passiflorate Esi+13.517027,718.3895,13.517027,0.079194244,0.212174963,0.173841326,0.038635569,0.122651903,0.079913843,0.147286721,-0.011618676,-0.172953553,0.180851001,0.062845414,-0.124997152,0.04724128,-0.049567858
9478,C18 H35 N O2,(Z)-2-amino-1-hydroxyoctadec-4-en-3-one,297.2668,10.387969,1.877399889,1.768131438,1.775715331,1.897066221,1.723774818,1.648977135,1.886451564,-1.29113814,-1.351496207,-1.219132026,-1.330825887,-1.244736078,-1.325424795,-1.269032271
9479,C21 H21 O12,Myrtillin,464.0907,2.6700013,1.326719201,1.333891572,1.222337922,1.089632793,1.420272397,1.277921537,1.296883762,-0.768657358,-0.758662945,-0.780580518,-0.713294016,-0.836448039,-0.798910941,-0.749151759
9480,C18 H43 N15 O7,C18 H43 N15 O7,581.3456,6.928984,0.852071969,0.933337651,0.579951589,0.629942368,0.815387908,0.82253153,0.746739485,0.313200676,0.369676562,0.245825934,0.275420006,0.348775194,0.360502765,0.282703276
9481,C26 H41 N O7,Delcorine,479.2878,11.149987,0.461174817,0.825481852,0.437968298,0.532445315,0.200326824,0.506092854,0.352176855,-0.111553437,-0.298002337,0.11087683,-0.140899448,-0.070608079,-0.160201452,-0.080188269
9482,C18 H15 N2 O10,Muscapurpurin Esi+5.1430035,418.0673,5.1430035,0.996223655,1.008118529,0.793129369,1.131624878,0.726808208,0.974868712,0.913956811,-0.71452343,-0.711928547,-0.71761908,-0.696153873,-0.751727278,-0.656644272,-0.751840256
9483,C24 H27 N13 O20 P S,C24 H27 N13 O20 P S,880.0956,12.491963,0.238070967,0.234146622,0.12721581,0.212696542,0.139665308,0.022006335,0.314897222,-0.057875471,-0.063989523,-0.050581515,-0.017918984,-0.136907352,0.048183421,-0.126255547
9484,C22 H2 O19 P S,C22 H2 O19 P S,632.8644,12.852032,0.305702909,0.023338926,0.84103039,0.469609395,0.25082295,0.094827044,0.489116274,0.26766914,0.041932688,0.536968766,0.335700274,0.198520663,0.071698755,0.394018467
9485,C17 H32 O2,C17:1n-15,268.2399,13.167984,1.797507024,1.751848432,1.934347558,1.78634997,1.89095926,1.852851751,1.837932709,-1.291557027,-1.284720655,-1.299712698,-1.282549772,-1.278814481,-1.395721826,-1.224398143
9486,C28 H50 O10,3-O-Mycarosylerythronolide B Esi+11.072017,568.3229,11.072017,1.231395575,1.175480378,1.467778235,1.224977739,1.40740315,1.31568412,1.365187891,1.532359384,1.420846599,1.665392181,1.537044975,1.497695495,1.649463673,1.456857935
9487,C11 H23 N3 O2,"n1,n8-diacetylspermidine Esi+8.985993",246.2092,8.985993,0.418598058,0.370955638,0.379589315,0.365077112,0.393244625,0.359492371,0.364508538,-0.178164255,-0.187547815,-0.166969832,-0.173999044,-0.199074081,-0.194039904,-0.167928639
9488,C30 H63 N O10 P,C30 H63 N O10 P,628.4289,14.767998,0.426955468,0.40746265,0.433862717,0.414169709,0.475472284,0.580789001,0.338227876,0.553174462,0.49316158,0.624768777,0.538035441,0.559347596,0.632125498,0.50227182
9489,C14 H25 N7 O3 P,C14 H25 N7 O3 P,368.1856,9.215977,2.148037148,1.986451302,2.284374103,2.043370156,2.28038587,2.036159144,2.208906539,2.427417896,2.155186928,2.752184663,2.277003955,2.630089291,2.25348568,2.539558403
9490,C27 H58 N9 O S,C27 H58 N9 O S,555.4353,15.052001,1.836004414,1.98006026,1.597540797,1.798944125,1.838906583,1.869829442,1.774755771,-1.57176512,-1.808437204,-1.289419477,-1.504193657,-1.663780742,-1.64378731,-1.525329761
9491,C28 H46 O4,C28 H46 O4,446.3382,14.208007,1.774089316,1.8342957,1.507343043,1.670112023,1.688404257,1.754865651,1.67295856,-1.177629195,-1.351101146,-0.970680202,-1.13974955,-1.224456482,-1.2342751,-1.141107494
9492,C22 H46 N2 O,C22 H46 N2 O,353.3671,12.858966,0.951483311,1.195381427,0.707011668,0.980972623,0.91934152,1.241460437,0.802516397,-0.278473791,-0.372925838,-0.165794155,-0.267680999,-0.274218284,-0.386685532,-0.208705695
9493,C7 H16 O4,Poloxalene Esi+3.5919945,164.1048,3.5919945,0.981101858,0.926153521,0.948673491,0.71389555,1.121163766,0.754471487,1.03927912,0.264309866,0.258259359,0.271528014,0.220440208,0.324333818,0.254952736,0.270342752
9494,C36 H72 N O3 P S3,C36 H72 N O3 P S3,693.4445,13.414004,0.415803106,0.513549007,0.426579049,0.376137098,0.435850229,0.589386308,0.393516506,0.333212649,0.395112892,0.259366745,0.332818735,0.322514393,0.428977669,0.271469412
9495,C32 H50 O10,13-Deoxytedanolide Esi+10.993983,611.3684,10.993983,0.293743601,0.088117016,0.927053449,0.398599574,0.285790422,0.20577529,0.420817048,0.164604197,-6.76E-05,0.361054771,0.199386598,0.124374678,0.10472154,0.203212752
9496,C24 H45 O12 P,PI(15:1(9Z)/0:0),573.2866,0.8700006,2.029429519,2.052261248,1.977569326,2.064177031,2.064175651,1.920389529,2.104518943,1.86650774,1.826611392,1.914103383,1.751619145,2.017550135,1.588655114,2.045649564
9497,C17 H46 N14 O5,C17 H46 N14 O5,526.3773,6.125,0.157849424,0.317381731,0.109360498,0.171213636,0.073857544,0.403022637,0.014920784,0.052918317,0.177630956,-0.095861673,0.091441595,-0.015340111,0.21232377,-0.049856251
9498,C24 H36 N12 O,C24 H36 N12 O,506.3005,14.591011,0.697923485,0.600858669,0.94578881,0.862931461,0.631200499,0.986376906,0.597078245,0.560132065,0.52599833,0.600853012,0.64939348,0.425378197,0.737424915,0.445824833
9499,C21 H24 O6,Hydroxymyricanone,394.1451,10.635988,0.166970608,0.193988893,0.251434869,0.04124141,0.402295666,0.355943974,0.157641172,0.231859463,0.099069475,0.390275589,0.097308227,0.420344165,0.224743717,0.236447246
9500,C33 H36 N4 O6,(3Z)-Phytochromobilin Esi+16.253967,584.2631,16.253967,0.647627435,0.53127306,0.701797162,0.451920822,0.760656885,0.638073091,0.587833514,0.847475495,0.86315288,0.828772651,0.714544912,1.05675136,1.06588647,0.706657893
9501,C24 H53 Cl N4 O3 S,C24 H53 Cl N4 O3 S,512.335,14.538031,0.890628357,0.745545469,0.941149193,0.825659783,0.87799422,0.821458348,0.873897644,1.160314708,1.135525587,1.189887694,1.174154441,1.135611003,1.164432738,1.157659662
9502,C20 H30 N6 O7,Tyr Glu Arg Esi+11.448981,466.2184,11.448981,1.701775532,1.557529221,1.898777115,1.751911073,1.743490467,1.77122552,1.703307399,1.544301158,1.381721885,1.738255379,1.538226034,1.54798871,1.535315892,1.55009429
9503,C24 H5 N2 O19 P,C24 H5 N2 O19 P Esi+11.218013,655.9227,11.218013,1.575295014,1.550138834,1.624906283,1.534807108,1.594129821,1.66333953,1.582682725,1.008617971,1.033235872,0.979249247,1.014490626,0.96677067,1.106789495,0.945323173
9504,C24 H30 O6,Clausarinol Esi+11.547033,436.1868,11.547033,0.330321799,0.219504232,0.593962879,0.334854407,0.489564246,0.159432553,0.590497798,0.293169557,0.217029609,0.384003179,0.240602805,0.360692545,0.1176997,0.406301439
9505,<none>,<none> Esi+9.135008 :2,480.8076,9.135008,0.080917865,0.139274967,0.044604598,0.120154671,0.365634784,0.151221778,0.20753248,-0.140415042,-0.026351607,-0.27649072,-0.322178197,0.084564729,-0.237640158,-0.077730429
9506,C13 H29 Cl3 N6 O S4,C13 H29 Cl3 N6 O S4,518.0354,13.894028,0.054021455,0.007927703,0.243165595,0.039709408,0.190675341,0.163318872,0.100813767,0.063489762,0.049699047,0.079941843,0.082973325,0.024118087,0.105088208,0.036669711
9507,C51 H55 N4 O5 P S,C51 H55 N4 O5 P S,866.3647,11.0900135,0.294103014,0.342604051,0.261105731,0.442416329,0.208653756,0.316492877,0.331920834,0.172692809,0.208459658,0.130023585,0.184403341,0.135281328,0.127776301,0.201652136
9508,C28 H40 O9,Withaperuvin B,520.2646,11.387962,2.004255571,1.816887708,2.11869937,1.926982061,2.033500865,1.807662939,2.059540132,2.006994532,1.853537126,2.190066525,1.963576125,2.062005915,1.918536849,2.064026458
9509,C20 H47 N7 O3 P,C20 H47 N7 O3 P,463.3357,14.592027,0.420282772,0.444575489,0.237607688,0.291965559,0.469763223,0.194420742,0.469159106,-0.152278451,-0.185417012,-0.112744728,-0.086163654,-0.255880794,-0.053029857,-0.216267676
9510,C24 H39 N24 O P,C24 H39 N24 O P Esi+12.831035,710.353,12.831035,1.381974148,1.140346392,1.749666841,1.471841113,1.359815118,1.400497026,1.436914377,1.102281718,0.924407852,1.314482119,1.126551773,1.072210047,1.025311665,1.151907147
9511,C34 H54 O11,"26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi+12.909002",638.3642,12.909002,1.299151126,1.163737799,1.379882705,1.297448561,1.199205066,1.258147227,1.277528592,1.394067198,1.258172568,1.556187107,1.459751176,1.284050021,1.357533979,1.417621509
9512,C44 H78 N O9 P,"PS(P-18:0/20:4(5Z,8Z,11Z,14Z)) Esi+14.316964",794.5343,14.316964,1.088825548,0.921333213,1.296610611,1.205864086,0.994890296,1.207764301,1.029303299,0.75178654,0.684233377,0.832376278,0.809626037,0.649476562,0.831802792,0.700197114
9513,C25 H35 N O4,17-phenyl trinor Prostaglandin E2 ethyl amide Esi+6.8330064,413.262,6.8330064,0.971320333,1.199938621,0.484513341,1.188556536,0.685761709,1.203818788,0.787630357,-1.378701537,-1.958509394,-0.687000935,-1.635043282,-1.094634381,-1.760267242,-1.132692069
9514,C44 H64 N16 O P,C44 H64 N16 O P,863.5182,13.924016,0.579699179,0.908296589,0.209964755,0.539059054,0.416737482,0.760772481,0.386836199,-0.193193072,-0.385814409,0.036600803,-0.190211037,-0.193664579,-0.297499701,-0.125942746
9515,C22 H34 O7,Nigakihemiacetal A Esi+10.440998,410.2271,10.440998,0.272675465,0.210106695,0.303637373,0.193728655,0.237903138,0.420874592,0.194850631,0.317590389,0.298356207,0.34053643,0.389835488,0.196548961,0.477609033,0.214420473
9516,C30 H61 N O,Longamide,451.4745,13.983958,1.553742498,1.606240037,1.750044113,1.615919455,1.788603714,1.773746302,1.630474553,-0.945745449,-0.947735136,-0.943371788,-0.998497393,-0.87170569,-0.899720396,-0.975419497
9517,C20 H38 N6 O4,Leupeptin Esi+14.395997,426.2999,14.395997,0.307056122,0.29689004,0.234167078,0.244370604,0.271385084,0.036875418,0.415048388,0.349168448,0.435827057,0.245786249,0.339925579,0.341084708,0.117269416,0.498682298
9518,C47 H78 O14,Nanchangmycin Esi+14.5,866.5361,14.5,0.422074512,0.35063708,0.488513492,0.361460002,0.557796331,0.382336903,0.50048208,0.786274235,0.784425043,0.788480288,0.578738212,1.03755329,0.490540265,0.97694482
9519,C11 H20 O3,"3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane",217.1675,5.187991,0.284008525,0.089262771,0.483857513,0.230477139,0.266630002,0.083444122,0.36840659,0.159843025,0.076931697,0.258754785,0.227739222,0.091158161,0.143680643,0.170263508
9520,C18 H32 O3,12(13)-EpOME Esi+14.037028,296.2329,14.037028,0.630860013,0.426644828,0.792515278,0.596666493,0.58846646,0.616186632,0.579915665,-0.490224712,-0.347159685,-0.66089878,-0.491806982,-0.489219625,-0.471617762,-0.502221299
9521,C25 H40 N3 O8,C25 H40 N3 O8,510.2806,11.3490305,1.198888427,1.009408068,1.507101773,1.171849924,1.208525035,1.196952396,1.229625462,1.623983572,1.400159711,1.891001511,1.65597542,1.549743997,1.616031665,1.629110459
9522,C14 H4 N O22 P S,C14 H4 N O22 P S,600.8693,10.950998,0.345619979,0.608422955,0.269033971,0.334124058,0.204202407,0.338147493,0.253839774,-0.107306212,-0.253208899,0.066753133,-0.104772164,-0.10812297,-0.142516021,-0.084605152
9523,C31 H57 N11 P,C31 H57 N11 P Esi+15.393014,614.4519,15.393014,0.282743303,0.512927355,0.018647376,0.251516499,0.306095604,0.341827582,0.248071225,-0.236727119,-0.512966837,0.092822018,-0.234768233,-0.265618272,-0.341468181,-0.169196698
9524,C12 H18 O3,"3-Ethenyl-2,5-dimethyl-4-oxohex-5-en-2-yl acetate Esi+7.1379757",210.1255,7.1379757,0.070918873,0.234841986,0.079169227,0.071512238,0.193530654,0.096036414,0.171454573,0.021950691,-0.073421874,0.135728487,0.085585915,-0.08461422,0.145990396,-0.058022277
9525,C34 H55 N O3,ICI 164384 Esi+14.173029 :1,525.4221,14.173029,0.553110534,0.677241922,0.338753177,0.421601435,0.614572034,0.51317486,0.519520429,-0.391980668,-0.451629123,-0.320821107,-0.391578636,-0.394463461,-0.420909799,-0.373328992
9526,C27 H54 O4,MG(0:0/24:0/0:0),464.3839,15.937011,0.883263758,1.006107238,0.635813251,1.057142171,0.48291076,0.904785262,0.792513639,-0.700084435,-0.874862814,-0.491576895,-0.907439781,-0.423563226,-0.752297958,-0.666420453
9527,C37 H73 N2 O6 P,"PE-Cer(d16:2(4E,6E)/19:0) Esi+14.229984",671.5138,14.229984,0.329778549,0.419152301,0.11615847,0.401641705,0.184928589,0.2091265,0.352025511,-0.133047514,-0.194895834,-0.059263553,-0.14492684,-0.127808876,-0.056489538,-0.182407261
9528,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.653009,311.152,11.653009,0.176855443,0.217962477,0.018839552,0.24604252,0.0685727,0.174111058,0.066578991,-0.065393568,-0.169422281,0.058710862,-0.005209777,-0.14878897,-0.047795104,-0.076739946
9529,C49 H78 N9 O4 S,C49 H78 N9 O4 S,888.5927,14.31004,0.972353982,1.053516527,0.762156394,0.981364622,0.922431825,1.010918751,0.899698532,-0.460596366,-0.553647128,-0.349588439,-0.442031359,-0.512642344,-0.492846794,-0.439803326
9530,C34 H50 O6,"(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate Esi+9.5269985",571.3885,9.5269985,0.202008203,0.07644552,0.743794961,0.133737697,0.464135257,0.159940202,0.366932409,0.070509315,-0.13981067,0.321417367,-0.048378974,0.240528355,-0.033397657,0.137501968
9531,C25 H32 O7,"17,18-dehydro-clavulone I Esi+12.059012",466.1979,12.059012,1.243217487,1.021537611,1.443622734,1.220713029,1.149116604,1.210982738,1.209003491,0.80966258,0.699280377,0.941346611,0.778263508,0.835073639,0.809800433,0.809573701
9532,C47 H72 O15,Pectenotoxin 2 secoacid Esi+6.3759875,438.2372,6.3759875,0.742466968,0.549875492,0.839904082,0.627383599,0.732461199,0.539976886,0.799091387,0.689140981,0.456578317,0.966584159,0.554660049,0.864958454,0.48433861,0.821184616
9533,C43 H75 Cl3 O2,C43 H75 Cl3 O2,728.4839,12.916014,1.403988353,1.372700949,1.442930167,1.377162919,1.397823273,1.408279819,1.425727372,0.748848127,0.772115482,0.72109058,0.764242389,0.711367054,0.80729015,0.711168401
9534,C18 H32 O3,C18 H32 O3,296.2347,15.9770355,1.092065168,1.319951813,0.730110129,1.148209888,0.937073129,1.125843415,0.96648527,-1.161699923,-1.463530645,-0.801621167,-1.194179177,-1.13508557,-1.254711332,-1.101732041
9535,C20 H32,gamma-Pinacene Esi+12.684014,289.2768,12.684014,0.286211436,0.411676609,0.000353608,0.191884433,0.303880811,0.517364046,0.124131873,-0.144329669,-0.198373943,-0.079855798,-0.068882005,-0.22978172,-0.226644189,-0.091258466
9536,C42 H76 N6 P S3,C42 H76 N6 P S3,791.5066,13.648986,1.356980635,1.141822742,1.490697843,1.329249528,1.277862529,1.288719993,1.315288686,1.389593007,1.241269612,1.566540216,1.400516245,1.35224981,1.361587393,1.407649258
9537,C13 H Cl3 N O6 P S5,C13 H Cl3 N O6 P S5,562.7209,12.608966,0.590670697,0.678598122,0.314399047,0.726215536,0.268043557,0.564698082,0.487378514,-0.184374075,-0.265357639,-0.087762103,-0.205909975,-0.169285957,-0.190145611,-0.180652953
9538,C17 H26 O5,Valdiate Esi+11.703997,332.1594,11.703997,0.168639424,0.180007226,0.113024577,0.230739999,0.086705032,0.166488341,0.188317141,0.107169873,0.095001108,0.121686995,0.128009263,0.056813138,0.10992817,0.105391497
9539,<none>,<none> Esi+13.540025 :2,456.8157,13.540025,2.083823985,2.168140198,2.120297421,2.146227361,2.18129888,2.271187364,2.089386574,1.038616058,1.097011526,0.968951289,1.051642816,1.006261351,1.106026854,0.995153834
9540,C29 H57 O12 P,PI(20:0/0:0),627.3481,13.186018,1.575270796,1.340372803,1.509869009,1.401033426,1.476496322,1.318911431,1.552574796,2.103802254,1.929163399,2.312143345,2.028003913,2.20398662,1.962546093,2.194875305
9541,C12 H20 N2 O9,3-Hydroxymugineic acid,336.1178,5.953988,0.471192166,0.535505571,0.262028619,0.564666006,0.244453371,0.415248825,0.462900415,-0.239945101,-0.375168953,-0.078625418,-0.338656278,-0.105424834,-0.305003432,-0.197999598
9542,C16 H24 O7,PGDM Esi+4.98901,328.1497,4.98901,1.237375643,1.26175805,1.410506307,1.327174983,1.421583122,1.52387724,1.212121774,-0.628931185,-0.639145343,-0.616745874,-0.578485966,-0.692350936,-0.784580386,-0.528578411
9543,C15 H24 O5,C15 H24 O5 Esi+8.68701,284.1772,8.68701,0.019193197,0.24253913,0.27539849,0.044429188,0.046319089,0.268522991,0.133044243,-0.058237537,-0.264712005,0.18808288,-0.091018354,-0.006095714,-0.317000789,0.108596665
9544,C46 H90 N O10 P,PS(18:0/22:0) Esi+14.762957,847.6201,14.762957,0.386713472,0.446284093,0.188262622,0.211659309,0.478373538,0.361731208,0.347323651,-0.22965343,-0.335010425,-0.103964385,-0.180161303,-0.307264119,-0.237011872,-0.224909172
9545,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.913986 :1,285.2665,9.913986,0.220073135,0.097808838,0.471132337,0.325612708,0.158921411,0.412849891,0.187868117,0.209781541,0.072448707,0.373617202,0.288689726,0.107637903,0.274660129,0.167951925
9546,C20 H49 N18 O6,C20 H49 N18 O6,637.4061,9.183,0.288843163,0.144363051,0.445145202,0.412190402,0.035864824,0.332086804,0.259326865,-0.234340096,-0.1646968,-0.317423326,-0.312558937,-0.139710353,-0.279048273,-0.205515087
9547,C20 H34 O5,15-F2t-IsoP,376.2229,13.335994,0.097671589,0.154438812,0.044434604,0.064958471,0.071069934,0.166628615,0.014142976,-0.106961562,-0.317365957,0.144047189,-0.161542866,-0.063645098,-0.238311167,-0.022275633
9548,<none>,<none> Esi+12.988022,500.7851,12.988022,0.916999709,0.623110635,1.352188642,0.980075455,0.973554172,0.686329243,1.092178667,0.425212989,0.292590855,0.583428869,0.425473755,0.442158515,0.296472817,0.508216522
9549,C26 H56 N2 O7 P,Methylcarbamyl PAF C-16 Esi+13.97405,556.4076,13.97405,0.112346041,0.180470961,0.025464596,0.214514079,0.010445006,0.018617182,0.119347635,-0.02564517,0.00104273,-0.057483366,0.009202917,-0.091705719,0.14605824,-0.136348684
9550,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.770997,285.2662,9.770997,0.439021248,0.258222613,0.591803828,0.387075953,0.511621154,0.351770532,0.438584926,0.376396632,0.203255347,0.582951147,0.296408483,0.510257258,0.420397526,0.348027635
9551,C21 H28 F2 O3,"6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione Esi+9.270013",366.2007,9.270013,0.912190966,0.90116211,0.819133306,0.783698019,0.8821526,0.879286177,0.824574025,-0.567344004,-0.577894692,-0.554757218,-0.508418196,-0.675767258,-0.582671136,-0.557462037
9552,C23 H38 O3 S,Arachidonoyl-1-thio-Glycerol Esi+7.332005,411.2832,7.332005,0.208297145,0.076514256,0.651311285,0.102979145,0.380183434,0.13369488,0.365834129,0.131538475,0.007843192,0.279104779,0.103044158,0.165951825,0.106205826,0.147871368
9553,C24 H18 Cl N20 O2 P,C24 H18 Cl N20 O2 P,684.1344,13.010009,1.131827563,1.076276699,0.94086335,1.059631857,0.983667742,0.908067037,1.085691441,-0.774109932,-0.799785357,-0.7434796,-0.690490116,-0.898276222,-0.634251001,-0.864282138
9554,C25 H37 N11 O2,C25 H37 N11 O2,523.3236,10.997001,0.549674039,0.505965761,0.707223119,0.778182484,0.364441975,0.908591179,0.400630445,0.434187841,0.441151504,0.425880314,0.594191394,0.233072972,0.746092081,0.233091687
9555,C17 H25 Cl O2,Panaxydol chlorohydrine,296.1556,7.3170104,0.776462237,0.63776096,0.774097368,0.674385519,0.672412712,0.836558188,0.64458744,0.330220323,0.311228063,0.352877756,0.353256974,0.291852356,0.416710498,0.27445692
9556,C27 H46 N6 O7,C27 H46 N6 O7 Esi+13.836974,566.3429,13.836974,1.448991251,1.273293477,1.622161892,1.453270228,1.392404587,1.410724929,1.465605365,1.510609375,1.337033219,1.717682683,1.477631176,1.543933603,1.459591598,1.543502415
9557,C26 H31 Cl3 N4 O16 P,C26 H31 Cl3 N4 O16 P,791.0538,13.83904,0.295004254,0.352558471,0.042899532,0.319195279,0.02116878,0.11892398,0.157918226,-0.104686416,-0.162173888,-0.036104871,-0.091820654,-0.139019622,-0.039373355,-0.146796153
9558,C48 H90 N O10 P,"PS(22:2(13Z,16Z)/20:0)",871.6195,15.75495,0.117160816,0.161455225,0.690871161,0.285116981,0.127470115,0.1196335,0.185778071,0.103774997,-0.042552615,0.27834127,0.118893157,0.073901523,0.099264768,0.106682907
9559,C31 H40 N4 O4,C31 H40 N4 O4,530.2861,14.412027,0.609421404,0.640549136,0.50629015,0.700734781,0.384728416,0.74417871,0.509969516,0.943710976,1.098521407,0.759024847,1.15605579,0.633535623,1.100436603,0.842664189
9560,C12 H35 Cl2 N10 P,C12 H35 Cl2 N10 P,420.212,11.479003,0.38993553,0.521526603,0.145285532,0.39558872,0.173217275,0.666327275,0.208775684,0.188635617,0.321039111,0.030680571,0.258297181,0.070532854,0.418851379,0.040207033
9561,C6 H6 N6 O2,Temozolomide Esi+4.0499916,194.0557,4.0499916,0.591850597,0.444932914,0.646735211,0.448682292,0.644559829,0.710650462,0.48207225,0.608732581,0.492681902,0.747179004,0.512692941,0.715234532,0.745158432,0.520773808
9562,C20 H30 N4 O2,SB 939 Esi+12.667987,358.2338,12.667987,0.859831417,0.63022715,1.083029382,0.775275672,0.891665983,0.651210552,0.974538975,0.831802204,0.681528916,1.011075601,0.780079886,0.894415036,0.70404109,0.914174502
9563,C44 H78 N O8 P,"PE(17:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+15.368977",778.5383,15.368977,0.728813071,0.718415279,0.686481148,0.802651116,0.621279287,0.812183478,0.680993149,0.603952528,0.607639359,0.599554205,0.645442016,0.532518658,0.647800658,0.575682024
9564,C18 H25 N3 O7,Thr Glu Phe,394.1602,9.761984,0.55391069,0.462808532,0.591155295,0.454439455,0.612758126,0.574294743,0.508005756,0.327178697,0.298824854,0.361004335,0.316854625,0.325785864,0.345155833,0.315588176
9565,C31 H37 N O2 S,C31 H37 N O2 S Esi+15.600034,487.2545,15.600034,1.50266927,1.607820994,1.210563367,1.574700812,1.321021442,1.489727149,1.466555394,-1.591941233,-1.829442205,-1.30860674,-1.650699638,-1.518139349,-1.714469409,-1.512942804
9566,C23 H40 N23 O,C23 H40 N23 O,652.3798,13.198979,2.018097952,1.810649324,2.100811289,1.912295765,2.094132479,1.831278964,2.116144794,1.877306019,1.76021462,2.016994005,1.815163139,1.963488222,1.703666355,1.989257909
9567,C23 H46 N3 O2,C23 H46 N3 O2,396.3601,15.753976,1.52435652,1.519070088,1.290393915,1.449332354,1.382417956,1.455784844,1.381861032,-0.889527601,-1.010615889,-0.745071397,-0.911068611,-0.850480067,-0.931785279,-0.862282519
9568,C26 H46 N8 O,C26 H46 N8 O,486.3792,13.249019,1.54234235,1.692125456,1.213237157,1.37017735,1.658953199,1.662605699,1.440372853,-0.915516943,-1.060916389,-0.742057955,-0.885480645,-0.960009536,-0.982489779,-0.872337089
9569,C32 H39 N25 O P,C32 H39 N25 O P,820.3534,7.1209807,0.041844876,0.039978181,0.073514798,0.098379673,0.172349728,0.089129962,0.026419826,0.049414011,0.038182607,0.062812878,0.152897452,-0.121815769,0.151539595,-0.016430116
9570,C33 H62 O11 S,C33 H62 O11 S,665.4081,10.934007,0.82289886,0.881753121,0.631857977,0.631391761,0.828011473,0.846813019,0.743365699,0.423977455,0.532071318,0.295023373,0.381026362,0.455597894,0.527385775,0.357306301
9571,<none>,<none> Esi+7.9040203 :1,459.7844,7.9040203,0.06831883,0.017314921,0.112627338,0.235318291,0.202005488,0.290608687,0.078344207,-0.119843056,-0.03293692,-0.223520551,-0.269683613,0.068195619,-0.285520236,-0.013024874
9572,C35 H68 N3 O4 P S2,C35 H68 N3 O4 P S2,689.4362,13.274977,0.192549299,0.190410687,0.183100783,0.349417885,0.026754696,0.37648513,0.085719175,0.261049795,0.265487435,0.255755768,0.367110761,0.096634983,0.46259148,0.131108445
9573,C44 H71 O9 P,1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol),774.4867,12.748027,0.620273842,0.972282151,0.152999059,0.548619233,0.655351075,0.630785693,0.608404624,0.360212537,0.597180118,0.077514371,0.336941887,0.357924695,0.423117123,0.319655633
9574,C14 H26 N6 O6,C14 H26 N6 O6,374.1923,6.448984,0.199435502,0.334092572,0.760515285,0.110837739,0.362576865,0.121439954,0.335509565,-0.274815474,0.17001802,-0.805494027,-0.23006851,-0.36409673,-0.016434797,-0.441403015
9575,C30 H25 N11 O3 P,C30 H25 N11 O3 P,618.1913,16.260988,0.668987512,0.691873938,0.588031334,0.475205224,0.891063674,0.546286529,0.750480599,0.62982131,0.646486228,0.609940355,0.492765467,0.805806551,0.526481031,0.696448595
9576,C32 H40 N4,Borreverine Esi+9.568993,497.3568,9.568993,0.468764469,0.399727654,0.522168617,0.379517085,0.547856797,0.569443869,0.416149428,0.22102746,0.223340085,0.218268539,0.20655556,0.21525525,0.305843289,0.16634357
9577,C37 H66 N O8 P,"PE(14:0/18:4(6Z,9Z,12Z,15Z)) Esi+9.597005",683.4551,9.597005,0.729271331,0.623780623,0.765035098,0.863018706,0.52832147,0.561401766,0.743121139,-0.371648173,-0.315157569,-0.439040472,-0.40033588,-0.356676674,-0.275695575,-0.433512348
9578,C8 H11 N,2-Ethyl-5-methylpyridine,121.0892,0.88999945,0.70829687,0.843607777,0.251445244,0.688940534,0.616317131,0.832775687,0.515779154,-0.320259696,-0.468373577,-0.143562435,-0.305354458,-0.350919681,-0.39617805,-0.271312337
9579,C21 H39 N O6,Sphingofungin F Esi+13.804988 :1,401.2796,13.804988,0.067239391,0.369285083,0.404108547,0.03381649,0.162317865,0.159386629,0.011465387,-0.046908524,-0.221298371,0.161135504,0.010213415,-0.135983626,-0.085136679,-0.022261424
9580,C9 H17 N O6 S,S-Ribosyl-L-homocysteine,284.1031,7.368014,0.104999121,0.395774723,0.312903657,0.261152939,0.2062461,0.12544448,0.065690572,-0.157867119,-0.595390986,0.364091178,-0.442181121,0.253986356,-0.295125883,-0.069371337
9581,C19 H24 O3 S,C19 H24 O3 S,332.1448,4.5729985,0.181419091,0.001821771,0.390013165,0.058757015,0.301508526,0.169353235,0.136694907,-0.205518609,-0.158639101,-0.261445041,-0.159493413,-0.220930421,-0.27080165,-0.163428228
9582,C23 H38 O9,[6]-Gingerdiol 5-O-beta-D-glucopyranoside Esi+11.785989,480.2336,11.785989,0.879117049,0.743087072,0.793604431,0.865991078,0.640106675,0.854828264,0.73697165,0.950227231,0.844793565,1.076007745,0.958449494,0.926251177,1.04542319,0.88885089
9583,C16 H28 O,"4E,6E,10Z-Hexadecatrien-1-ol",258.1977,14.319021,1.565603616,1.563233741,1.519657126,1.587561612,1.402707952,1.832831728,1.375788425,-1.049125468,-1.077188812,-1.015646391,-1.088141142,-0.990479545,-1.138904003,-0.991241939
9584,C11 H2 Cl2 N O2 P S5,C11 H2 Cl2 N O2 P S5 Esi+4.973012,440.7803,4.973012,0.03302465,0.067789029,0.230904409,0.105421694,0.367214289,0.074299521,0.183508015,0.016988028,-0.032040702,0.075478443,-0.015563985,0.069726116,-0.01698813,0.038893709
9585,C14 H29 N O,Halaminol A Esi+13.535962,227.2248,13.535962,1.529096483,1.402284393,1.653467541,1.53863228,1.42681683,1.5982805,1.500856358,-0.830895606,-0.825419312,-0.837428729,-0.861931278,-0.78080604,-0.86909848,-0.806264806
9586,C24 H34 N11,C24 H34 N11,476.299,5.090991,0.767855476,0.798384607,0.486402108,0.668601855,0.647787714,0.835628321,0.556460929,0.511388275,0.622414977,0.378935367,0.41751891,0.628299304,0.662532051,0.413940314
9587,C43 H64 N7 O4,C43 H64 N7 O4,742.495,13.678972,0.336438735,0.326651562,0.352961047,0.261247806,0.341446115,0.254015905,0.320344782,0.235456376,0.26415103,0.201224158,0.208806767,0.251894164,0.222476862,0.243824747
9588,C17 H32 O4,8-methyl-hexadecanedioic acid,322.2111,11.519025,0.99655252,0.997623433,0.920263955,0.771790326,1.18190588,0.933315239,1.064089381,-0.53150398,-0.556829937,-0.501290559,-0.481295499,-0.613762915,-0.515636166,-0.541734545
9589,C25 H34 O8,Hydrocortisone succinate,462.2209,9.864992,0.937753987,0.819516701,0.930264037,0.825731297,0.842920563,1.06954756,0.758591386,0.756501382,0.69821307,0.826038314,0.736487422,0.767804763,0.903641225,0.661634904
9590,C21 H26 F2 O6,Fluocinolone,412.1703,10.031987,0.746293378,0.517004871,1.014086297,0.509624323,1.141761121,0.258943019,1.111401627,0.501853625,0.313957377,0.726010553,0.258101385,0.881898903,0.070649092,0.779867074
9591,C23 H46 N O4,Pahutoxin Esi+12.476012,399.3347,12.476012,1.456030817,1.523039795,1.353425157,1.478248006,1.330238837,1.490044756,1.415453595,-1.356060524,-1.646982558,-1.00899564,-1.410654259,-1.282402123,-1.474949779,-1.279408241
9592,C22 H4 N2 O21,C22 H4 N2 O21 Esi+14.061022,631.9307,14.061022,1.56063836,1.567345965,1.775228066,1.52394268,1.837354339,1.508854218,1.793964839,0.924511829,0.939892349,0.906163137,0.924276729,0.944465459,0.910479081,0.933559258
9593,C23 H47 N8 P,C23 H47 N8 P Esi+15.075979 :1,464.3576,15.075979,1.124918927,1.235520324,0.839568763,1.082935189,1.028708136,1.163828063,0.992516627,-0.587306784,-0.737500725,-0.408128046,-0.536363177,-0.675046737,-0.634492624,-0.556884334
9594,C29 H57 N11 P,C29 H57 N11 P Esi+15.788026,590.452,15.788026,1.007750301,0.973746666,0.873588792,0.788198028,1.023339532,0.676980557,1.031802979,-1.131571641,-1.206308076,-1.042412386,-0.934344229,-1.394404192,-0.780528061,-1.357902371
9595,C14 H20 N13,C14 H20 N13,368.1803,7.0170007,0.437948192,0.667716185,0.058385727,0.513469962,0.239381448,0.663494768,0.267488595,0.48815193,0.781624065,0.138044822,0.620063514,0.265793403,0.834411616,0.264905554
9596,C15 H20 O7,3-Hydroxychavicol 1-glucoside Esi+6.3370037,312.1187,6.3370037,0.539457535,0.647100279,0.36844877,0.626453842,0.369891636,0.582764103,0.461442191,0.244270285,0.269536548,0.214128076,0.271753446,0.22487151,0.27198909,0.22639895
9597,C30 H48 O4,Corosolic acid Esi+15.301021,472.3535,15.301021,0.401705093,0.490481747,0.246097503,0.713891348,0.073384978,0.363078775,0.302624142,-0.115728505,-0.170772707,-0.050061739,-0.227720297,0.020584844,-0.134729654,-0.103477765
9598,C13 H27 N8 O2,C13 H27 N8 O2 Esi+5.4809947,327.2253,5.4809947,1.317614707,1.499803767,1.401797791,1.468366293,1.604876862,1.50579958,1.434688636,-0.88182206,-0.947094713,-0.803952931,-0.757270103,-1.050901827,-0.671304755,-1.017550323
9599,C16 H26 O5,Tetranor-PGD1 Esi+8.766996,298.1774,8.766996,1.330991258,1.273850233,1.224916573,1.172741986,1.315346549,1.304892289,1.251377821,1.485016459,1.48990029,1.479190135,1.426090683,1.559179299,1.582879148,1.421920779
9600,C28 H55 N18 O2,C28 H55 N18 O2 Esi+9.084984,675.4751,9.084984,0.730468545,0.69312593,0.769465991,0.935261023,0.457939247,0.836053078,0.621008142,-0.501624998,-0.435630764,-0.580354962,-0.57411075,-0.424045862,-0.467335362,-0.52373279
9601,C35 H56 O10,Madlongiside C Esi+14.456034,636.3863,14.456034,0.010935819,0.014736852,0.130049011,0.061443674,0.059331936,0.100463971,0.218740525,-0.122513225,-0.150126208,-0.089571421,-0.092733204,-0.205263359,-0.303306821,-0.005948933
9602,C31 H43 N7 O3,C31 H43 N7 O3,561.3436,10.436013,0.52497496,0.742982407,0.180613487,0.664304905,0.24975927,0.822597594,0.290395732,0.431008099,0.713273005,0.094271018,0.608282933,0.142338768,0.789707569,0.199741336
9603,<none>,<none> Esi+12.650957 :1,549.697,12.650957,1.529766672,1.547810214,1.640317484,1.542709232,1.618413459,1.600254363,1.614212554,0.779960301,0.803265284,0.752157864,0.782355391,0.756600027,0.808912706,0.761293618
9604,C21 H38 N2 O2,C21 H38 N2 O2 Esi+11.270015,350.2933,11.270015,0.003235028,0.01892599,0.016119518,0.046987687,0.13165262,0.014251762,0.003994131,-0.023171916,-0.019085624,-0.02804679,-0.114480763,0.078760148,-0.057298734,-0.001169099
9605,C50 H95 O13 P,PI(22:1(11Z)/19:0) Esi+13.60798,933.6536,13.60798,0.195523913,0.122934141,0.308352262,0.278274704,0.231621915,0.014490361,0.332983554,-0.069085424,-0.004120773,-0.146587112,-0.050383106,-0.115984043,0.042456818,-0.141000816
9606,C23 H31 N9 O4,Arg His Trp,497.2496,12.510988,0.970059051,1.028286276,0.769690844,0.922494409,0.820242058,0.845003356,0.951760165,-0.393291102,-0.460661306,-0.31291963,-0.410001934,-0.361312644,-0.443020836,-0.36122851
9607,C14 H20 O4,QH(2) Esi+7.7459817,252.1346,7.7459817,1.813213039,1.627036612,2.010307435,1.804707229,1.87018022,1.862698235,1.812012435,1.606567906,1.40489397,1.847161373,1.572652402,1.623498179,1.632979892,1.589539126
9608,C19 H28 N4 O3,LY255283 Esi+10.756011 :2,360.2144,10.756011,2.29106806,2.15820683,2.497271285,2.212906397,2.46677224,2.160590174,2.399905035,3.126274836,2.803080273,3.51184028,2.99264994,3.318023959,2.953162883,3.23788649
9609,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+9.5560055 :1,661.4565,9.5560055,0.233573922,0.188024693,0.226503847,0.277106301,0.086158572,0.016635392,0.240668794,-0.185132575,-0.105069378,-0.280646564,-0.177059344,-0.226403494,-0.028177037,-0.286327593
9610,C9 H17 N O2,Gabapentin Esi+6.755989,193.1085,6.755989,1.040132411,1.148479781,0.836769195,0.955384872,1.157902203,1.15280478,0.98325942,-0.351416822,-0.396993618,-0.297044504,-0.314323067,-0.409899914,-0.370642516,-0.339021309
9611,C49 H95 N2 O,C49 H95 N2 O,727.7424,6.298999,2.044191918,1.963824428,2.002811459,1.969452425,2.095748396,1.921386218,2.070614136,1.782503524,1.904544276,1.636911049,1.675691847,1.91530498,1.802015757,1.769923269
9612,C50 H89 N O8 P,"PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U]",862.6359,14.106988,0.148593699,0.179549995,0.024997903,0.146397792,0.028067399,0.023215235,0.119344423,-0.042625745,-0.071154726,-0.008591171,-0.019888863,-0.073855606,0.029482268,-0.089116437
9613,C24 H27 N2 O16 S,Prebetanin Esi+14.022967,630.1054,14.022967,0.409420661,0.436933348,0.295866185,0.492183607,0.344687324,0.347482256,0.39962532,-0.151104914,-0.17594693,-0.121468824,-0.161753864,-0.149133413,-0.141681846,-0.157180313
9614,C16 H32 N6 O5,Lys Lys Asn Esi+10.440997,388.2463,10.440997,0.041030208,0.049413346,0.165205784,0.173033349,0.119591716,0.363915028,0.112880918,0.046433668,0.016635707,0.081982112,0.220285962,-0.216356736,0.335956925,-0.140232643
9615,C16 H21 N5 O2,Alizapride Esi+6.937009,315.1721,6.937009,0.454627166,0.458701662,0.434342726,0.346817797,0.57733123,0.434971307,0.510668151,-0.368112521,-0.358663515,-0.379385019,-0.348273575,-0.413405667,-0.345266097,-0.382842452
9616,C12 H20 N6 O4,C12 H20 N6 O4 Esi+6.2030025,312.1553,6.2030025,2.132870766,2.089207198,2.184157513,2.026226958,2.329466687,2.022151372,2.224824166,2.75578954,2.71772936,2.801194667,2.547325172,3.015062727,2.624469554,2.840456373
9617,C15 H25 N O3,Metoprolol Esi+9.162998 :1,267.1809,9.162998,0.415640436,0.562399981,0.419371621,0.404220241,0.398305796,0.638838479,0.389586706,-0.349087636,-0.319362706,-0.384548956,-0.451028102,-0.214276054,-0.503667437,-0.249424343
9618,C23 H49 N7 O3 P,C23 H49 N7 O3 P,502.3771,14.989991,0.061449213,0.062074954,0.0371719,0.114363552,0.038830396,0.175003986,0.003240353,0.038978626,0.041680823,0.035754952,0.076384616,-0.017622086,0.122896661,-0.015126423
9619,C18 H37 N O2,Palmitoyl-EA,321.2658,10.311016,0.415537353,0.54513585,0.029477925,0.632742393,0.034549029,0.54910643,0.19554222,-0.090827502,-0.168495927,0.001829565,-0.143328783,-0.011780604,-0.137390122,-0.060806866
9620,<none>,<none> Esi+10.9740305,492.7796,10.9740305,1.412004025,1.199187474,1.70279707,1.371095128,1.556900408,1.235633632,1.616150299,0.697849433,0.598433665,0.8164507,0.711933771,0.68104721,0.63491294,0.738426908
9621,C11 H24 O4,C11 H24 O4,220.1677,7.453987,0.226718692,0.028859604,0.44151931,0.120601884,0.321872114,0.159664671,0.217832661,-0.178802911,-0.049217315,-0.333396253,-0.103409134,-0.306754579,-0.141491694,-0.202858827
9622,C38 H46 O7,Acetyl Podocarpic Acid Anhydride,636.311,11.836017,0.990166889,0.815527315,0.973064659,0.835146321,0.987975559,0.985258925,0.868781556,0.649730449,0.605853825,0.702074493,0.662815535,0.616953577,0.728627842,0.598862394
9623,C23 H28 O4,Tephrowatsin D Esi+13.509019,368.1996,13.509019,0.539376724,0.648932964,0.257101286,0.281713492,0.704802748,0.642156234,0.398712164,-0.104800876,-0.156914673,-0.042630031,-0.035586213,-0.192557245,-0.137918891,-0.083448472
9624,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.351021,525.5114,14.351021,2.241649776,2.387840357,2.161600819,2.448201123,2.21856448,2.467524813,2.242453734,-2.841174759,-3.224164401,-2.384274836,-2.930829539,-2.701794469,-2.912762608,-2.795019436
9625,C38 H46 O7,Acetyl Podocarpic Acid Anhydride Esi+13.477032,636.3143,13.477032,0.733666047,0.510268502,0.813406155,0.697802496,0.65205045,0.707561078,0.654252305,0.616726911,0.444474158,0.822221424,0.576247232,0.680690767,0.565913931,0.649487912
9626,C31 H2 N3 O14 P,C31 H2 N3 O14 P Esi+9.954998,670.9278,9.954998,0.063823146,0.147751281,0.242304499,0.064188033,0.019410293,0.131331272,0.043275572,-0.053752321,-0.107552024,0.010429781,-0.021974037,-0.098853374,-0.068546702,-0.044213839
9627,C38 H74 Cl N5 O P S3,C38 H74 Cl N5 O P S3,776.4312,13.775954,0.533226581,0.388531568,0.816284659,0.619290777,0.507620612,0.569101627,0.511806783,0.401040744,0.301358357,0.519960082,0.429040965,0.363740627,0.379766609,0.414756962
9628,C40 H69 O8 P,"PA(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+7.255988 :1",707.4657,7.255988,0.152072545,0.001715496,0.420161954,0.220820546,0.164696877,0.101071584,0.331168111,-0.095676454,0.018896179,-0.232359594,-0.075263865,-0.143242364,0.067371646,-0.20079957
9629,C22 H28 O11,Prim-o-glucosylcimifugin,468.1576,8.974993,0.339683606,0.277012296,0.505500151,0.234678736,0.618841714,0.059792009,0.661409879,0.22656871,0.237600359,0.213408145,0.125317542,0.361435252,0.047831152,0.341807398
9630,C15 H30 O,3-Ethyltridecan-2-one Esi+9.577985,243.2558,9.577985,0.840865931,1.05143211,0.591656537,0.94844281,0.644893942,1.034152349,0.68773389,-0.279809538,-0.320991289,-0.230680432,-0.339631769,-0.203229069,-0.376615439,-0.217395207
9631,C16 H24 O8,Dihydroconiferin Esi+5.8489995 :1,344.1435,5.8489995,1.030637384,1.110127461,0.982404085,0.822221766,1.26935716,1.038801967,1.032581656,-0.727593257,-0.759640557,-0.689361389,-0.536686501,-0.992248303,-0.677918801,-0.759620208
9632,C23 H23 N20 O5 P,C23 H23 N20 O5 P,690.1892,6.350994,1.836290715,1.750810092,1.743528792,1.750209885,1.801317935,1.523386004,1.911131804,-1.331429265,-1.32475501,-1.339391535,-1.21829641,-1.483802596,-1.197400483,-1.417842559
9633,C21 H32 F2 O2,"3,3-Difluoro-5alpha-androstan-17beta-yl acetate",354.2375,9.934001,0.444200962,0.603808362,0.229527528,0.547561113,0.338036439,0.587599549,0.298408008,-0.125425627,-0.205600895,-0.029777938,-0.128942521,-0.112494486,-0.172491209,-0.095080712
9634,C54 H76 N2 O10,Ritterazine A Esi+14.159974,934.5271,14.159974,0.229120519,0.090820006,0.416837098,0.162542804,0.238309326,0.404408794,0.12333457,0.145720606,0.05372914,0.255464811,0.15175663,0.113916388,0.215394539,0.100799255
9635,C19 H36 O5,"1,2-Dioctanoyl-sn-glycerol Esi+11.524985",366.2371,11.524985,1.05636871,1.166774753,0.796259651,0.942752772,1.004503574,1.101462945,0.972490843,-0.310081997,-0.392262857,-0.212041672,-0.299595102,-0.335215048,-0.354712065,-0.281307347
9636,C26 H40 O6,"(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)",448.2826,11.868983,0.426636908,0.351894096,0.505578197,0.331830755,0.524230498,0.55576208,0.394170846,0.415843166,0.349649088,0.49481154,0.300950823,0.544457261,0.419720571,0.41334326
9637,C12 H20 O5,"Polyethylene, oxidized Esi+6.2060094",244.1311,6.2060094,1.015875981,0.947031508,1.173264878,1.044368076,0.942543807,1.091822285,0.971858341,0.783968101,0.708985717,0.873420771,0.839895384,0.692798221,0.837398661,0.749519451
9638,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+14.737043 :1",280.24,14.737043,1.6290972,1.816692636,1.274723388,1.696319424,1.497481073,1.768170423,1.476855198,-1.411076098,-1.659926977,-1.114201366,-1.35908043,-1.4969333,-1.426203295,-1.401323037
9639,C19 H27 N3 O4 S,Phe Met Pro,410.196,11.506984,0.643037464,0.5988257,0.699220597,0.773475635,0.501652669,0.57439577,0.664180486,-0.477424833,-0.502173322,-0.447900321,-0.5291845,-0.390565148,-0.503615422,-0.460538796
9640,C15 H26 N6 O7,Gln Gln Gln Esi+6.474985,402.1875,6.474985,0.486614022,0.427215968,0.523284124,0.488261272,0.527370024,0.739404774,0.338456085,-0.447374465,-0.428641754,-0.469722261,-0.438027891,-0.475056357,-0.637901089,-0.324534932
9641,C20 H32 O5,?-12-PGD2 Esi+10.172009,352.2221,10.172009,0.543745355,0.311049962,0.809819572,0.539219852,0.586887709,0.12331909,0.782407821,-0.431423309,-0.24379012,-0.655266412,-0.383330675,-0.513624704,-0.139280828,-0.61977833
9642,C31 H37 N5 O3,Doramapimod Esi+10.562991,526.2757,10.562991,2.156157866,2.132696005,2.198511021,2.141474993,2.194467817,2.161107617,2.162746373,2.88828504,2.584258706,3.250983122,2.747076614,3.052771291,2.846940444,2.914941424
9643,C21 H40 O,"9R,10S-Epoxy-6Z-heneicosene",325.3341,16.906986,1.753022313,1.776627098,1.841165201,1.896780786,1.785917277,1.871861421,1.80913031,-0.660748743,-0.754850228,-0.548487322,-0.685536479,-0.635870043,-0.681950171,-0.647079401
9644,<none>,<none> Esi+10.964022,536.8061,10.964022,1.389025655,1.145672149,1.703677645,1.306564811,1.600960202,1.178987774,1.581862621,0.672596367,0.570499233,0.794396458,0.666642097,0.68032357,0.596504345,0.721655698
9645,C21 H26 N4 O,C21 H26 N4 O,350.2062,10.962981,0.309612209,0.147224332,0.449973696,0.189820504,0.477149415,0.192092566,0.400931558,0.502029145,0.40381178,0.619200739,0.309908501,0.703590714,0.365306628,0.59017919
9646,C22 H44 N O8 P,PS(P-16:0/0:0) Esi+12.928971,498.3064,12.928971,0.439504475,0.06133527,0.852811466,0.424064743,0.497698955,0.243188013,0.543574933,0.271291646,0.068126737,0.513663819,0.277364873,0.271861329,0.168261052,0.337719266
9647,C21 H35 F7 O2,"Octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester",452.254,14.180978,0.31481114,0.200763604,0.576569731,0.353230809,0.304099231,0.567942282,0.202848642,0.233246989,0.152604842,0.329451655,0.256524121,0.184984885,0.328036772,0.172132523
9648,C45 H77 O7 P,"PA(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.772966",759.5147,14.772966,0.403730744,0.541280675,0.15274065,0.544254635,0.244755333,0.434434771,0.315620568,-0.335771367,-0.50572449,-0.133020273,-0.375333344,-0.296655042,-0.333308538,-0.337359243
9649,C11 H18 N2 O7,N-Succinyl-L-diaminopimelic acid Esi+5.6109967,290.1135,5.6109967,0.191381532,0.186897921,0.297575033,0.140219952,0.269790938,0.145351981,0.175734362,0.054578241,0.032305729,0.081148956,0.060495677,0.039634344,0.084343429,0.035387527
9650,C17 H28 N6 O6,His Glu Lys,412.2063,9.439973,0.044352356,0.405954034,0.38371758,0.130105782,0.008806527,0.049376858,0.096762405,0.037481569,-0.266096735,0.39964516,0.081629342,-0.035662788,0.113565568,-0.011572588
9651,C11 H12 O5,"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone Esi+3.4609988",224.0665,3.4609988,1.25873487,1.164528279,1.37588766,1.250456929,1.268288894,1.481326477,1.145055045,1.256867248,1.193836477,1.332061853,1.273325294,1.246245614,1.375499259,1.18038082
9652,C36 H64 O5,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi+16.229002",576.4753,16.229002,2.033568997,2.162292619,1.828364359,2.085544243,1.958039276,2.085329301,1.970591692,-1.749486865,-1.97758655,-1.477367942,-1.729916857,-1.778424705,-1.746747891,-1.751252782
9653,C34 H59 N3 O9,Enniatin B4,675.3988,13.677001,1.111473447,0.990147293,1.254497166,1.105540658,1.134905859,0.994685809,1.184385555,1.266711644,1.127330636,1.43299074,1.262392879,1.249555148,1.14480384,1.345310096
9654,<none>,<none> Esi+11.659982,479.8184,11.659982,1.488826282,1.479124294,1.49449697,1.50442015,1.429317451,1.475222743,1.523203675,0.79004525,0.825243498,0.748054357,0.802828357,0.7447341,0.803301199,0.781498651
9655,C19 H30 N7,C19 H30 N7,356.2496,12.2990055,0.851871504,0.726872323,0.801872838,0.874815543,0.66133885,0.666527037,0.82359873,-0.321701253,-0.355384492,-0.281517739,-0.299685476,-0.34512416,-0.307938587,-0.33057455
9656,C25 H53 N21 O2 P,C25 H53 N21 O2 P Esi+8.551019,710.4418,8.551019,0.477813691,0.704219829,0.108982525,0.459633705,0.357686889,0.71823572,0.287373623,0.202347236,0.3461245,0.030823483,0.240885558,0.123764317,0.36628141,0.096652835
9657,C22 H38 O9,C22 H38 O9 Esi+9.885008,446.2516,9.885008,1.500601534,1.356184262,1.685582194,1.353818011,1.622161822,1.411310563,1.54454514,1.896043411,1.706445614,2.122230257,1.811411279,1.993575471,1.798979744,1.958623933
9658,C36 H76 Cl2 N2 O2 S2,C36 H76 Cl2 N2 O2 S2,702.4726,12.52598,1.629437171,1.518178983,1.378210293,1.50482638,1.438199257,1.497580228,1.483205773,2.079834115,2.117044965,2.035442223,2.087191144,2.046767478,2.141841754,2.039855505
9659,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+11.118993,508.2647,11.118993,1.291363214,1.139032524,1.47172364,1.242554764,1.282165921,1.417522203,1.22939381,1.362266268,1.196547912,1.55996536,1.427263998,1.262897509,1.628822359,1.190407736
9660,C18 H32 O6,"2,3-dinor Thromboxane B1 Esi+10.680013",344.2149,10.680013,1.283277029,1.124531821,1.39846609,1.002083104,1.466855246,0.960602543,1.473460168,1.557777645,1.353231555,1.801797543,1.297343332,1.918285152,1.238962594,1.763329455
9661,C22 H41 N O4,AX 048 Esi+8.624017 :1,405.2817,8.624017,1.151802827,1.198268769,1.198702492,1.261418412,1.01241098,1.377163702,1.035550792,-0.769592359,-0.697346079,-0.855780904,-0.842198019,-0.67308317,-0.743282052,-0.786555583
9662,C35 H10 N3 O14 P,C35 H10 N3 O14 P Esi+14.079034,726.9906,14.079034,1.726855062,1.763851877,1.769163602,1.706215053,1.829845432,1.831880088,1.735832541,0.928215191,0.976640943,0.870444118,0.92633462,0.912259608,0.984648066,0.891830837
9663,C22 H37 N O,"N,N-dimethyl arachidonoyl amine Esi+9.863018",331.2917,9.863018,0.578762264,0.51409451,0.740104453,0.390120734,0.822428758,0.578603622,0.684657649,-0.229031318,-0.162280842,-0.308663465,-0.186080597,-0.298397015,-0.197645657,-0.24926681
9664,C20 O22 P,C20 O22 P,622.8626,6.9910064,1.403759217,1.313215519,1.401361097,1.219586067,1.558838935,1.278972815,1.399735959,0.706824687,0.64490479,0.780694037,0.573864489,0.877019705,0.573675058,0.792671158
9665,C28 H52 O6,C28 H52 O6 Esi+16.27594,484.3747,16.27594,0.607594712,0.698294006,0.25851041,0.439993124,0.481225276,0.268265774,0.578283148,-0.560906197,-0.756676136,-0.327356094,-0.385953006,-0.764548184,-0.324093555,-0.713588032
9666,C23 H42 O5,1-Oleoyl-2-acetyl-sn-glycerol Esi+9.739992,397.2983,9.739992,0.850979841,0.788649558,0.910594626,1.002365543,0.67157478,0.83839972,0.811404781,-0.601468677,-0.493245165,-0.730577429,-0.653503124,-0.554839499,-0.483611805,-0.677455345
9667,C23 H25 N2,Malachite green Esi+4.8989925,328.196,4.8989925,0.875965419,1.227130206,0.278848994,0.865832967,0.8447156,0.948039924,0.805735165,-1.051108031,-1.563909247,-0.439345177,-0.961202149,-1.143089608,-1.205839338,-0.951347058
9668,C37 H65 N O14,Erythromycin E Esi+14.725023,764.4698,14.725023,0.595380764,0.54580783,0.578814536,0.486004232,0.600741146,0.43918444,0.609419072,-0.50074709,-0.461114335,-0.548028272,-0.367922291,-0.698269313,-0.337371019,-0.606081662
9669,C15 H30 N4 O5,Ser Leu Lys,345.2139,6.3870053,1.622010303,1.639325017,1.640927608,1.653367815,1.654736802,1.727373315,1.613074286,-1.893815516,-1.971291332,-1.801388227,-1.859243124,-1.965969145,-1.810569314,-1.947487409
9670,C21 H35 N O4,C21 H35 N O4 Esi+9.451011,365.2562,9.451011,0.25791158,0.325681441,0.251448653,0.287534465,0.342428814,0.304228576,0.314422235,0.321077565,0.376267049,0.25523748,0.343824857,0.259933879,0.3264863,0.317590355
9671,C25 H48 O6 P,C25 H48 O6 P,475.3189,11.076017,1.849737184,1.886906672,1.418917662,1.783270617,1.538023656,1.674726943,1.677345394,3.370055814,3.676610006,3.004342042,3.476499918,3.183389201,3.38356591,3.361345358
9672,C24 H40 O5,"3a,7b,12b-Trihydroxy-5b-cholanoic acid Esi+8.906005",425.2983,8.906005,0.249383919,0.231013739,0.329290613,0.24262483,0.251576499,0.122958273,0.312366481,-0.210044848,-0.187351838,-0.237117211,-0.205498155,-0.259833461,-0.107357442,-0.276251202
9673,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3) Esi+15.99803",502.4017,15.99803,0.057867,0.002250637,0.206950577,0.099876927,0.010616967,0.124747139,0.040675072,-0.289727801,-0.521325058,-0.013436336,-0.237778388,-0.401285219,-0.238469334,-0.322776023
9674,C50 H87 O10 P,"PG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.548024",878.604,13.548024,0.647302118,0.638345148,0.381612381,0.651392914,0.353448369,0.501991035,0.579550158,-0.262862056,-0.342380796,-0.167997594,-0.254203123,-0.291523844,-0.209315072,-0.297385769
9675,C20 H47 N9 O6 P,C20 H47 N9 O6 P Esi+12.646977,540.3385,12.646977,1.913693079,2.082936862,1.737233106,1.9949891,1.837633595,1.99191806,1.897508909,0.886734808,0.987974227,0.765957956,0.914638869,0.838360226,0.916918607,0.8672742
9676,C23 H24 O3,Callytriol C Esi+14.656005,370.1555,14.656005,0.69815081,0.490111383,0.992340308,0.664643372,0.773451327,0.694022095,0.702825875,0.438181448,0.361010075,0.530245543,0.454692999,0.405536181,0.477547298,0.412800835
9677,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+15.156986",280.2398,15.156986,1.622121304,1.695154547,1.446119095,1.605385698,1.62944952,1.655279067,1.599665324,-1.281915637,-1.436397513,-1.097621468,-1.31155477,-1.226037718,-1.275828555,-1.285840202
9678,C24 H42 O4,"5beta-Cholane-3alpha,7alpha,23,24-tetrol",394.313,14.18799,0.426935908,0.689736123,0.033510068,0.378636679,0.319277358,0.390332072,0.346943796,-0.211424542,-0.365755709,-0.027310168,-0.201368499,-0.241150207,-0.249310316,-0.186998188
9679,C26 H55 N9 O3,C26 H55 N9 O3,541.4419,15.037043,1.413321137,1.546638706,1.20544241,1.402400011,1.373286728,1.323372562,1.406844419,-1.281982347,-1.605998254,-0.895437054,-1.265069439,-1.318934465,-1.079523583,-1.412514972
9680,C17 H30 N6 O4,Val His Lys Esi+10.756011,382.232,10.756011,1.596930531,1.464122517,1.818306512,1.690067444,1.650029324,1.491920729,1.638338443,1.851767622,1.551770659,2.209658737,1.932560188,1.767388662,1.598282498,2.015198821
9681,C21 H51 N20 O4,C21 H51 N20 O4 Esi+13.597973,647.44,13.597973,0.722832584,0.972793284,0.385215434,0.682950695,0.669333958,0.883413845,0.648880859,0.631376678,0.813921973,0.413603344,0.664273272,0.564173016,0.765977129,0.544594808
9682,C20 H40 N2 O12 S5,C20 H40 N2 O12 S5 Esi+12.946029,660.117,12.946029,0.271334007,0.316081592,0.043644541,0.213246604,0.252117615,0.287226289,0.12092884,-0.07397732,-0.124024886,-0.014271451,-0.045870074,-0.13310464,-0.106044359,-0.053302518
9683,C23 H49 N O5 P S,HEPC Esi+7.5870075,499.3348,7.5870075,0.694597181,0.500028241,0.798370536,0.697003583,0.537305106,0.793875572,0.572977615,0.479104004,0.416480388,0.55381288,0.52593426,0.386798593,0.597202478,0.402961567
9684,C18 H26 O5,alpha-Zearalanol,344.1579,11.260988,0.293380193,0.268613036,0.33692835,0.469775305,0.112328214,0.372903899,0.297649534,0.244389914,0.253441717,0.233591273,0.372344832,0.063767596,0.268097665,0.229104654
9685,C6 H13 N O3,4-Hydroxyisoleucine Esi+0.8399975,147.0892,0.8399975,0.07694656,0.381459953,0.447640945,0.329508204,0.173304602,0.573266985,0.312680905,-0.025431061,-0.111004858,0.076656977,-0.030373766,-0.020686525,-0.145545183,0.052010938
9686,C12 H18 N5 O5,"1,7-Dimethylguanosine",329.1526,6.272989,0.12092947,0.097560398,0.039410996,0.297494588,0.347861859,0.174568926,0.006456435,0.126662803,0.142369181,0.10792537,-0.04256713,0.350142147,0.22743859,0.061688941
9687,C19 H O22,C19 H O22 Esi+13.874019 :1,580.8972,13.874019,1.94465914,2.017491468,2.010743266,2.012725453,2.024869612,2.130103365,1.953564905,1.050197271,1.115953551,0.971751181,1.076629304,0.997576838,1.136522614,0.994540141
9688,C40 H73 O10 P,"PG(16:0/18:3(6Z,9Z,12Z)) Esi+12.448979 :2",743.4881,12.448979,1.41637543,1.369252721,1.500252207,1.381293587,1.427232451,1.401743987,1.480243439,0.765608389,0.794013508,0.731721581,0.786282597,0.713377665,0.815500281,0.733441248
9689,C36 H36 N8 O5,C36 H36 N8 O5,660.2813,11.666014,0.109089621,0.259399516,0.183927902,0.018816203,0.13786374,0.156239616,0.00538069,-0.057458935,-0.121909989,0.019430042,0.05345904,-0.20862874,-0.080551658,-0.042570206
9690,C11 H18 O4,C11 H18 O4 Esi+4.75,214.1221,4.75,0.473087481,0.59441283,0.051004623,0.631340764,0.084260985,0.634738628,0.218236214,-0.283287668,-0.480943907,-0.047487243,-0.398083701,-0.130747532,-0.393343782,-0.212330437
9691,C29 H48 O2,C29 H48 O2 Esi+16.299025,426.3707,16.299025,1.022070308,1.05514514,0.970645193,0.988042462,1.037880658,1.192555347,0.941163854,-0.825482037,-0.803246041,-0.85200919,-0.751133866,-0.920529803,-0.893917021,-0.781359481
9692,C23 H47 N O2,N-(2-hydroxyethyl)henicosanamide Esi+13.519025,369.3604,13.519025,1.724005086,1.749041427,1.563931341,1.695354804,1.658042087,1.771651914,1.60910149,-1.240502189,-1.321230734,-1.144194451,-1.288639981,-1.178449464,-1.379212845,-1.151070319
9693,C15 H5 Cl2 O12 P S5,C15 H5 Cl2 O12 P S5 Esi+12.327966,636.7664,12.327966,0.068396409,0.211716724,0.243343502,0.062466299,0.118404921,0.007483725,0.041774813,0.028034763,-0.056071618,0.128372201,0.031836147,8.33E-06,0.04504207,0.017069526
9694,C24 H48 N3 O S2,C24 H48 N3 O S2 Esi+14.246025,458.3226,14.246025,0.117912797,0.320342047,0.255223872,0.015263553,0.137141301,0.053025782,0.071365093,-0.012756244,-0.221281143,0.236010301,0.054349145,-0.107708584,-0.025816904,-0.004335555
9695,C37 H77 N25 O5,C37 H77 N25 O5,951.6464,13.712966,0.66403468,0.701574761,0.518011141,0.808173597,0.520947999,0.746501135,0.582406112,-0.354947196,-0.403808237,-0.296656832,-0.334383813,-0.412672584,-0.37301945,-0.343295349
9696,C17 H32 N2 O,C17 H32 N2 O,280.2511,10.604985,2.264408333,2.396219803,2.264049476,2.394711904,2.393972288,2.542024656,2.26644978,-1.163830017,-1.263040798,-1.045473296,-1.180043856,-1.138999393,-1.236299773,-1.117106096
9697,C16 H23 N5 O,Tegaserod Esi+0.87699914,301.1893,0.87699914,0.373492214,0.199109505,0.698925059,0.080268637,0.837907494,0.032249542,0.742435494,0.284390707,0.177256813,0.412199563,0.208217856,0.386506732,0.149558661,0.371321895
9698,C27 H41 F O3,"(20S,24S)-20-fluoro-1?,24-dihydroxy-26,27-cyclovitamin D3 / (20S,24S)-20-fluoro-1?,24-dihydroxy-26,27-cyclocholecalciferol",432.3077,12.507015,0.554030862,0.492480083,0.485428671,0.691761826,0.220497323,0.425964218,0.587288979,-0.288646961,-0.335014224,-0.23333163,-0.37325765,-0.159811569,-0.275911026,-0.296858288
9699,C19 H30 D3 N3 O8 S,4-hydroxy Nonenal Glutathione-d3 Esi+8.406005,466.2174,8.406005,0.176193267,0.242428445,0.039155676,0.032579678,0.357037079,0.132726769,0.173755969,0.08353552,0.212786116,-0.070658174,-0.122314067,0.443092213,0.048789493,0.105937563
9700,C52 H107 N4 O S5,C52 H107 N4 O S5 Esi+14.309026 :1,963.7069,14.309026,0.275799888,0.251447572,0.162046667,0.322304742,0.095176703,0.001310227,0.314954437,-0.096892734,-0.107897443,-0.08376431,-0.08226165,-0.131965077,0.036680733,-0.18301247
9701,C15 H21 N O,a-Pyrrolidinopentiophenone,231.1613,6.140993,0.433079605,0.438986854,0.319884891,0.248165431,0.515656762,0.240581326,0.458977244,-0.125249802,-0.150477638,-0.095153435,-0.091188755,-0.173633491,-0.095297491,-0.144561159
9702,C24 H49 D4 N O6 P,Lyso-PAF C-16-d4,486.3792,13.325986,1.442448514,1.592277092,1.070132761,1.253451126,1.581622754,1.535924147,1.397516762,-0.815047295,-0.973071662,-0.626526998,-0.782947616,-0.870351411,-0.869637992,-0.779850661
9703,C32 H61 O8 P,PA(17:1(9Z)/12:0) Esi+13.827954,603.41,13.827954,1.907904675,1.964535363,1.791056907,1.824776611,1.965621798,1.926652578,1.91257106,1.835347932,1.863221374,1.802095405,1.761544896,1.912996135,1.840767126,1.831853978
9704,C43 H65 N2 O3,C43 H65 N2 O3,657.5011,14.094975,0.434502537,0.266056039,0.537314369,0.286720125,0.577453089,0.064739498,0.563668804,0.179787507,0.148188212,0.217484912,0.157234764,0.215101502,0.051644645,0.262405931
9705,C38 H24 Cl2 N23 O3 S,C38 H24 Cl2 N23 O3 S,952.1519,13.656986,0.710884628,0.625181513,0.688827327,0.776801455,0.409372408,0.495988459,0.7355268,-0.256874928,-0.264927735,-0.247268072,-0.277827611,-0.251352276,-0.18119662,-0.305667522
9706,C26 H44 O9,Mupirocin Esi+11.282977,500.3002,11.282977,1.662080265,1.507439854,1.836808246,1.619737465,1.676312501,1.645984607,1.675377924,1.744922244,1.60549246,1.911259529,1.749857615,1.718420271,1.793336156,1.713708011
9707,C31 H67 N2 O8,C31 H67 N2 O8,594.4858,16.365978,1.101169395,1.20462923,0.835067247,1.097875315,1.01168489,1.175035708,0.955243538,-0.984871929,-1.273186447,-0.640917768,-1.017648434,-0.959425555,-1.133027565,-0.889350533
9708,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+15.075979",522.4273,15.075979,0.931243622,1.059548748,0.658892649,1.027277944,0.750995296,0.951339123,0.846488336,-0.510477201,-0.68900184,-0.297500439,-0.522839621,-0.510793017,-0.546674772,-0.487139294
9709,C29 H57 O8 P,PA(12:0/14:0) Esi+12.808031,586.3606,12.808031,0.543453481,0.823320415,0.118193676,0.449615125,0.340007655,0.583495812,0.351547067,-0.300016044,-0.550723862,-0.000926017,-0.274630362,-0.270382225,-0.401258777,-0.234741125
9710,C40 H50 N8 O10,Dermorphin,802.3696,14.133038,0.324059241,0.179242042,0.428326229,0.346752833,0.24436654,0.451864942,0.232044178,0.204004895,0.135901912,0.285250559,0.271564386,0.132664917,0.279960553,0.155033484
9711,C14 H16 O5,1'-Acetoxyeugenol acetate Esi+9.928976 :1,264.0972,9.928976,0.182327805,0.012207082,0.507388367,0.195991074,0.244966821,0.198221287,0.210145634,0.087090726,0.001991446,0.188612675,0.063203362,0.112667935,0.113525287,0.070047392
9712,C23 H40 O7,1(3)-glyceryl-PGF2? Esi+11.75,428.277,11.75,1.80791513,1.850827078,1.846905827,2.025958627,1.664112276,1.961933332,1.773360645,1.458064579,1.328475036,1.612662631,1.56172683,1.293999566,1.51585014,1.420808099
9713,C17 H35 N O3,C17 H35 N O3 Esi+10.33103,301.2613,10.33103,0.064160282,0.050784383,0.196307661,0.000541904,0.147880274,0.177326894,0.217504928,0.039837645,-0.08461337,0.188305523,-0.012332417,0.138948424,-0.139329848,0.155353529
9714,C25 H42 N15 O4 P,C25 H42 N15 O4 P,647.3279,8.681022,0.371546418,0.389545933,0.19432994,0.182910603,0.506412729,0.434485056,0.276019935,0.275887119,0.461300858,0.054691782,0.275927916,0.290479525,0.460162645,0.157077899
9715,C28 H46 O,(24S)-Ergost-4-en-3-one,398.3501,12.300022,1.617041049,1.533248605,1.36426301,1.526320366,1.391175935,1.503897593,1.440544085,-0.725852204,-0.755654243,-0.690298894,-0.713113189,-0.739586286,-0.785365368,-0.687481874
9716,C34 H44 O16,4'-Cinnamoylmussatioside,725.2897,12.0380125,1.128294101,1.12937084,1.060261704,1.136161523,0.988246368,1.051299852,1.076707996,-0.581821836,-0.580043547,-0.583943303,-0.666843516,-0.462860293,-0.630512705,-0.550429039
9717,C24 H46 O4,Axillarenic acid Esi+12.830015,415.3656,12.830015,0.981022334,0.998810774,0.828677392,0.857734807,1.072526719,0.832770234,1.018320851,-0.990724352,-1.186132516,-0.75760584,-0.973684342,-1.044742394,-1.043999982,-0.95637559
9718,C24 H30 O6,C24 H30 O6,414.2675,11.291014,0.361510135,0.36781473,0.203260736,0.271357799,0.367742305,0.482011873,0.166273449,-0.099485158,-0.095929518,-0.103726973,-0.076780805,-0.143202451,-0.183191888,-0.045516345
9719,C28 H61 N O6 P,C28 H61 N O6 P Esi+14.956038,536.4067,14.956038,1.531507705,1.719986014,1.342629241,1.605490143,1.527414184,1.650055018,1.482406445,-1.340301737,-1.591675324,-1.040417458,-1.298792706,-1.421490021,-1.344983435,-1.337283274
9720,C28 H40 N7 O17 P3 S,Benzoyl-CoA Esi+14.184024,893.1211,14.184024,1.084373516,1.032408007,1.112892221,1.292237604,0.837063289,1.044322444,1.10912715,-0.619819714,-0.610785036,-0.630597925,-0.647904862,-0.606303077,-0.540759346,-0.670792846
9721,C20 H28 N7 O9 P S,Biotinyl-5'-AMP,573.1419,14.574968,1.014176186,0.827829398,1.27454698,1.02936075,1.062712726,0.786031938,1.163481863,0.445258857,0.374666636,0.529474139,0.412240966,0.478363871,0.305645742,0.535272576
9722,C23 H36 O8,3''-HydroxyPravastatin Esi+10.211016,457.2674,10.211016,0.484674435,0.587665724,0.309871654,0.598531387,0.4453481,0.172803159,0.672558132,-0.343898504,-0.462757259,-0.202102096,-0.324421868,-0.390060358,-0.149992102,-0.468917106
9723,C13 H37 Cl N10 O4,C13 H37 Cl N10 O4,432.2678,8.720975,0.405650078,0.538209417,0.232165651,0.443536828,0.319104595,0.519432109,0.304508653,0.1505761,0.268518062,0.009873409,0.170255436,0.123067038,0.23678336,0.094995103
9724,C44 H64 N6 O11,C44 H64 N6 O11,852.4635,12.976015,1.148497111,0.81774751,1.663105186,1.07105141,1.291006552,0.90820704,1.331252219,0.511436496,0.38360174,0.663941118,0.50614964,0.519372569,0.432988885,0.562014562
9725,C12 H18 O4 S2,Isoprothiolane,290.0635,0.8880004,0.653505505,0.590509247,0.713835265,0.488435794,0.798710656,0.534235964,0.733361021,1.106408826,0.866524115,1.392587079,0.978334911,1.264981337,0.883314789,1.250245771
9726,C17 H27 N O,Cryptophorine Esi+9.719977,278.2353,9.719977,1.055454405,1.318385133,0.774188631,1.036774237,1.217415587,1.366839424,0.985598285,-0.337146283,-0.430242354,-0.226084304,-0.32558981,-0.353229352,-0.4125203,-0.288549877
9727,C20 H34 O7,Oleandolide Esi+9.930023,408.2127,9.930023,1.377687466,1.315046103,1.442843347,1.525995604,1.196280011,1.557460512,1.219714502,2.498325462,2.419649174,2.592184895,2.717791614,2.152133045,2.816022276,2.293494622
9728,C36 H53 N7 O6,Telaprevir Esi+13.629967,678.3956,13.629967,1.322371843,1.247566965,1.495137651,1.330735362,1.365991178,1.28431534,1.381918411,1.001154868,0.901521395,1.120015853,1.000150223,0.996139581,0.935084125,1.04375311
9729,C14 H24 O3,L-Menthyl acetoacetate Esi+12.723007,240.1722,12.723007,1.944020224,1.91048793,2.193613999,1.952411851,2.188093307,1.906550603,2.165699523,1.254724807,1.11015896,1.427189326,1.198936588,1.335105836,1.220007616,1.277108259
9730,C8 H20 N5 O3 P,C8 H20 N5 O3 P,265.1263,4.616012,0.097024003,0.101037623,0.011351011,0.012531823,0.059224789,0.10380555,0.003748626,-0.187781526,-0.408775898,0.075860884,-0.255707373,-0.099851401,-0.435824519,-0.02785907
9731,C43 H72 O5,"DG(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] Esi+14.689958",685.5669,14.689958,2.07497768,2.166292736,1.809320176,2.112693361,1.972697671,2.132741098,1.983719027,-1.991158853,-2.204158916,-1.737053515,-1.995967584,-1.977821595,-2.069917287,-1.940380389
9732,C39 H63 N5 O12,Onnamide A Esi+13.8100395 :1,810.4741,13.8100395,1.088879193,0.824743652,1.491357376,1.000555741,1.24556944,0.977840383,1.209389568,1.316905759,1.070229283,1.611186467,1.25536382,1.387399681,1.146213482,1.426957358
9733,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+14.839045",462.3686,14.839045,0.211893869,0.378081624,0.170185878,0.084668543,0.21825477,0.275605077,0.166663868,-0.116684052,-0.256871774,0.050557441,-0.104194289,-0.134323311,-0.208335005,-0.057593306
9734,C34 H50 O12,Thapsigargin Esi+13.825988,650.3308,13.825988,0.998012964,0.869634415,1.11581925,1.149192247,0.759149011,1.134446827,0.899231336,0.896114397,0.797277232,1.0140254,0.942855266,0.818841822,1.037095079,0.805218957
9735,C38 H48 N2,Hexafluronium Esi+13.634009 :1,531.375,13.634009,1.659877622,1.554170054,1.663770146,1.630755438,1.648104254,1.657016268,1.656163327,1.895665756,1.734190713,2.08830265,1.861200849,1.930664982,1.854928937,1.921930285
9736,C22 H32 F2 O2,"2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate",366.2381,12.179998,1.311456844,1.241998353,1.223613355,1.2871522,1.214273087,1.278075543,1.21420755,-0.585896037,-0.590917348,-0.579905701,-0.524748234,-0.657880233,-0.577055259,-0.591596012
9737,C16 H28 N6 O4,Pro Arg Pro Esi+9.816993 :1,368.2174,9.816993,2.355412177,2.215369342,2.586560784,2.262738918,2.602919043,2.14092961,2.561859021,2.89295445,2.556280302,3.294600801,2.598450015,3.287549677,2.567651756,3.102689081
9738,C23 H6 N2 O23,C23 H6 N2 O23 Esi+10.396978 :1,677.9354,10.396978,0.484478875,0.633780105,0.277257559,0.387991806,0.494297576,0.642571148,0.382219168,0.256322091,0.363601874,0.128339191,0.262747064,0.220647034,0.386980557,0.172081765
9739,C35 H67 O10 P,PG(17:1(9Z)/12:0) Esi+16.664007,678.4411,16.664007,1.856548518,1.873144584,2.001381226,1.829064527,2.107747422,1.98052731,1.930909782,-2.910703685,-3.101066509,-2.683604175,-2.776219811,-3.142540594,-3.081064273,-2.800865937
9740,C3 H8 Cl2 N7 P,C3 H8 Cl2 N7 P,242.996,1.2469984,0.639928185,0.382880811,0.895066544,0.593515951,0.689120084,0.529905152,0.696496048,0.272998088,0.127190515,0.446943966,0.225709034,0.350185293,0.212192497,0.312201693
9741,C18 H34 N7,C18 H34 N7,348.2877,13.520997,0.935207319,1.048051368,0.339355475,0.868910656,0.730880981,0.977950451,0.773403899,-0.307609525,-0.4798778,-0.102096496,-0.285942242,-0.332313114,-0.358821742,-0.274591122
9742,C28 H48 O4,6-Deoxodolichosterone Esi+14.478023,448.3534,14.478023,0.057388087,0.185678922,0.370165182,0.110220989,0.253302476,0.016276789,0.138482712,0.046325895,-0.128108413,0.254422963,-0.040550487,0.172762624,0.006144447,0.072232354
9743,C55 H85 Cl N10 S,C55 H85 Cl N10 S,950.6424,8.18799,0.386477096,0.378917723,0.651377728,0.482898374,0.398175905,0.273731752,0.508246474,-0.16909586,-0.204936309,-0.126338832,-0.23224205,-0.085004803,-0.157256047,-0.176729423
9744,C16 H28 O6,Perilloside C Esi+9.198982,316.1838,9.198982,0.257562818,0.41043245,0.035073401,0.29853393,0.109436801,0.34217546,0.133541156,-0.237746711,-0.424078445,-0.015456221,-0.264488855,-0.161627508,-0.376856216,-0.148057688
9745,C36 H75 N25 O5,C36 H75 N25 O5 Esi+13.032975,937.6359,13.032975,0.550306363,0.572711303,0.225263872,0.551676309,0.271610775,0.399840076,0.503037512,-0.231373907,-0.318184455,-0.127810446,-0.197025847,-0.302466834,-0.183481425,-0.262251955
9746,C29 H35 N18 O4,C29 H35 N18 O4,698.3307,15.186022,0.043663345,0.267619131,0.342907741,0.055731684,0.100947963,0.143136654,0.14344849,-0.024098062,-0.150731758,0.126973716,-0.01900897,-0.017851416,-0.057902696,-0.002302969
9747,C42 H85 O9 P,PG(O-16:0/20:0),764.5834,15.653027,2.280263548,2.421238149,2.242428491,2.494038657,2.322028459,2.520511124,2.309207153,-1.097663455,-1.233404963,-0.935726217,-1.127053594,-1.05509419,-1.102708193,-1.094410926
9748,C15 H24 O7,"Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate Esi+5.635007",316.15,5.635007,0.087525998,0.239847602,0.116804468,0.324872229,0.213399976,0.397414372,0.107038712,0.033970777,0.207211108,-0.172701899,0.307714892,-0.387822056,0.422199111,-0.216334333
9749,C24 H48,1-Tetracosene Esi+13.458007,353.4018,13.458007,1.342941941,1.508616007,1.063417014,1.302458927,1.413302298,1.66957744,1.286511429,-0.497988102,-0.630099214,-0.340381863,-0.48886583,-0.491578712,-0.602072029,-0.43088136
9750,C31 H67 N6 O11 P,C31 H67 N6 O11 P,730.461,12.916014,1.390516015,1.575010265,1.114133913,1.388902833,1.327104201,1.440632729,1.37031338,0.907507213,1.090180621,0.689581043,0.920453263,0.8697512,0.991992328,0.853036548
9751,C17 H34 O3,17-hydroxy-heptadecanoic acid Esi+9.784995,303.277,9.784995,1.522963534,1.684786978,1.254013105,1.612915633,1.403271917,1.729634134,1.355267233,-0.540604895,-0.615460185,-0.451303849,-0.573625055,-0.505558816,-0.598335974,-0.503383542
9752,C44 H77 O8 P,"PA(19:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi+14.791993",764.5248,14.791993,0.061032758,0.001496487,0.363938048,0.372721665,0.21302476,0.261377389,0.015816409,0.028752864,-0.046903402,0.119009462,0.306521441,-0.357096413,0.214262335,-0.090851926
9753,C18 H29 N8,C18 H29 N8,357.2502,8.255988,0.338266202,0.209130701,0.305199586,0.110533994,0.712242892,0.064824861,0.499875855,0.146310868,0.161235657,0.128505856,-0.049065064,0.420183735,0.013872064,0.231699044
9754,C29 H33 Cl N2 O2,Loperamide,476.2217,7.2449956,1.313466023,1.295018049,1.186318712,1.228369293,1.269799964,1.43965634,1.163031704,-1.688735576,-1.751149783,-1.614276522,-1.775056368,-1.558408448,-1.940328068,-1.526524627
9755,C24 H40 Cl N7 O,C24 H40 Cl N7 O,477.2978,7.7060227,0.330301045,0.536470493,0.024638195,0.337685854,0.13758569,0.606982361,0.074757448,0.105633264,0.299651868,-0.125827526,0.139816045,0.037131544,0.325057355,-0.035837531
9756,C29 H55 N5 O7,C29 H55 N5 O7,585.4072,9.541014,0.565140517,0.435479531,0.617249864,0.316674763,0.659132888,0.680854961,0.444353237,0.278253733,0.267713108,0.290828514,0.232840871,0.310557021,0.390572744,0.205837529
9757,C22 H41 N O2,"Anandamide (20:2, n-6) Esi+14.117976 :1",351.3137,14.117976,0.610023116,0.72345213,0.199595729,0.417385419,0.595174807,0.620862936,0.457324048,-0.45541117,-0.594932365,-0.288964831,-0.420083689,-0.515048251,-0.567712275,-0.38300651
9758,C27 H48 O9,"27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol Esi+12.336",516.3311,12.336,0.50951811,0.310609499,0.706066754,0.401571385,0.561306976,0.414648157,0.605120976,0.553519555,0.353576642,0.792047942,0.525667124,0.587607198,0.484997043,0.597698543
9759,C32 H47 N O5 P S,C32 H47 N O5 P S,588.3041,8.560022,0.3591017,0.379338443,0.23515886,0.372099188,0.289770509,0.409262277,0.250769374,-0.195907201,-0.241603548,-0.141392261,-0.241969478,-0.155074153,-0.242365354,-0.165953918
9760,C42 H68 O14,Jujubasaponin VI Esi+13.833007,796.4589,13.833007,0.537916664,0.590255733,0.305082634,0.525564809,0.382924239,0.573092027,0.360410117,-0.715489545,-0.824091923,-0.585928814,-0.70426029,-0.742004755,-0.878798748,-0.610198086
9761,<none>,<none> Esi+14.236027 :1,776.0479,14.236027,0.764286208,0.984900012,0.476951965,0.781770346,0.663034345,0.686040621,0.776900144,-0.461187484,-0.56642572,-0.335640114,-0.517667421,-0.391921418,-0.360536838,-0.526080663
9762,C12 H20 O2,"Isopropyl 2,4-dimethyl-2E,4E-heptadienoate Esi+8.343012",213.172,8.343012,0.958694252,1.230950731,0.546527777,0.946515926,0.939123478,1.292050946,0.876744296,-0.636139027,-0.789989129,-0.452598555,-0.64122879,-0.617751422,-0.782002002,-0.542095793
9763,C24 H32 N4 O4,Phe Phe Lys Esi+9.873011,457.2678,9.873011,1.195741327,1.223230804,0.923172175,1.193804765,0.974219548,0.940263604,1.232593247,-0.905522623,-0.987822778,-0.807339981,-0.978270991,-0.793925385,-0.785031833,-0.983207474
9764,C16 H22 O5,Tocopheronic acid Esi+7.313991,294.1444,7.313991,0.668448073,0.582277845,0.713306996,0.646084522,0.630835955,0.673363713,0.588719076,1.329650524,1.332438189,1.326324888,1.374377325,1.241343634,1.484351152,1.229909329
9765,C43 H68 Cl N O11,Pimecrolimus Esi+13.000981,808.4371,13.000981,1.214775663,0.929305304,1.692919772,1.352979007,1.162086988,1.25064708,1.251665642,0.55309157,0.435047305,0.693916307,0.582632009,0.51154547,0.53242555,0.566415714
9766,C31 H62 N2 O3 S4,C31 H62 N2 O3 S4,638.3726,12.909006,1.644742536,1.51105511,1.617804702,1.599241198,1.510869695,1.475454882,1.640254029,1.701677594,1.601830858,1.820792998,1.738351508,1.628192991,1.592856159,1.771838782
9767,C27 H50 O5,C27 H50 O5 Esi+14.448979,454.3644,14.448979,0.707895225,0.909472575,0.249080986,0.731375845,0.548947467,0.544510731,0.691743396,-0.487289952,-0.846616617,-0.058619545,-0.522336772,-0.42581953,-0.473332414,-0.496288891
9768,C36 H56 O10,2a-Hydroxygypsogenin 3-O-b-D-glucoside,648.3859,14.977035,0.451580344,0.362845937,0.575343627,0.496211924,0.371827967,0.595756322,0.369638395,0.567860816,0.562403555,0.574371234,0.643311882,0.453449154,0.760977476,0.443351391
9769,C24 H49 N O4 S,N-docosanoyl taurine Esi+10.56299,469.3241,10.56299,0.441816303,0.451407464,0.421805763,0.490681036,0.385549541,0.320019349,0.433303347,-0.358221332,-0.367311768,-0.347376601,-0.311733939,-0.450284107,-0.258078398,-0.42278717
9770,C21 H47 N O3 P S,thio-Miltefosine,446.2851,8.37198,0.259862063,0.10037988,0.362867243,0.103478521,0.514908276,0.061418507,0.322697045,-0.13988236,-0.034735231,-0.26532104,-0.026622274,-0.30666791,-0.021407259,-0.216267623
9771,C22 H27 D5 O2,Docosahexaenoic Acid-d5,355.2555,11.090007,0.885044881,0.937830414,0.820702016,0.891646759,0.883029139,0.993802216,0.886336127,0.531718673,0.547329297,0.513095473,0.562232443,0.469047551,0.590785392,0.493636184
9772,C24 H51 N2 O7 P,C24 H51 N2 O7 P,510.3439,13.226012,1.415417397,1.487286988,1.308739068,1.459967012,1.210049911,1.586906493,1.297285978,0.904652732,0.955950101,0.843455872,0.957611455,0.81783702,1.024784541,0.827199329
9773,C24 H40 N6 O6,C24 H40 N6 O6 Esi+12.991967,508.3012,12.991967,1.986045727,1.834195306,2.014761232,1.862646439,2.079052598,1.878888387,2.005647606,2.406736642,2.203248042,2.649494972,2.23609803,2.670481545,2.38366516,2.421611676
9774,C26 H48 O5,Momordol Esi+14.385987,440.3502,14.385987,0.506228758,0.471415749,0.485838124,0.603128271,0.370091977,0.528837331,0.454722345,0.401020814,0.460544215,0.330010441,0.491296084,0.257577353,0.470433771,0.356267723
9775,C32 H30 O14,Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside),660.1449,10.443989,1.160280919,1.277508643,1.129700846,1.18374726,1.106758352,1.418149372,1.07010641,0.695802287,0.729603253,0.655478328,0.752630896,0.580610059,0.863063623,0.587962742
9776,C34 H65 Cl N P,C34 H65 Cl N P,553.4551,15.336968,0.805954404,0.807944354,0.690383864,0.80537038,0.783347023,0.546784291,0.945114098,0.816786957,0.864964075,0.759312501,0.840923627,0.824679922,0.609971285,0.950128641
9777,C3 H13 Cl N5 O3 S,C3 H13 Cl N5 O3 S,234.0426,1.3059999,0.021172279,0.221752882,0.348128311,0.086842073,0.125551572,0.039616053,0.023632239,-0.056767771,-0.244185038,0.16681774,-0.031345406,-0.08497628,-0.068512919,-0.049195242
9778,C18 O21 S,C18 O21 S Esi+8.827994,583.8648,8.827994,0.254706851,0.443760367,0.133082993,0.188481029,0.21339481,0.442080926,0.112783298,0.057369268,0.209452083,-0.124062861,0.048522316,0.043621246,0.198254312,-0.03346451
9779,C9 H14 O2,"3Z-Nonen-2,5-dione",154.0994,7.4909925,1.33333652,1.442956067,1.177296516,1.472824135,1.165833687,1.346800663,1.279146075,-0.519807694,-0.556516618,-0.476014592,-0.565870275,-0.461135811,-0.522643798,-0.517979153
9780,C18 H32 N6 O4,Leu His Lys Esi+11.253992,396.2495,11.253992,1.784471356,1.641570446,1.916932722,1.805156435,1.909597751,1.678907006,1.89799993,2.5084903,2.297648606,2.760020741,2.501309075,2.568368209,2.185967939,2.716432348
9781,C25 H30 O7,Lonchocarpol B Esi+12.150961,464.1818,12.150961,0.430242073,0.519758257,0.414060385,0.556891956,0.325367446,0.733584571,0.226033725,-0.472254697,-0.53992756,-0.391522158,-0.528919206,-0.355240109,-0.712651244,-0.317262186
9782,C28 H46 O5,Polyporusterone F Esi+14.443047 :1,462.3328,14.443047,0.933129835,0.972998853,0.700441905,0.781110012,0.995476386,0.790580671,0.906905733,-0.579460622,-0.647862469,-0.497858418,-0.448460438,-0.763853889,-0.456837159,-0.658520486
9783,C28 H53 N8 O,C28 H53 N8 O,517.4328,9.538982,0.008687009,0.304840044,0.234353331,0.016074707,0.100684984,0.206369945,0.148130826,-0.012392962,-0.074521512,0.061725307,0.009641324,-0.059399427,0.054185264,-0.055318398
9784,C28 H46 O4,Secasterone Esi+16.335985,446.3387,16.335985,0.425142928,0.329235133,0.581112027,0.460888511,0.456404158,0.31743526,0.501935319,-0.215957162,-0.178097309,-0.261123302,-0.216228548,-0.217735521,-0.196672268,-0.228390843
9785,C35 H56 N2 O6,3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone Esi+8.49099 :1,622.3893,8.49099,0.473046322,0.68455902,0.125287942,0.437634494,0.35869092,0.681588979,0.299453249,0.19333912,0.327289695,0.033538434,0.221867164,0.134335714,0.336528426,0.1010197
9786,C29 H N O15 P,C29 H N O15 P Esi+10.444001,633.9088,10.444001,0.567072388,0.715496054,0.39786278,0.460635805,0.577250177,0.692777318,0.494033386,0.290838793,0.389198226,0.173497716,0.304669989,0.254079053,0.404872826,0.217316852
9787,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester Esi+13.331037,394.2678,13.331037,1.758064311,1.906694196,1.608154101,1.769615516,1.924322,1.896651306,1.827625906,-1.035619822,-1.165780553,-0.880340353,-1.032632245,-1.014675281,-1.13625909,-0.970733978
9788,C12 H22 N7,C12 H22 N7 Esi+7.6719975 :1,264.1932,7.6719975,0.512942759,0.362087468,0.689395744,0.458598134,0.63787413,0.440545195,0.563141428,-0.337740199,-0.23603279,-0.459075354,-0.25552433,-0.474513141,-0.217575699,-0.41521468
9789,C18 H30 O8,6-Epi-7-isocucurbic acid glucoside Esi+7.8439946,396.1757,7.8439946,0.101202293,0.056786126,0.049801276,0.177754466,0.016187817,0.099828445,0.175513818,0.096387004,0.039262715,0.16453528,0.107333338,0.074500547,-0.114282732,0.232213545
9790,C38 H52 Cl2 N,C38 H52 Cl2 N,592.358,13.548023,0.297464713,0.367441673,0.143497427,0.305589755,0.29404495,0.328243357,0.215305737,-0.081924715,-0.180417469,0.035575412,-0.038544967,-0.136998452,-0.129425245,-0.051299373
9791,C22 H45 N O,Docosanamide Esi+11.413995,339.3494,11.413995,0.175607823,0.418946822,0.162800269,0.167587764,0.153603321,0.147041557,0.180971285,-0.017273911,-0.116928303,0.101612029,0.009356114,-0.056905112,0.033203328,-0.049818448
9792,C18 H28 O6,"11-dehydro-2,3-dinor-TXB2 Esi+11.362037",362.1697,11.362037,0.744568421,0.8635529,0.510400957,0.893647715,0.423631687,0.950200423,0.585671607,0.325522933,0.371984095,0.270095581,0.399847474,0.218832037,0.418253422,0.26573617
9793,C38 H73 O9 P,PG(P-18:0/14:1(9Z)) Esi+14.840027,703.4889,14.840027,0.928725674,0.943121877,0.790375324,0.862994721,0.790121927,0.698381009,0.896687504,-0.77839538,-0.878802841,-0.658611042,-0.780891334,-0.775286044,-0.732510171,-0.807979265
9794,C14 H22 O5,C14 H22 O5 Esi+5.8769984,270.1449,5.8769984,0.3819632,0.22161833,0.432285175,0.409730745,0.275727629,0.398870712,0.240112298,-0.303377469,-0.255775719,-0.360165521,-0.416723972,-0.152924837,-0.399319359,-0.241520197
9795,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+13.683032",732.4159,13.683032,0.297153839,0.131181297,0.54237706,0.282046496,0.314876848,0.400556995,0.208443181,0.223617765,0.089829917,0.38322432,0.260939943,0.158166734,0.28058934,0.186886091
9796,C52 H92 Cl3 N2 O P S,C52 H92 Cl3 N2 O P S,928.5733,12.402003,1.0641433,0.944754556,1.00010733,0.902893658,1.026245403,1.101260742,0.916672922,1.009974075,1.019402637,0.998725966,0.936017064,1.081354105,1.18556132,0.896766509
9797,C35 H57 N9 O2,C35 H57 N9 O2,632.4627,15.294974,0.861683748,0.923342599,0.728308807,0.86909436,0.836150618,0.906813965,0.764567539,-0.437631791,-0.573270191,-0.27581756,-0.38252256,-0.539919063,-0.494067616,-0.401245536
9798,C27 H36 F6 O3,"(23E)-26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,24-didehydrovitamin D3 / (23E)-26,26,26,27,27,27-hexafluoro-1?,25-dihydroxy-23,24-didehydrocholecalciferol",521.2496,12.011979,0.659383447,0.518037323,0.532423199,0.616921321,0.448601829,0.78946181,0.424858236,-0.235107599,-0.290538194,-0.168979872,-0.242946613,-0.212779675,-0.34340751,-0.165282656
9799,C38 H64 N3 O5 S2,C38 H64 N3 O5 S2,706.4264,14.135009,0.832199895,0.581785498,1.071193442,0.886907508,0.714647081,0.725881242,0.851575894,0.714211604,0.577728976,0.877032985,0.751702222,0.620901732,0.644748359,0.758997118
9800,C14 H26 O2,C14:1n-10 Esi+14.180978,226.1928,14.180978,1.106977041,1.193459905,0.795517115,1.042292906,1.112190958,0.926270994,1.110039506,-0.762160984,-0.950153393,-0.537889338,-0.657632647,-0.924700538,-0.669461112,-0.821928006
9801,C6 H6 N6 O2,Temozolomide Esi+4.041001,194.0553,4.041001,0.657494607,0.69575983,0.610850586,0.654200923,0.669721399,0.880407873,0.536492736,0.85137162,0.895674903,0.79851858,0.843812937,0.850110016,1.091013591,0.696865612
9802,C25 H50 N O4,(R)-Stearoylcarnitine Esi+13.156005 :1,427.3664,13.156005,1.885701881,2.019102448,1.683548948,1.881254895,1.920393214,1.952860074,1.838178767,-1.906606999,-2.08452239,-1.694357058,-1.965741195,-1.839458873,-1.995173901,-1.849504654
9803,C16 H24 O8,Dihydroconiferin Esi+5.8509927,344.1432,5.8509927,0.938934211,1.04828716,0.730903237,0.610930028,1.169869157,0.918563531,0.907789384,-0.772948462,-0.834976245,-0.698950405,-0.467051365,-1.157542348,-0.660273529,-0.845594143
9804,C14 H16 N4,Imiquimod Esi+6.6140113 :1,240.134,6.6140113,1.067138431,0.857915508,1.176983101,1.008212969,0.945935403,1.035785331,0.996594892,0.372049295,0.333292387,0.418285607,0.396150741,0.344140933,0.420427634,0.340857998
9805,C38 H50 N6 O6,Hydroxysaquinavir M7 Esi+12.626986,708.3697,12.626986,2.178373265,2.132075251,2.376377159,2.233709592,2.318677544,2.082294754,2.318706379,2.311638849,2.048267184,2.625836624,2.19326398,2.4544976,2.007404759,2.507789775
9806,C14 H24 O4,Monomenthyl succinate Esi+9.017976,256.1669,9.017976,0.137591399,0.220075108,0.03179856,0.251804968,0.036996531,0.056999304,0.134183576,-0.088342177,-0.142223708,-0.024062456,-0.16684025,0.009911809,-0.104758444,-0.077758006
9807,C8 H4 O2,"2,4,6-Octatriynoic acid",132.0196,0.84599763,0.036616325,0.1400614,0.271585279,0.354579703,0.301286372,0.430001172,0.388570465,0.027211233,-0.047033936,0.115784417,-0.022347878,0.095038457,-0.086307604,0.100401009
9808,C25 H26 O2,"Estra-1,3,5(10),16-tetraen-3-ol benzoate Esi+8.9410095",358.1985,8.9410095,0.081481815,0.184109895,0.137971594,0.075268463,0.145355979,0.054492386,0.063744599,-0.024176477,0.06922646,-0.135604543,-0.101941356,0.093731415,-0.042354659,-0.012456334
9809,C43 H64 N14 O4,C43 H64 N14 O4,838.5476,12.608967,0.934917344,0.811215618,1.042041862,0.855568108,0.92461788,0.863462632,0.980808481,0.783754223,0.764435978,0.80680055,0.80180644,0.730369144,0.813837843,0.764358205
9810,C28 H48 N6 O4,C28 H48 N6 O4 Esi+15.19997,532.3723,15.19997,0.309956415,0.314013567,0.360381813,0.184368697,0.531592948,0.37902617,0.372212506,0.37287023,0.346237018,0.404643185,0.300429338,0.451616006,0.394547833,0.358893881
9811,C42 H77 N26 P,C42 H77 N26 P,976.6517,13.71198,0.170511295,0.10864493,0.65797308,0.423545072,0.032406793,0.219911181,0.194340852,0.080031957,-0.102247947,0.297488685,0.306128112,-0.208594852,0.097576553,0.06872031
9812,C20 H28 N7 O2,C20 H28 N7 O2,398.2344,10.625,1.807041665,1.964263786,1.594140279,1.752022238,1.955799356,1.917994172,1.767025445,3.973593151,4.308389528,3.574186948,3.607188592,4.455757964,4.325139066,3.746938548
9813,C32 H48 O5,Ganoderic acid X Esi+15.12005,512.3457,15.12005,1.124881067,1.159347097,1.097990887,1.121938887,1.250107694,0.922303738,1.186758379,-0.898726153,-0.908955077,-0.886523226,-0.760541526,-1.118042656,-0.559982014,-1.117126979
9814,C31 H44 O4,EB 1213 Esi+15.539014,502.3061,15.539014,1.65266773,1.653326519,1.582270687,1.59914672,1.673692383,1.644151035,1.621624472,0.499389451,0.553508209,0.434826723,0.466808256,0.547616607,0.467776805,0.519771289
9815,C17 H28 N13 O2,C17 H28 N13 O2,446.2461,6.6519856,0.632131015,0.445242394,0.886562322,0.643869723,0.665073766,0.670348604,0.559993487,-0.523704687,-0.290764252,-0.80159854,-0.427623508,-0.682067661,-0.499621099,-0.539232264
9816,C20 H O17 P S,C20 H O17 P S Esi+9.604003,575.8675,9.604003,0.497891273,0.638171785,0.246781728,0.375872532,0.482782419,0.593278681,0.393720261,0.222303278,0.34268131,0.078694398,0.216126757,0.206341654,0.336437165,0.148716956
9817,C15 H27 O9 P S,C15 H27 O9 P S,414.1112,2.0499957,0.993877779,1.162782136,0.564969388,0.794975873,0.994350664,0.771067038,0.966171509,0.927438351,1.12974724,0.686087395,0.814229287,1.110971732,0.858584654,0.971830866
9818,C25 H21 Cl3 N8 O4,C25 H21 Cl3 N8 O4,602.0745,12.025965,0.253071291,0.07859565,0.517506311,0.170170416,0.315234277,0.152823874,0.395111882,0.30738796,0.18445873,0.454040375,0.302989785,0.28727455,0.263612296,0.335611744
9819,C21 H38 N6 O3,C21 H38 N6 O3 Esi+14.105972,422.3028,14.105972,0.667957605,0.714893976,0.664951237,0.679226133,0.624100979,0.893632564,0.57692921,0.420566866,0.472802784,0.358250333,0.480705247,0.305450014,0.603977686,0.302315154
9820,C11 H Cl N O14 P S5,C11 H Cl N O14 P S5,596.7436,12.819018,1.984034651,1.887716481,2.20516096,1.87029509,2.24639514,1.858763827,2.156661763,-2.375368132,-2.10531512,-2.697536637,-2.099721959,-2.761724477,-1.940636593,-2.655655571
9821,C24 H46 N7 O,C24 H46 N7 O,448.3677,15.3589525,0.153311232,0.121484134,0.19728038,0.181399018,0.069585368,0.088955033,0.214846797,0.167465906,0.112680764,0.23282362,0.222685589,0.110876476,0.166067626,0.16836743
9822,C13 H32 N17,C13 H32 N17,426.2983,14.272965,1.650307305,1.791225549,1.458151909,1.592415181,1.612522707,1.799045397,1.519307508,-1.024156524,-1.110181455,-0.921530291,-1.047110526,-0.983421492,-1.130501084,-0.955592269
9823,C32 H54 O13,Goshonoside F5,668.3417,11.859001,1.414614313,1.240843743,1.473487741,1.472473235,1.347422587,1.414011637,1.367587586,1.490264292,1.350713479,1.656745963,1.543565087,1.38636476,1.519211756,1.471600795
9824,C9 H12 N6 O4,8-Azaadenosine Esi+7.339993,268.0929,7.339993,0.317658189,0.305781841,0.228825666,0.267425708,0.271976109,0.091182377,0.364897149,-0.350616556,-0.376085576,-0.320232461,-0.267171871,-0.444185548,-0.20058447,-0.447347769
9825,C21 H35 N5 O4,Phe Lys Lys,443.2516,10.040011,0.624012546,0.815324935,0.398401584,0.705151893,0.526788261,0.553037708,0.670106863,-0.337289941,-0.447773747,-0.205484698,-0.338780808,-0.320882355,-0.31780413,-0.349853161
9826,C15 H26 N2 O7,Spenolimycin Esi+10.021979,346.1771,10.021979,0.49219933,0.304895135,0.685908753,0.241777335,0.699681074,0.199281635,0.708843044,0.371420299,0.269163213,0.49341121,0.263960778,0.510739656,0.213405505,0.473298259
9827,C27 H40 N3 O4,C27 H40 N3 O4,470.2986,14.079032,0.335853692,0.583804738,0.00628698,0.240788768,0.325457899,0.439588517,0.213614603,-0.145059847,-0.325313759,0.069979908,-0.108591228,-0.185061458,-0.266299909,-0.066891912
9828,C19 H32 O4,"methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate Esi+11.739012",324.2169,11.739012,2.245167779,2.153926713,2.501851837,2.271997528,2.439810123,2.117291135,2.475357087,1.299845152,1.150334133,1.478209175,1.211486142,1.415082512,1.145559084,1.399319064
9829,C9 H9 N5 O,"(5-Phenyl-1,2,4-triazol-3-yl)urea",220.1077,6.668982,1.15712646,1.096636557,1.162263533,1.230959613,1.05877019,1.168643951,1.12565172,0.476393356,0.459572167,0.49646074,0.524327338,0.431749639,0.50385374,0.458688635
9830,C46 H89 O13 P,PI(15:0/22:0) Esi+12.498028,879.5949,12.498028,0.392672759,0.375277475,0.237285091,0.324738349,0.299359689,0.247368047,0.402515795,-0.125953288,-0.157762073,-0.088005965,-0.060566349,-0.241370001,-0.061865802,-0.167272851
9831,C20 H42 N10 O3 S,C20 H42 N10 O3 S,502.3158,11.851009,0.113996792,0.011955041,0.381020558,0.096664057,0.144597259,0.0928077,0.177821675,0.30887299,0.161629091,0.484532378,0.350554902,0.231296888,0.304179072,0.311899331
9832,C26 H46 O4,C26 H46 O4 Esi+14.751971,422.3396,14.751971,1.688149717,1.952878416,1.413151312,1.754748255,1.632704391,1.751093164,1.662490236,-1.403086014,-1.575265565,-1.19767883,-1.307341423,-1.538646074,-1.361420778,-1.429949126
9833,C19 H51 N24 O4 P,C19 H51 N24 O4 P Esi+12.924012,709.4797,12.924012,0.362085563,0.453572827,0.19520311,0.493103481,0.147333972,0.338637487,0.297919606,-0.275088209,-0.363158258,-0.170022186,-0.326947848,-0.193484659,-0.153114185,-0.353729356
9834,C28 H47 N9 O2,C28 H47 N9 O2 Esi+9.547997,541.3842,9.547997,0.544660171,0.413356404,0.721181738,0.357342014,0.726473233,0.580498921,0.568176554,0.2523021,0.223068319,0.287177488,0.197726797,0.304655388,0.287310705,0.229730763
9835,C23 H43 N23 O8 P S,C23 H43 N23 O8 P S,832.3139,8.186007,0.439718434,0.310864082,0.766144912,0.426647748,0.528771324,0.220431854,0.60501316,-0.171974964,-0.11807314,-0.236278894,-0.159030991,-0.162447213,-0.08099204,-0.230635007
9836,C28 H48 O5,2-Deoxybrassinolide Esi+14.079026,442.3668,14.079026,0.582383639,0.534078634,0.558743167,0.48419306,0.617555576,0.505265841,0.552872947,-0.221442678,-0.245858269,-0.192315307,-0.099420174,-0.376978523,-0.225749529,-0.218665893
9837,C14 H20 O2,2-Methyl-1-phenyl-2-propanyl butyrate,220.1461,12.395016,0.210264936,0.17307287,0.248672382,0.247856312,0.398433066,0.117811763,0.323675086,0.121312402,0.107632729,0.137632012,0.060260985,0.220192783,0.019741635,0.186798818
9838,C13 H27 N14 P,C13 H27 N14 P,408.2126,10.311016,0.072978126,0.033417725,0.156684755,0.112401927,0.139338381,0.057636051,0.138078235,-0.017494242,0.094035333,-0.150547067,0.062042716,-0.143018789,0.181444712,-0.145757514
9839,C29 H46 N4 O8,1-NBD-decanoyl-2-decanoyl-sn-Glycerol,578.324,8.552001,0.164050259,0.06090025,0.420671764,0.121396612,0.564823415,0.247066837,0.502914406,0.107236678,0.001461378,0.233424755,-0.088134252,0.379923912,-0.13100386,0.26083913
9840,C17 H25 N3 O6,Val Tyr Ser Esi+10.660981,366.1663,10.660981,0.911545403,0.791954884,1.108078065,0.97406985,0.878568683,0.985086165,0.888828525,-0.353129798,-0.328562469,-0.38243819,-0.38439779,-0.31371138,-0.399176392,-0.323441862
9841,C12 H22 O5,Dibutyl malate Esi+7.3669767 :1,246.1481,7.3669767,0.419711012,0.522018081,0.15844169,0.419292781,0.286756404,0.439433554,0.303043114,-0.607249251,-0.914004248,-0.241295921,-0.692155141,-0.474830693,-0.622281113,-0.597557655
9842,C8 H19 N9 O2 P,C8 H19 N9 O2 P,304.1315,7.588991,0.609830757,0.53170914,0.60963552,0.494678023,0.677334723,0.818649658,0.42004194,-0.354451531,-0.372213234,-0.33326213,-0.364839171,-0.343624618,-0.532695423,-0.239531127
9843,C34 H59 N O13,Fumonisin B4 Esi+14.090028,704.4218,14.090028,0.769221539,0.548551532,1.029663852,0.840503924,0.62338088,0.825807873,0.681233462,0.671307409,0.541995894,0.825573778,0.784657649,0.498879306,0.725582581,0.636314206
9844,C11 H22 N2 O8,Mannopine Esi+7.689974 :3,310.1399,7.689974,0.994393818,0.888954376,1.207307736,0.733423331,1.273675081,1.062264023,1.027684586,-0.467258265,-0.460880849,-0.474866411,-0.437078721,-0.497741184,-0.560748571,-0.40698162
9845,C27 H49 N3 O6 S,C27 H49 N3 O6 S,543.3315,11.891012,1.161424802,1.403667223,0.707020222,1.220940681,0.976529638,1.123836277,1.130191794,-1.390164851,-1.833429376,-0.861358049,-1.479945615,-1.262998917,-1.346021844,-1.418625474
9846,C28 H37 N5 O7,Enkephalin L Esi+11.154031,572.2958,11.154031,1.442329386,1.148019036,1.839330258,1.438768205,1.521595533,1.351730749,1.558816583,0.709838828,0.593085824,0.849123113,0.722757294,0.6854131,0.681478099,0.728124035
9847,C17 H22 O7,O-Acetylcyclocalopin A Esi+6.2600074,338.1359,6.2600074,0.87841104,0.861573886,0.739175883,0.83134968,0.685783953,0.74404522,0.798123152,-0.6571469,-0.7129267,-0.590602577,-0.713864208,-0.564387464,-0.652742103,-0.659986835
9848,C23 H6 N2 O23,C23 H6 N2 O23 Esi+10.396978 :2,677.9354,10.396978,0.478393627,0.616275409,0.293007985,0.414197988,0.482547443,0.590263458,0.428976039,0.258268588,0.364521115,0.131511188,0.278735883,0.203369925,0.372793577,0.184430109
9849,C30 H48 O5,21beta-Hydroxyhederagenin Esi+15.079039,488.3473,15.079039,0.916975436,1.03462946,0.667830526,0.881973359,0.887004216,0.916141439,0.826536661,-0.394209289,-0.554486328,-0.203001594,-0.313368372,-0.525004959,-0.379327949,-0.403803838
9850,C17 H34 O3,17-hydroxy-heptadecanoic acid Esi+9.68799,303.2769,9.68799,1.640573972,1.890825272,1.315009847,1.752553891,1.587908061,1.915206669,1.51886005,-0.616560423,-0.687015124,-0.532509201,-0.656487377,-0.561642897,-0.652152114,-0.593613149
9851,C29 H46 N4 O8,1-NBD-decanoyl-2-decanoyl-sn-Glycerol Esi+8.246982,595.3559,8.246982,0.075842697,0.34759488,0.756194248,0.083537622,0.464461353,0.356779372,0.431700381,0.040133292,-0.129005988,0.241913486,-0.034509557,0.159896135,-0.132922402,0.151708674
9852,C33 H53 N5 O2 P,C33 H53 N5 O2 P,582.3882,15.1689625,0.019294191,0.173786185,0.222496338,0.045241376,0.071054737,0.046217114,0.045309294,0.118664793,0.048229447,0.202692926,0.156381756,0.068063949,0.155023872,0.095222755
9853,C20 H33 N O,Fenpropimorph Esi+11.604003,320.2823,11.604003,0.642438169,0.80536904,0.260521528,0.58418234,0.6164815,0.840047327,0.413470734,-0.155320386,-0.236394967,-0.058599833,-0.134282225,-0.17834659,-0.24257737,-0.099062593
9854,C27 H35 N9,C27 H35 N9,485.3023,13.593995,1.030775751,0.73217018,1.434684438,1.071058252,1.007867412,1.051189567,1.049323835,0.875125702,0.65751068,1.134736605,0.873844147,0.8709901,0.809257028,0.917593662
9855,C27 H48 O4,C27 H48 O4,436.3551,15.1330385,0.695263238,0.775213571,0.519042512,0.725562756,0.527789925,0.593785053,0.663274594,-0.39999023,-0.489940268,-0.292681413,-0.408684521,-0.393207709,-0.440247351,-0.374034981
9856,C19 H31 N O2,17beta-Nitro-5alpha-androstane,305.2348,9.213991,0.343994495,0.47332864,0.254931022,0.574436912,0.257059474,0.656808143,0.190689123,-0.238909127,-0.295443004,-0.171465203,-0.296247783,-0.178200205,-0.344955848,-0.170536898
9857,C21 H42 N6 O9,C21 H42 N6 O9 Esi+6.4040155 :1,522.3012,6.4040155,0.470083007,0.692742234,0.049610844,0.476588346,0.246503818,0.686733737,0.227787446,0.167037163,0.317214138,-0.012121333,0.212827243,0.081408578,0.332510778,0.060350227
9858,C35 H66 N13 O2 P,C35 H66 N13 O2 P,731.5181,14.43196,0.438502163,0.508463528,0.160121061,0.429471883,0.32702616,0.454203926,0.318830713,-0.563397396,-0.624975058,-0.489936325,-0.472682574,-0.709946887,-0.549965593,-0.572057374
9859,C10 H20 N10 O2 P,C10 H20 N10 O2 P,342.1528,13.054989,0.943324771,0.909479276,0.814612094,0.776186011,0.910773253,0.958811666,0.877589631,-0.409259899,-0.440723166,-0.371724774,-0.423702877,-0.380461143,-0.454919404,-0.379821534
9860,C45 H79 O12 P,"PI(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+14.454026",859.5765,14.454026,0.914349584,0.891921549,0.769455122,0.934730106,0.87162816,0.86794267,0.854142825,-0.581818148,-0.634169209,-0.519364251,-0.561899184,-0.609683088,-0.524595084,-0.618711966
9861,C30 H3 N3 O18,C30 H3 N3 O18 Esi+9.952982,692.9411,9.952982,0.18487427,0.096865987,0.304855175,0.02751001,0.318247346,0.010920592,0.234853164,0.082237354,0.049028308,0.121855164,0.058623516,0.141142812,0.048576289,0.103939883
9862,C32 H67 Cl O P S,C32 H67 Cl O P S,565.44,15.2339525,0.224826537,0.254447261,0.059693893,0.18061105,0.169939888,0.006592709,0.253429995,-0.044341408,-0.112438006,0.036896638,-0.029514552,-0.071305644,0.042183123,-0.100126961
9863,C32 H2 O13 P,C32 H2 O13 P Esi+13.675031 :1,624.9228,13.675031,1.693291016,1.743096808,1.822995313,1.76362438,1.756508449,1.833048709,1.750643337,0.919164711,0.944703912,0.888696893,0.945707224,0.864670818,0.967580335,0.887949376
9864,C37 H72 N O9 P,PS(P-18:0/13:0) Esi+9.595977,727.4812,9.595977,0.793487654,0.684340786,0.825024196,0.92404539,0.57534655,0.566399143,0.855012726,-0.373875449,-0.31689576,-0.441851218,-0.398180853,-0.362602576,-0.241330326,-0.459332172
9865,C14 H20 O3,C14 H20 O3 Esi+8.989992,236.1345,8.989992,0.223269001,0.138998379,0.317503077,0.339374463,0.084910925,0.121867671,0.231200149,-0.100205409,-0.037719732,-0.174749725,-0.12855531,-0.065415971,-0.015207216,-0.155006875
9866,C23 H49 N8 O2 P,C23 H49 N8 O2 P Esi+14.979984,500.3665,14.979984,1.219718932,1.261619947,1.068868501,1.218660454,1.145785021,1.030359473,1.204676023,-0.94385571,-1.070361948,-0.792935986,-0.844244871,-1.081414183,-0.773512056,-1.053682539
9867,C26 H37 N O4,17-phenyl trinor Prostaglandin F2? cyclopropyl amide Esi+8.359007,427.2783,8.359007,1.045016792,1.102809129,0.888856241,1.159454542,0.80267241,1.112066104,0.962020814,-1.904164194,-1.870891109,-1.9438584,-2.235414808,-1.484053704,-1.974724236,-1.858671535
9868,C20 O19 P,C20 O19 P Esi+11.9519825,574.8788,11.9519825,1.494900972,1.547519001,1.319768434,1.327687353,1.534052821,1.487178353,1.419442993,1.012703891,1.069003567,0.945539366,0.973352923,1.037321099,1.023995881,1.005423529
9869,C26 H43 N21 O P,C26 H43 N21 O P,694.3646,12.501973,0.117200804,0.192608844,0.072031817,0.114408023,0.244327457,0.02281572,0.10796704,-0.029957088,-0.237727653,0.217909551,0.169669667,-0.266652057,-0.03689582,-0.025483433
9870,C22 H35 N3,C22 H35 N3,341.2828,8.793974,1.552827178,1.694497638,1.38993024,1.636929392,1.631313082,1.684064271,1.604122568,-0.613395344,-0.749212213,-0.451368203,-0.647084842,-0.576056974,-0.61662028,-0.611316109
9871,C32 H52 O9,Tokoronin Esi+13.449972,602.3366,13.449972,0.336714531,0.211594478,0.455973863,0.362827346,0.28335847,0.316200689,0.388678106,0.3811047,0.262822319,0.522213506,0.36634407,0.388221294,0.296407223,0.435712284
9872,C25 H22 O6,Millettin Esi+9.753009,440.1245,9.753009,0.772844989,0.738564083,0.86915843,0.693277321,0.936655507,0.678064074,0.915779238,0.454770828,0.416839923,0.500021733,0.40113738,0.535606522,0.399180903,0.490611701
9873,C11 H15 N O2,2-Methoxymethcathinone Esi+0.86999875,193.1096,0.86999875,0.209852257,0.296364437,0.137304486,0.432716608,0.082863902,0.392152117,0.104804754,-0.019734472,-0.063750246,0.032775574,-0.03331353,-0.010350056,-0.04618454,-0.002681138
9874,<none>,<none> Esi+11.133034,426.7402,11.133034,1.226835544,0.927613862,1.605639183,1.194915626,1.330384535,1.014509932,1.386397047,0.53591492,0.424976229,0.668262833,0.541726266,0.533401843,0.458845953,0.585604123
9875,C21 H36 N2 O2,C21 H36 N2 O2,348.2773,11.47703,0.746266863,1.031439188,0.220579931,0.679285461,0.76194983,0.810698866,0.589019362,-0.180150389,-0.290548452,-0.048447436,-0.151228016,-0.211499177,-0.208502687,-0.161870617
9876,C32 H61 N4 O5 S,C32 H61 N4 O5 S,613.4374,11.969977,0.314994518,0.307857842,0.335810128,0.159615157,0.490979431,0.024234104,0.506940976,-0.178426031,-0.131838271,-0.234004412,-0.076534837,-0.339581837,0.021420048,-0.307274162
9877,C19 H37 N O4,N-palmitoyl serine Esi+10.152005,365.2539,10.152005,0.190818556,0.197016002,0.20362009,0.294735442,0.142157883,0.18026854,0.2387193,0.159219498,0.1529077,0.166749363,0.172774456,0.117801941,0.109221991,0.191454733
9878,C28 H38 O6,3?-Hydroxydeoxodihydrodeoxygedunin,487.297,11.024995,2.259326225,2.332607442,2.153102562,2.209923647,2.352793333,2.424853388,2.200940709,-1.161799891,-1.161472727,-1.162190192,-1.100383427,-1.231708807,-1.198192857,-1.138336004
9879,C24 H33 N O4,Butroxydim Esi+5.7399926,399.2463,5.7399926,0.512548346,0.587545989,0.287903716,0.368726988,0.584379053,0.430814694,0.512698014,-0.116285537,-0.162811028,-0.060781441,-0.073052137,-0.184704925,-0.099604881,-0.12704017
9880,C27 H47 N7 O6,JSTX-3 Esi+12.430987,582.3914,12.430987,2.107731126,2.064547895,2.237842319,2.370246266,2.051748477,2.319011111,2.083064505,-3.586415177,-3.43342116,-3.768934356,-3.661593796,-3.503201093,-3.59309804,-3.58210649
9881,C36 H48 N2 O8,Ansatrienin A Esi+14.972969,636.3361,14.972969,0.033403481,0.27007625,0.512555527,0.123324582,0.501905351,0.450801989,0.399390684,0.027773715,-0.125649899,0.210805395,-0.064027816,0.168243871,-0.139810698,0.135821561
9882,C26 H53 N4 O S2,C26 H53 N4 O S2,501.3618,13.653019,0.62601924,0.628498587,0.328916564,0.491304311,0.552632702,0.564775768,0.491559667,-0.186974131,-0.274565006,-0.082479754,-0.153149225,-0.225101005,-0.215620683,-0.168504644
9883,C22 H31 N2 S,C22 H31 N2 S,355.223,11.34597,1.189199671,1.272603946,1.1907922,1.323561524,1.075931096,1.41280252,1.056348144,-0.601189479,-0.638329535,-0.556882044,-0.630698896,-0.526808331,-0.704591175,-0.534522596
9884,C33 H69 N O3 P S3,C33 H69 N O3 P S3,654.4253,13.980973,0.571279156,0.500171689,0.637441438,0.573268227,0.540006069,0.60944457,0.490536836,-0.739591501,-0.545766724,-0.970821059,-0.672881831,-0.855920754,-0.791817052,-0.705919764
9885,C22 H34 O7,Colforsin Esi+9.183989,410.2289,9.183989,0.745666681,0.836198948,0.507780957,0.775372325,0.640973448,0.568723159,0.753778837,-0.829077597,-0.991947542,-0.63477661,-0.835550797,-0.775254248,-0.699575885,-0.912572122
9886,C31 H56 N5 O12 S,C31 H56 N5 O12 S Esi+14.593995,722.3647,14.593995,1.156365842,1.040971754,1.251730881,1.244133323,1.072680037,1.290245904,1.052266836,0.582078746,0.515735435,0.661225152,0.613504988,0.53532685,0.639777461,0.544878259
9887,C43 H75 O7 P,"PA(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+9.688985 :2",733.5156,9.688985,0.617514667,0.510214177,0.703111318,0.754932387,0.412787811,0.557978188,0.542036515,-0.357417077,-0.291198948,-0.436414144,-0.337096699,-0.406169008,-0.259370447,-0.420631352
9888,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.537002",414.2245,9.537002,1.121483622,0.972213316,1.174702449,1.203153193,0.950764379,1.032538355,1.040523158,0.853015145,0.78010255,0.939998591,0.960871927,0.711105493,0.817631148,0.875828511
9889,C10 H9 N O,N-Hydroxy-1-aminonaphthalene Esi+2.049995 :1,159.0683,2.049995,1.009921888,1.209073102,0.572229624,0.880159842,0.904406046,0.962616892,0.902205557,0.714320261,0.880549386,0.516011831,0.662711171,0.798495247,0.750456104,0.691022151
9890,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+12.3890085",328.2239,12.3890085,1.600690143,1.261983065,1.857642753,1.293032045,1.803962885,1.122151811,1.825993738,1.238930546,0.959482764,1.572306848,1.041826188,1.513013151,0.935602874,1.434497072
9891,C25 H42 N6 O2,C25 H42 N6 O2,456.3242,15.122019,0.808213457,0.727914168,1.028803419,1.265154147,0.521440794,0.906319646,0.790353496,0.366684019,0.321310596,0.420813718,0.454909392,0.260665282,0.33722084,0.385680017
9892,C24 H37 N15 P,C24 H37 N15 P Esi+13.101014,566.3079,13.101014,0.024656457,0.055631964,0.061040648,0.158853587,0.223989426,0.125390955,0.068963745,0.035907907,-0.0171762,0.099236315,0.198342877,-0.192625142,0.112067474,-0.013194972
9893,C20 H32 N6 O7,C20 H32 N6 O7 Esi+9.873022,468.2324,9.873022,1.146672945,0.985995087,1.30160597,1.180164615,1.003365809,1.244671787,1.008162374,1.555436563,1.385275218,1.758436062,1.633502107,1.421325069,1.687299866,1.470419433
9894,C11 H33 Cl2 N9 P S5,C11 H33 Cl2 N9 P S5,552.0577,14.086972,0.449005038,0.669483504,0.047073449,0.545637248,0.08782842,0.49376926,0.295112521,-0.203114232,-0.318345879,-0.065644898,-0.264498236,-0.121474502,-0.246231382,-0.175315016
9895,C21 H36 O11,"Linalool 3,7-oxide beta-primeveroside Esi+5.5140033",464.2221,5.5140033,0.490745592,0.539544664,0.288356495,0.662932502,0.180144659,0.805860001,0.07605086,0.326070078,0.43822838,0.192267192,0.444846362,0.140683125,0.680132174,0.0977932
9896,C14 H20 N6 O3,C14 H20 N6 O3,318.1438,8.417992,0.559364894,0.649959666,0.226140001,0.531840665,0.449353244,0.788234959,0.26383576,-0.34487482,-0.446167766,-0.224034112,-0.318658464,-0.357487611,-0.531794464,-0.224360838
9897,C17 H32 N7,C17 H32 N7,334.2718,12.872011,0.742381622,1.094429117,0.285291447,1.000842492,0.491920045,1.006541918,0.565586551,-0.416600015,-0.660320649,-0.125845575,-0.472098711,-0.295362591,-0.54573309,-0.333343164
9898,C21 H32 O5,"Vanillin 3-(L-menthoxy)propane-1,2-diol acetal",364.2215,11.56901,0.546222362,0.614169909,0.329295422,0.584734027,0.441738001,0.149067305,0.731777247,-0.390583736,-0.561949087,-0.186147879,-0.408281212,-0.37386573,-0.16914967,-0.533350436
9899,C22 H41 N O,Pipericine Esi+13.916014 :1,335.3157,13.916014,1.544283797,1.668104659,1.29151912,1.421348708,1.612081995,1.612648018,1.507540684,-1.071188585,-1.272303004,-0.831262611,-1.013926485,-1.152149957,-1.180262703,-1.000864482
9900,C50 H96 N O10 P,PS(22:1(11Z)/22:0),923.6643,12.93799,0.036359106,0.027107564,0.253328367,0.067129532,0.120869302,0.231284548,0.03262665,0.056967967,0.015358601,0.10660721,0.093292888,-0.010576379,0.137921838,0.004774024
9901,C47 H77 N5 O13,C47 H77 N5 O13,919.5543,13.691968,0.004339029,0.112810946,0.087167542,0.248625665,0.391973986,0.082965607,0.063569963,0.011443197,-0.020418726,0.049453913,0.192005972,-0.272732676,0.10961056,-0.051848919
9902,C21 H42 N O4,(?)-Myristoylcarnitine Esi+11.524983,371.3031,11.524983,0.173347228,0.270465069,0.02735665,0.127830289,0.174788427,0.017147332,0.172611272,-0.353743021,-0.431198843,-0.261339584,-0.357344232,-0.355166756,-0.305460594,-0.38487248
9903,C17 H26 N4 O6,Lys-Lys-OH,381.1769,14.301018,1.504060616,1.525742558,1.120470906,1.333818548,1.380202799,1.290564057,1.409602686,-1.105043934,-1.166745276,-1.031435316,-1.065058484,-1.157597837,-1.087589949,-1.116297161
9904,C30 H51 N O7 P,"LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+12.04397",550.299,12.04397,1.23031107,1.169221592,1.145122692,1.212491733,1.001713956,1.173569577,1.09157532,-1.733793635,-1.70421776,-1.769077134,-1.859491489,-1.508738836,-1.885812785,-1.635781288
9905,C36 H54 O8,Synaptolepis factor K1 Esi+8.692011,631.4127,8.692011,0.338245937,0.364351347,0.217557942,0.442063491,0.15192969,0.027004412,0.445052496,-0.416467925,-0.403952944,-0.431398078,-0.510280855,-0.307973381,-0.117795113,-0.609033291
9906,C31 H35 N3,C31 H35 N3 Esi+11.738018,448.2462,11.738018,0.810164808,0.89254797,0.711661806,0.714936736,0.883720356,0.825689777,0.797236037,0.781094755,0.752739413,0.81492218,0.676998785,0.896270266,0.725861076,0.816705942
9907,C28 H46 O4,Secasterone Esi+15.201971,446.3392,15.201971,1.784815121,1.854337239,1.524164506,1.856323141,1.628090694,1.783310717,1.725419057,-1.17095448,-1.353246329,-0.953483503,-1.173694654,-1.173517596,-1.224739383,-1.136277371
9908,C28 H44 O3,"(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol",445.3585,12.416993,0.44501505,0.405486867,0.419503617,0.291198265,0.526097153,0.257372162,0.510274071,-0.290651794,-0.354299061,-0.214721721,-0.280739079,-0.316813429,-0.303073264,-0.282643214
9909,C35 H71 N24 O3,C35 H71 N24 O3,875.611,13.251972,0.21758957,0.195213402,0.124714062,0.081892182,0.30342872,0.025157342,0.265739111,-0.140069136,-0.128136541,-0.154304513,-0.016327996,-0.335315387,0.00592976,-0.234200004
9910,C26 H32 O5,Heliocide B2,441.2514,13.008037,1.263282177,1.018907411,1.624416651,1.490708042,1.160751948,1.257214428,1.349409947,0.554126733,0.440790961,0.68933432,0.570822626,0.546663908,0.491277827,0.594647737
9911,C35 H66 N O10 P,PS(17:1(9Z)/12:0) Esi+15.371028,690.4328,15.371028,1.032369096,1.047639862,1.195053889,1.061826532,1.198399362,1.394355536,0.941230509,0.851953356,0.833877698,0.8735173,0.849537331,0.859820505,0.972211702,0.774418371
9912,C19 H29 N O2,Samandarone,303.2225,10.270997,0.952979565,0.901957037,0.947631003,0.839390536,0.98500733,0.972226659,0.962753854,0.520269389,0.501123295,0.543110343,0.544982051,0.482146921,0.548108694,0.502320364
9913,C27 N O19,C27 N O19 Esi+9.595973,641.9069,9.595973,0.568837144,0.73020389,0.248696252,0.464025252,0.498780241,0.676077444,0.410671892,0.261351991,0.401433644,0.094237037,0.259161673,0.235478481,0.37925257,0.185337145
9914,C27 H48 N O7 P,"PE(22:4(7Z,10Z,13Z,16Z)/0:0)",529.3197,12.961994,0.044363717,0.193510136,0.413250755,0.174313403,0.011933138,0.065758594,0.14447954,-0.027165922,-0.155786256,0.126275881,-0.017572861,-0.022285869,-0.103630934,0.022133889
9915,C14 H24 O4,Monomenthyl succinate Esi+8.608008,278.1492,8.608008,1.219547226,0.972342769,1.399209357,1.001823765,1.489359346,0.856390944,1.39956906,0.873146866,0.723185264,1.052048427,0.714371882,1.078462938,0.665664124,1.006918634
9916,C29 H53 N O11,C29 H53 N O11,591.3605,8.380988,0.108937237,0.045097387,0.335014614,0.105653089,0.011188353,0.077317554,0.122700201,-0.199387084,-0.062800999,-0.362331887,-0.284691811,-0.052382804,-0.229428431,-0.18001832
9917,C23 H35 N5 O4,Leu Trp Lys Esi+12.696028,445.2694,12.696028,1.290072115,1.019817335,1.736812298,1.163576161,1.525835808,1.341113147,1.330466798,1.193337504,0.912654928,1.528186893,1.064594015,1.364987747,1.117856301,1.242003017
9918,C49 H71 N O12,Chivosazole A,882.526,15.199967,0.545444772,0.834912787,0.103713301,0.430367843,0.536950954,0.554814857,0.452130653,-0.226820182,-0.332665797,-0.10054822,-0.223302951,-0.235260382,-0.262973019,-0.203511116
9919,C27 H42 O6,Lucidenic acid M Esi+13.423026,479.3355,13.423026,0.459816556,0.645441767,0.283162142,0.314946849,0.532637852,0.597898037,0.395902551,0.408535946,0.499662632,0.299823408,0.388560478,0.41722167,0.510723024,0.342652172
9920,C54 H103 N O13,LacCer(d18:0/24:1),995.7165,13.763976,0.237760739,0.192769648,0.405386257,0.189406293,0.385780892,0.439383462,0.200846546,0.123833345,0.096430534,0.156524417,0.130609567,0.101121992,0.224959108,0.05863384
9921,C32 H59 N28 O P,C32 H59 N28 O P,880.5093,14.160961,1.069787751,0.895966775,1.134888629,1.019448381,1.035785704,0.871149206,1.115389936,0.574819391,0.512898617,0.648689788,0.554975364,0.603064802,0.491723217,0.628394556
9922,C31 H45 N3 O4 S,Pateamine Esi+11.525994 :1,554.3077,11.525994,2.493844408,2.329783687,2.692507677,2.447900478,2.633361679,2.314363599,2.620833639,4.456733232,4.086793908,4.898064355,4.217967868,4.774504058,4.172162319,4.640206583
9923,C32 H54 O5,Ganoderiol C Esi+16.246037,518.3944,16.246037,1.014092832,1.202636303,0.661693302,1.097678661,0.902706605,0.906889354,0.963845827,-0.679995417,-0.859767659,-0.465530287,-0.597879585,-0.824859891,-0.512732514,-0.787835973
9924,C20 H38 N7,C20 H38 N7 Esi+14.344975,376.3185,14.344975,0.891269676,0.685963071,0.970768409,0.813885944,0.814121613,0.708877375,0.877418638,0.693669208,0.570281751,0.840868279,0.679805436,0.706219277,0.60323834,0.75197332
9925,C38 H61 N2 O9,C38 H61 N2 O9,689.4374,13.273984,0.263652705,0.375776733,0.012597907,0.098190699,0.330322185,0.198215937,0.22610745,-0.073197875,-0.264323388,0.154811509,0.038830518,-0.229965144,-0.008227509,-0.115086664
9926,C24 H42 N23,C24 H42 N23 Esi+12.822999,652.3996,12.822999,0.305987053,0.309597332,0.330788533,0.431319597,0.210672224,0.168834885,0.423924851,0.476501537,0.416425188,0.548171567,0.577624427,0.340116326,0.343884962,0.562004328
9927,C34 H58 O5,C34 H58 O5 Esi+15.970963,546.4274,15.970963,0.962813106,0.908923768,0.953805347,1.021807651,0.876160681,0.846159367,0.980836036,-0.536593829,-0.602523285,-0.457941145,-0.593077986,-0.473261317,-0.582977392,-0.506688637
9928,C19 H20 O2,7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one,280.146,15.135987,1.199489312,1.257064887,0.93741462,1.167253504,1.057521869,1.057884185,1.210287175,-0.629568881,-0.694798123,-0.55175154,-0.614816773,-0.657827967,-0.61118839,-0.641419462
9929,<none>,<none> Esi+13.418963 :2,478.829,13.418963,1.617369562,1.867674089,1.509056955,1.543549548,1.848664571,1.834017634,1.645055734,0.943711891,1.051121424,0.815574204,0.943224953,0.927470949,1.028656931,0.888944694
9930,C24 H38 O6,"3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid Esi+13.960992",422.2609,13.960992,0.304977934,0.077605581,0.698395615,0.359326719,0.267948493,0.304425642,0.339713342,0.199387988,0.072663401,0.350568197,0.219807134,0.161315213,0.153615706,0.228899065
9931,C26 H42 O4,Hexadecyl ferulate Esi+10.022977,417.2957,10.022977,0.95899338,1.100607022,0.788878124,1.002175112,1.012818054,1.067687141,0.897614202,-0.867833677,-0.966507952,-0.750116999,-0.814746753,-0.896639287,-0.94319593,-0.819244857
9932,C52 H54 N5,C52 H54 N5,748.4453,15.373031,0.218558691,0.222521198,0.120090192,0.109472649,0.271386427,0.012929347,0.318454666,-0.090945037,-0.129680966,-0.044733754,0.026604943,-0.233021973,0.17284505,-0.261020225
9933,C33 H50 O2,Deterrol stearate,495.4123,14.968995,1.215357975,1.339151529,0.848199704,1.110520157,1.082658628,1.151987341,1.140562298,-0.841652154,-1.041921759,-0.602734028,-0.776749519,-0.935007216,-0.836435534,-0.8450155
9934,C33 H56 N2 O3 P S,C33 H56 N2 O3 P S,591.3749,9.165015,0.114035164,0.178222213,0.064265376,0.05777837,0.315870336,0.109479318,0.188775031,-0.031388119,0.041890793,-0.118808576,-0.206225684,0.178590303,-0.186134301,0.068382445
9935,C39 H55 N2 O5 S,C39 H55 N2 O5 S,663.3859,13.68799,0.134377784,0.143656267,0.692818547,0.276433658,0.065894903,0.174397023,0.160966945,0.134844313,0.005585926,0.289047301,0.184405865,0.058330289,0.121905589,0.143186385
9936,C12 H16 F N O,"3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3S,4R)-",209.1228,4.906005,0.782645427,1.000729632,0.426481142,0.953305838,0.568576337,1.015932821,0.607598959,-0.251884007,-0.351271349,-0.133316651,-0.272774161,-0.210780091,-0.334773169,-0.19844231
9937,C51 H83 O13 P,"PI(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",934.5634,14.562011,0.587153669,0.648180583,0.592271493,0.558245008,0.644284801,0.790153608,0.500785507,0.6673789,0.610157568,0.735642944,0.699130965,0.615367476,0.704009579,0.643761751
9938,C38 H60 O13,Alliospiroside C Esi+13.358971,724.4031,13.358971,0.39700545,0.24431436,0.38496939,0.418861116,0.175354973,0.435987716,0.290999988,0.494848508,0.347148452,0.671052084,0.618713694,0.305046216,0.563379414,0.450664109
9939,C41 H68 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) Esi+13.318041",733.4613,13.318041,1.541184243,1.497726029,1.527984497,1.470761129,1.562689822,1.421633,1.595375829,1.161297579,1.086160554,1.250934732,1.150885768,1.161171058,1.140283763,1.17484596
9940,C50 H89 D5 O6,TG(15:0/17:1(9Z)/15:0) Esi+5.8709826 :1,397.8717,5.8709826,0.419890634,0.81343378,0.282767689,0.750592571,0.016648733,0.849498771,0.094280581,0.189762349,0.456638475,-0.128616188,0.290159854,0.042262621,0.400086649,0.054158524
9941,C39 H66 O13,Alliosterol 1-rhamnoside 16-galactoside Esi+13.693039,764.4322,13.693039,1.046794341,0.833056589,1.406837489,1.104689869,1.026069572,1.0430178,1.069109751,0.766593557,0.62900266,0.930737084,0.793655718,0.723665931,0.696962605,0.811487197
9942,C21 H32 N3 S,C21 H32 N3 S,358.2248,9.435032,0.640985944,0.613657181,0.693662753,0.51800123,0.724216395,0.566958848,0.656311578,-0.418528719,-0.317638348,-0.538889161,-0.372015708,-0.506479815,-0.366927084,-0.451798194
9943,C21 H37 N O P S,C21 H37 N O P S,380.2177,10.53499,1.832342923,1.545504813,2.171741975,1.566662348,2.097660653,1.568902916,1.992642103,2.43884356,2.145027896,2.789360492,2.210008312,2.737984258,2.138721104,2.632343565
9944,C22 H40 O4,Octadecyl fumarate,368.2896,14.7750025,1.864231473,1.879875709,1.827929349,1.829928955,1.992420374,1.814168404,1.968780228,1.345220474,1.391492139,1.290019189,1.281879426,1.423632933,1.179566866,1.452023458
9945,C26 H26 O7,"4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone",450.1695,11.750981,0.909657192,0.864092305,0.933902181,0.988067322,0.763644184,0.754664341,1.00085357,0.831547352,0.788560727,0.882829642,0.885033851,0.732360803,0.68990616,0.922868647
9946,C20 H38 N6 O4,Leupeptin Esi+14.614013,426.2981,14.614013,0.143582445,0.208891221,0.055563548,0.043405671,0.187006177,0.06065117,0.219472769,0.059476219,0.024712205,0.100949077,0.122024147,-0.033147828,0.154054705,-0.001502016
9947,C25 H40 N2 O7 S,Lipoxin D4 Esi+9.137978,512.259,9.137978,1.833878989,1.740870709,1.73781263,1.844625936,1.688203015,1.811567411,1.743649073,2.758872532,2.728162093,2.795509547,2.777681971,2.717850282,2.793995674,2.736227348
9948,C17 H38 N,Cetrimide Esi+11.410975,255.2924,11.410975,0.164184882,0.248541036,0.111861324,0.019292434,0.292747233,0.046020609,0.178180295,0.025702962,-0.013463712,0.072428116,0.110784789,-0.09362585,0.047590295,0.011591391
9949,C20 H33 N3,Panamine Esi+11.966,315.2671,11.966,0.6640966,0.867490556,0.337300413,0.696877388,0.560551995,0.846230625,0.495417061,-0.223646479,-0.297238176,-0.135852875,-0.225810844,-0.206933413,-0.283033348,-0.185357577
9950,C9 H17 N O5,Pantothenic Acid Esi+3.2559972,219.111,3.2559972,1.29083379,1.309246554,1.151079552,1.275230894,1.248968628,1.290854267,1.214940533,0.752266031,0.829101059,0.66060319,0.728611893,0.807548575,0.767166821,0.742658943
9951,C12 H14 O2,Cinnamyl propionate,190.099,7.9079885,0.091721116,0.000413315,0.242759526,0.016351017,0.297527599,0.156755628,0.315113537,0.006472545,-0.090726404,0.122429185,-0.12422252,0.172778623,-0.22266369,0.154205118
9952,C28 H54 O6,C28 H54 O6 Esi+14.612042,486.3917,14.612042,1.23563574,1.308961193,1.047047665,1.223396478,1.19856362,1.073716121,1.247943198,-0.849848737,-0.987494982,-0.685639182,-0.706166142,-1.069499963,-0.614231006,-1.001760168
9953,C28 H46 O3,"(24R)-1?,25-dihydroxy-24-methylvitamin D3 /(24R)-1?,25-dihydroxy-24-methylcholecalciferol Esi+16.878965",430.3443,16.878965,1.069495636,1.167099787,0.836949885,0.888726549,1.279856883,0.977636498,1.081891114,1.391363783,1.595793758,1.14748241,1.250429943,1.664308451,1.311102941,1.443110905
9954,C16 H28 N6 O4,Arg Pro Pro,368.2166,11.874019,1.575302381,1.69685541,1.409950454,1.497603863,1.57396794,1.700773099,1.467831076,-0.783132072,-0.810087735,-0.750974439,-0.783257149,-0.763222449,-0.828443614,-0.753918052
9955,C20 H29 F O3,Fluoxymesterone,353.2404,8.942005,1.232601374,1.109021525,1.380584095,1.345097939,1.128695585,1.39561698,1.138095314,-0.850095443,-0.775614591,-0.938949792,-0.878021065,-0.833389772,-0.873228652,-0.835180611
9956,C16 H24 O3,"12-Oxo-2,3-dinor-10,15-phytodienoic acid Esi+8.490993",264.1693,8.490993,0.127306549,0.311841896,0.000265701,0.148999274,0.086726496,0.257365012,0.0752479,0.256352249,0.384544523,0.103421117,0.248369022,0.23556187,0.43266304,0.142678187
9957,C35 H63 N8 O11,C35 H63 N8 O11,771.4596,8.5,0.390701382,0.100647012,0.827051866,0.389655571,0.54213579,0.299843919,0.496758006,0.169857861,0.077882289,0.279583104,0.137558066,0.218694818,0.120906721,0.201418464
9958,C26 H36 O5,"2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one Esi+14.333007",450.2387,14.333007,0.989030832,0.983684937,0.739480463,0.90244825,0.796543758,1.001361729,0.949789253,0.507661097,0.580117234,0.421222198,0.563549249,0.434046033,0.562041789,0.472599862
9959,C17 H27 N O3,Nordihydrocapsaicin,293.1993,12.81299,0.696810805,0.964710048,0.24908523,0.579817139,0.631779353,0.803700952,0.572381077,-0.32454879,-0.510433062,-0.102792113,-0.330962954,-0.281969665,-0.441552131,-0.249112425
9960,C41 H76 N2 O15,Roxithromycin Esi+14.687011 :1,836.5265,14.687011,0.728141929,0.799310323,0.512209927,0.758528113,0.585408921,0.629234173,0.666366947,-0.620379752,-0.795957748,-0.410918283,-0.583627449,-0.694055927,-0.597829638,-0.634918642
9961,C45 H85 O13 P,PI(18:0/18:1(9Z)) Esi+8.676019,886.5465,8.676019,0.564896468,0.7962186,0.166687464,0.579857585,0.329628397,0.903568483,0.28550396,0.271775962,0.430579932,0.082325611,0.352013002,0.127611119,0.511491642,0.117222431
9962,C17 H14 N8 O18 P S,C17 H14 N8 O18 P S Esi+14.237042 :1,680.9876,14.237042,0.926066931,1.050709932,0.639487357,0.982170022,0.762410085,1.057274815,0.802359887,-0.452757773,-0.549985176,-0.336767188,-0.455142518,-0.452727103,-0.479142561,-0.435746528
9963,C20 H41 N5 O9,Antibiotic JI-20B Esi+13.290021,494.2854,13.290021,0.814867939,0.735149475,0.725339588,0.754599487,0.768854606,0.638667228,0.771088717,-0.691373034,-0.672641908,-0.713718939,-0.624560927,-0.810863154,-0.58068091,-0.762740325
9964,C40 H54 O3,"(3S,3'R,5R,6R)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-beta,beta-carotene-3',5-diol Esi+9.538 :1",599.4386,9.538,0.953368851,0.949015646,0.774275704,0.870018334,0.937682598,0.737374002,0.975996359,-0.561778853,-0.618637145,-0.493947908,-0.502260985,-0.657602128,-0.469416558,-0.621328227
9965,C37 H52 O7,Avenestergenin A2 Esi+12.864011,608.3733,12.864011,1.161097956,1.577910902,0.656918671,1.355333318,1.153693644,1.263179701,1.211105822,-1.497970199,-2.101999072,-0.777374349,-1.497526752,-1.459211404,-1.511596011,-1.489185136
9966,C14 H24 O4,Monomenthyl succinate Esi+8.681999 :1,256.1671,8.681999,0.442562845,0.281815159,0.414442922,0.388679237,0.281998829,0.396145056,0.340556524,0.266879766,0.211946406,0.332414301,0.294731369,0.223310131,0.287807574,0.253386837
9967,C34 H63 O8 P,"PA(18:2(9Z,12Z)/13:0) Esi+8.005004",652.4006,8.005004,0.094801682,0.004903668,0.229081252,0.137258515,0.035424362,0.168600427,0.017277027,-0.123732269,-0.043311345,-0.21967302,-0.181951579,-0.061135,-0.160068805,-0.100304766
9968,C20 H39 N O4,C20 H39 N O4,357.2796,10.531987,0.629285571,0.661292434,0.421848292,0.665130118,0.402794743,0.578900724,0.550275147,-0.382182533,-0.398984856,-0.362137656,-0.418000031,-0.33868782,-0.320990793,-0.421635101
9969,C22 H27 F3 O4 S,Fluticasone Esi+9.829005,466.1399,9.829005,0.07337412,0.048190577,0.009522507,0.141317087,0.254980514,0.008894507,0.059593091,0.027855331,0.060331648,-0.010888346,0.100146839,-0.080599557,0.031873025,0.025264975
9970,C30 H47 N5 O8 P,C30 H47 N5 O8 P,636.3144,13.476012,0.796588463,0.617165484,0.743392394,0.860206326,0.50595124,0.812732719,0.667440799,0.670714201,0.553324257,0.810758344,0.722059491,0.605088721,0.703616643,0.649500784
9971,C37 H56 O9,O-Methylganoderic acid O Esi+10.941982,644.3948,10.941982,0.030917293,0.35845566,0.658666933,0.0862237,0.137590932,0.159552537,0.165720636,-0.01839511,-0.165202559,0.156743601,-0.040562425,0.010633645,-0.09818045,0.033045438
9972,C29 H42 N7 O18 P3 S,"2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA Esi+13.416993",923.1324,13.416993,0.463609392,0.496187086,0.182655771,0.481751695,0.183162575,0.292409367,0.41229547,-0.126617483,-0.194149206,-0.046053324,-0.119142274,-0.157056184,-0.068629002,-0.164004794
9973,C16 H34 N9 O5,C16 H34 N9 O5,432.2671,8.718995,0.26795628,0.476396502,0.022762058,0.384437743,0.136143249,0.34253898,0.182485625,0.150893076,0.316184632,-0.04629685,0.249441841,0.071518126,0.240216943,0.093302688
9974,C22 H23 N13 O18 P S,C22 H23 N13 O18 P S,820.0737,14.084976,0.739501734,0.747756907,0.613081374,0.809088945,0.522403296,0.67086434,0.695973065,-0.333432194,-0.356764455,-0.305597217,-0.319117564,-0.351459177,-0.290200699,-0.361305132
9975,C14 H24 O4,Monomenthyl succinate Esi+8.769019 :1,256.167,8.769019,0.672297488,0.511821063,0.764146999,0.572440684,0.655777754,0.579842499,0.680845795,0.517010531,0.443093433,0.605192332,0.526350921,0.495286188,0.502715116,0.526227312
9976,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+11.547033,452.1612,11.547033,0.807103444,0.802812436,0.854419982,0.944089496,0.821638485,0.792206316,0.90119397,0.477490196,0.448005392,0.512665049,0.443527613,0.521875626,0.363559305,0.550945639
9977,C18 H31 N8,C18 H31 N8,359.2801,8.870005,0.493845703,0.319545056,0.589133301,0.362656435,0.567743807,0.195969497,0.576466872,-0.271154368,-0.153927808,-0.411003596,-0.203909326,-0.385764215,-0.134513094,-0.35925203
9978,C15 H12 I3 N O7 S,Triiodothyronine sulfate,730.7506,6.298998,2.036505001,1.907173767,2.04840954,1.906284841,2.105771208,1.85666383,2.08190268,2.02529486,2.084250405,1.95496193,1.91714494,2.159715081,1.984123428,2.0518396
9979,C24 H36 O5,Lucidone C Esi+14.45098,404.2564,14.45098,0.213585518,0.23766284,0.125295427,0.137103553,0.250263721,0.202420313,0.18738768,0.11501901,0.112867716,0.117585467,0.105171873,0.145521938,0.119876415,0.111887263
9980,C27 H48 N7,C27 H48 N7 Esi+15.341014,470.3955,15.341014,1.615094083,1.838201012,1.384723737,1.735943127,1.550511719,1.833920051,1.506307306,-1.248017379,-1.411322849,-1.05319682,-1.278357016,-1.208770813,-1.373878805,-1.166869882
9981,C11 H3 Cl3 O9 P S5,C11 H3 Cl3 O9 P S5,574.7201,13.298993,1.984975104,2.027150041,2.088423804,2.081633216,2.066854606,2.105729004,2.038813901,1.00576454,1.039750819,0.965219505,1.025545652,0.965267159,1.003098291,1.007483569
9982,C14 H20 O6,2-Phenylethyl beta-D-glucopyranoside Esi+5.9019866 :1,284.1235,5.9019866,2.291111905,2.263143688,2.344328777,2.210439775,2.501541859,2.238666763,2.395084718,2.242475316,2.158119906,2.343109841,2.094521159,2.422654129,2.159485016,2.295982221
9983,C26 H30 N6 O2 S,C26 H30 N6 O2 S,490.215,10.016008,0.207797685,0.091605422,0.220879667,0.205839449,0.030250775,0.194546629,0.126297278,0.211585076,0.159465672,0.273762609,0.276691628,0.108295466,0.260974148,0.179742121
9984,C16 H24 N6 O5,C16 H24 N6 O5,378.201,9.02699,0.358539563,0.524375066,0.109422668,0.187647266,0.419903596,0.336439051,0.319997619,0.272168787,0.481856551,0.022014964,0.222424685,0.306065116,0.343780785,0.225997894
9985,C47 H73 N O17,Amphotericin B Esi+12.924012,940.515,12.924012,1.394973637,1.149573019,1.629234925,1.294347378,1.513061902,1.195780185,1.511046192,0.605788582,0.517733083,0.710837247,0.607397079,0.604626573,0.553472327,0.639518799
9986,C34 H53 N3 O2 P,C34 H53 N3 O2 P,566.4029,15.959974,0.408926413,0.570864364,0.133600416,0.475291551,0.2032369,0.39773782,0.296436749,-0.37275668,-0.649480539,-0.042629971,-0.460857555,-0.289257349,-0.456612156,-0.318691965
9987,C38 H66 N O8 P,"PE(20:5(5Z,8Z,11Z,14Z,17Z)/13:0) Esi+9.933999",712.4752,9.933999,1.241684203,1.201470462,1.23972998,1.228946165,1.183785744,1.215430481,1.184611746,-0.716119457,-0.723239916,-0.707624874,-0.653321612,-0.801340019,-0.68205162,-0.738084247
9988,C49 H93 O12 P,PI(P-20:0/20:1(11Z)) Esi+15.157973,903.6275,15.157973,1.242237729,1.361025007,0.918416852,1.175245345,1.187740428,1.044668296,1.29723139,-0.852463221,-0.957527124,-0.727123827,-0.736276617,-1.007253819,-0.714460674,-0.941438548
9989,C12 H24 N4 O4,Sakacin A Esi+5.5889916,287.1725,5.5889916,0.076088112,0.216450187,0.645574072,0.2385516,0.470659475,0.099976997,0.242941881,0.144073575,-0.070910412,0.4005457,-0.009947545,0.314676758,0.056013394,0.200849218
9990,C30 H52 N3 O5,C30 H52 N3 O5 Esi+14.51703,534.3901,14.51703,0.015663898,0.13990066,0.312785216,0.131105274,0.054740209,0.218338826,0.043931235,0.057548945,-0.097755805,0.242824787,0.123459702,-0.072010604,0.237613378,-0.058545229
9991,C16 H28 N5 O3,C16 H28 N5 O3,338.2113,14.327974,1.179740065,1.148809661,0.965698002,0.966680124,1.253935545,1.204058829,1.085072313,-1.455502832,-1.527654414,-1.36942726,-1.180377942,-1.787738056,-1.445141309,-1.462183287
9992,C19 H34 O7,Tsangane L 3-glucoside Esi+11.08601,396.2129,11.08601,1.238258162,1.032809158,1.418298919,1.08236441,1.300142394,1.060051096,1.282225787,0.882792606,0.722913319,1.07352579,0.774292593,1.012060729,0.732297095,0.979822606
9993,C18 H38 N2 O S4,C18 H38 N2 O S4,424.1704,7.8079915,0.705509365,0.658015655,0.677236521,0.366749576,1.032521284,0.276025472,0.958895267,-0.701365403,-0.778772557,-0.609020027,-0.376815009,-1.108007973,-0.350247723,-0.927743907
9994,C21 H36 N4 O4,Sinapoylspermine Esi+10.806,408.2734,10.806,0.533920727,0.367839152,0.635428854,0.489225936,0.501440378,0.32890355,0.536842528,-0.460852973,-0.379584568,-0.557804755,-0.380044362,-0.577732792,-0.309602163,-0.558369943
9995,C16 H28 O5,Tetranor-PGF1alpha Esi+9.421003,300.1922,9.421003,1.477899109,1.391084418,1.61354825,1.494500609,1.487385392,1.365361451,1.550023079,1.106426936,0.973996226,1.264414448,1.065813172,1.150859925,1.030029939,1.155682894
9996,C23 H30 N23 O P,C23 H30 N23 O P,675.2759,11.338992,1.911291544,1.826080042,1.597467096,1.858115508,1.613687309,1.705099656,1.760133259,-1.0316225,-1.079593459,-0.974393987,-1.031124379,-1.030771789,-1.044423156,-1.023369445
9997,C23 H42 N2,C23 H42 N2,346.3343,12.689961,1.778773964,1.923603951,1.70334139,1.705366606,2.033964731,2.020365973,1.773275785,-0.694264391,-0.7827266,-0.588730527,-0.662888236,-0.728835844,-0.743173778,-0.662730707
9998,C31 H57 O12 P,"PI(22:2(13Z,16Z)/0:0)",652.3638,7.6889896,0.115893245,0.24917635,0.553648643,0.069281636,0.348974883,0.283018711,0.351946241,-0.101548865,0.110382028,-0.354378701,0.003259528,-0.267158842,0.125242073,-0.247769337
9999,C35 H61 N O12,Oleandomycin Esi+10.928974,687.4279,10.928974,0.412029207,0.300131753,0.626218182,0.477510569,0.330179086,0.376139609,0.478769228,0.364943625,0.277493863,0.469269657,0.453585969,0.210852086,0.329055116,0.388082269
10000,C36 H59 N18 O2 P,C36 H59 N18 O2 P,806.4793,14.436021,0.064368212,0.039539025,0.180440179,0.085461521,0.035148227,0.022259546,0.080985654,-0.027546266,-0.215506382,0.196686856,-0.141145019,0.139759838,-0.261629142,0.123375589
10001,C23 H44 N O4,trans-Hexadec-2-enoyl carnitine Esi+11.689963 :1,397.3187,11.689963,0.211236607,0.367321429,0.089000467,0.180858418,0.11104295,0.076857827,0.114438658,-0.123389277,-0.254180234,0.03264204,-0.141671687,-0.097078929,-0.123801197,-0.123123697
10002,C25 H35 N O2 S,C25 H35 N O2 S,413.2402,8.551019,0.42487886,0.250737744,0.53500017,0.118176515,0.854781359,0.096083872,0.702154701,0.132639845,0.080785463,0.194501213,-0.020578879,0.348670261,-0.052072457,0.251730671
10003,C35 H63 N O10,C35 H63 N O10 Esi+15.2939625,657.4465,15.2939625,0.984957327,0.970148376,0.822979435,0.954353111,0.840453555,0.892478321,0.922010296,-0.769280934,-0.888932045,-0.626539259,-0.696211878,-0.86888535,-0.717030485,-0.802968724
10004,C46 H72 N10 O12,Cyanopeptolin A Esi+13.875981,956.5255,13.875981,1.260114564,0.890050202,1.735080792,1.184072125,1.41542371,1.063460151,1.44796135,0.574112237,0.438851957,0.735475379,0.572649168,0.573755157,0.512280619,0.61397736
10005,C37 H73 N2 O6 P,"PE-Cer(d16:2(4E,6E)/19:0) Esi+14.743961",671.5161,14.743961,0.88319378,0.835270117,0.860599037,0.854877639,0.890620654,0.606245767,0.962591098,0.594069746,0.56116337,0.633326475,0.547011558,0.653734611,0.428457227,0.700846238
10006,C23 H36 O8,3''-HydroxyPravastatin Esi+12.900961,462.223,12.900961,1.939996769,1.645568988,2.275116737,1.885992715,2.108691718,1.844741742,2.016203881,1.549768089,1.377764775,1.754965024,1.45418885,1.688541782,1.437503777,1.622149026
10007,C42 H64 O12,Avermectin A2a monosaccharide Esi+13.756025,782.4228,13.756025,0.042206334,0.191350322,0.175541254,0.070127519,0.015957603,0.07122814,0.009148292,-0.024470181,-0.162126897,0.139751866,0.009181653,-0.084520229,-0.053394546,-0.005821578
10008,C12 H25 N8 O,C12 H25 N8 O,297.2157,5.427988,1.130258947,1.097397973,1.108640751,1.152437922,1.169609533,1.081174429,1.146247061,-0.638054258,-0.612912738,-0.668047651,-0.591041287,-0.719732359,-0.53120598,-0.70694328
10009,C10 H26 N6 O2,Spermine NONOate Esi+10.907977,262.2142,10.907977,0.181870823,0.272435575,0.060735956,0.157691837,0.129381576,0.237584011,0.047900013,-0.078398482,-0.191828703,0.056921782,-0.078175193,-0.102871156,-0.098090318,-0.06570243
10010,C44 H72 O12,Tetranactin Esi+15.159972,792.5035,15.159972,0.037615537,0.036357816,0.045848932,0.048916762,0.020741253,0.141386156,0.015762549,0.07764759,0.057873939,0.101237209,0.122895965,-0.001392118,0.129136138,0.044451026
10011,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.631992",414.2252,9.631992,0.191943999,0.079245581,0.255254581,0.272575402,0.043734398,0.532826661,0.084436636,0.155920858,0.108214301,0.212833945,0.304306211,-0.069236795,0.431656794,-0.021856258
10012,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+16.179981",404.3642,16.179981,1.429984299,1.473243274,1.155943147,1.352396246,1.351133286,1.294936419,1.394871775,-1.138976924,-1.302926834,-0.943387558,-1.109075419,-1.185085371,-1.076837422,-1.179040551
10013,C42 H62 O11,Avermectin A1a monosaccharide Esi+13.025956,764.4116,13.025956,1.461260369,1.137061988,1.780956517,1.388087502,1.61403553,1.273368763,1.594065276,0.603703131,0.475289087,0.756898833,0.587167526,0.626357281,0.524832223,0.654554111
10014,C35 H9 N10 O14,C35 H9 N10 O14,793.0302,13.843995,1.79543291,1.722052425,1.922286087,1.795454359,1.7885017,1.852076498,1.807127243,1.078927959,1.07542738,1.083104088,1.083790543,1.054728121,1.139866331,1.039638746
10015,C28 H40 O4,Bolegrevilol Esi+8.37098,457.3243,8.37098,0.37958138,0.278243408,0.532600439,0.531164466,0.166224624,0.506049826,0.231339027,-0.203828889,-0.119740294,-0.304145108,-0.265673662,-0.133271569,-0.245832738,-0.176747461
10016,C26 H47 N O7 P,"PC(18:4(6Z,9Z,12Z,15Z)/0:0) Esi+11.580009",493.3098,11.580009,0.995629222,0.828733466,0.962534209,0.968057492,0.869642211,0.819163018,0.939664456,-0.975942491,-0.857959417,-1.11669423,-0.945167039,-1.058539783,-0.849991569,-1.057147692
10017,C39 H65 N19 P,C39 H65 N19 P,830.5437,14.541014,0.437511949,0.314801228,0.47555931,0.248878302,0.59284558,0.077816423,0.61016215,1.086891819,0.867621389,1.348477596,0.859102047,1.346529725,0.410150192,1.523212079
10018,C19 H16 O5,5-Hydroxywarfarin Esi+10.385008,323.0921,10.385008,0.362417848,0.205493108,0.630677204,0.242977135,0.476578361,0.267463828,0.462709903,0.33614305,0.246400452,0.443204396,0.327263243,0.350581957,0.297739109,0.360903486
10019,C44 H86 N O9 P,PS(P-20:0/18:0) Esi+13.801021,803.5956,13.801021,0.102915722,0.103757383,0.067329169,0.211200029,0.002925176,0.023346242,0.152996658,-0.182224121,-0.008623099,-0.389327095,-0.158226489,-0.27879922,0.316015719,-0.503457702
10020,C39 H66 O13,Alliosterol 1-rhamnoside 16-galactoside Esi+13.6499815,759.4804,13.6499815,0.079245362,0.155553738,0.332673373,0.000414883,0.14044423,0.098498471,0.178585099,0.285671476,-0.058750115,0.696560391,0.279749358,0.267935912,0.045335718,0.440624793
10021,C20 H2 O14 P S2,C20 H2 O14 P S2 Esi+10.068999,560.8624,10.068999,0.74041952,0.820096857,0.524452669,0.529389291,0.829554413,0.689092685,0.678630307,0.276065773,0.338355407,0.201755333,0.211817406,0.353436809,0.302075549,0.259296313
10022,C15 H24 O5,Dihydroartemisinin Esi+7.7729807,306.1439,7.7729807,0.936652737,0.833863832,0.99684157,0.959989465,0.78421302,0.977468083,0.823030542,0.583638064,0.522948436,0.656039725,0.643630737,0.49726058,0.646030664,0.543411256
10023,C24 H46 N23 O4 P,C24 H46 N23 O4 P,751.3833,5.47999,0.187992777,0.003150226,0.406091415,0.250385768,0.058102593,0.047936894,0.252901095,-0.150281278,0.005598569,-0.3362432,-0.165235558,-0.122217732,-0.035933127,-0.224005743
10024,C28 H42 O5,Pubesenolide,458.3001,14.492977,0.841900459,0.972829587,0.487290638,0.896118886,0.596917024,0.980210974,0.617777563,-0.496071653,-0.659185889,-0.301479232,-0.56882832,-0.393627454,-0.65966908,-0.390594365
10025,C20 H41 N O2,Stearoylethanolamide Esi+11.090997,327.3131,11.090997,0.822145013,0.709988986,0.768518216,0.662309061,0.923395005,0.565304039,0.914463535,0.207339489,0.204897632,0.210252581,0.184176535,0.254517319,0.151025245,0.243647357
10026,C47 H84 O16 P2,"PIP(22:4(7Z,10Z,13Z,16Z)/16:0)",988.5017,14.319015,0.168256245,0.24970894,0.082078881,0.229615015,0.041440565,0.098076265,0.141438169,-0.000630055,-0.023444259,0.026586889,0.000655604,-0.001823368,0.041564357,-0.027834348
10027,C22 H47 N O,C22 H47 N O Esi+10.909007,341.3655,10.909007,0.17232839,0.362963607,0.091082167,0.1972379,0.107163301,0.171948541,0.178521127,-0.040925009,-0.125154315,0.059559075,-0.026915587,-0.065272338,0.002553738,-0.06895736
10028,C31 H63 N8 O4 P,C31 H63 N8 O4 P Esi+16.257029,642.4729,16.257029,0.089716893,0.29201681,0.200901836,0.103781026,0.111266867,0.085962528,0.182992933,0.020715993,-0.099022417,0.163561814,0.039323218,0.002966066,0.088632972,-0.023072586
10029,C20 H31 N5 O5,Lys Phe Gln Esi+11.067994,438.2576,11.067994,1.255193897,1.420126444,1.060253201,1.303493878,1.228764635,1.51367445,1.152023254,1.46901562,1.50440574,1.426795827,1.567142807,1.311277559,1.692855293,1.324697935
10030,C17 H43 N7 O4 P,C17 H43 N7 O4 P,440.3124,14.347966,1.280909879,1.250807015,1.268099888,1.337538946,1.176062751,1.071383646,1.358968769,0.758646162,0.774655567,0.739547222,0.77424726,0.73080309,0.634586216,0.838632179
10031,<none>,<none> Esi+5.7600074 :1,462.7205,5.7600074,1.356014537,1.536749568,1.249374898,1.382533696,1.369055171,1.511911921,1.32465463,1.497528962,1.689582972,1.268411899,1.479329543,1.51420721,1.57139617,1.449904052
10032,C53 H78 O11 S,C53 H78 O11 S Esi+14.085995,920.5189,14.085995,0.989183348,0.989496503,0.79245346,0.933691588,0.925693103,0.740988277,1.013614541,-0.780793881,-0.892453603,-0.647585792,-0.652432119,-0.993119582,-0.621974727,-0.883190441
10033,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.272976,314.2087,9.272976,1.499619811,1.361383688,1.644391996,1.334574952,1.643847845,1.339352644,1.616566778,1.645862176,1.399062781,1.940289525,1.47590499,1.870551872,1.602874718,1.673577774
10034,C30 H58 N6 O3,C30 H58 N6 O3,550.4455,15.5990505,1.178347379,1.263196736,0.921072867,1.219920694,0.961023598,1.333216531,1.023707157,-1.072738214,-1.273194179,-0.833597765,-1.225411124,-0.873677043,-1.334853834,-0.903742617
10035,C16 H24 O8,Dihydroconiferin Esi+5.848014,344.1438,5.848014,0.778843857,0.818445464,0.678914324,0.545386977,0.921387711,0.707437866,0.739118048,-0.527204406,-0.587140754,-0.455701394,-0.336809218,-0.770097841,-0.489126099,-0.551754893
10036,C27 H37 F O6,? Methasone valerate Esi+9.656005,498.2441,9.656005,1.940129464,1.758090264,2.09658435,1.915865477,2.02683513,1.764647964,2.010224067,2.685174934,2.415512718,3.006877227,2.623575695,2.835672384,2.525575411,2.788074626
10037,C23 H22 Cl3 N16 O2 P S2,C23 H22 Cl3 N16 O2 P S2,754.0354,14.333007,0.14489721,0.178207951,0.046244965,0.207368688,0.025163795,0.063425751,0.255633608,-0.058489047,-0.090667153,-0.020101132,-0.056621026,-0.079847489,0.032109198,-0.116901074
10038,C13 H25 N O,Ethyl menthane carboxamide,211.193,7.7249846,0.866582813,0.731468081,1.097997016,0.811019594,1.085958438,0.95461005,0.885359013,0.652140991,0.448866537,0.894643848,0.571673045,0.790308036,0.57539347,0.701622946
10039,C32 H67 N4 O P S3,C32 H67 N4 O P S3,650.4214,10.770997,1.013234979,1.073398664,0.929165699,1.058975783,0.844360893,1.157975057,0.923170702,0.538271984,0.611891075,0.450445701,0.592863209,0.429441717,0.670030217,0.453322597
10040,C31 H27 Cl N2 O19 S,C31 H27 Cl N2 O19 S,798.0612,14.163029,0.314049897,0.467772212,0.058825191,0.424002808,0.029047731,0.303437054,0.189027169,-0.093998392,-0.18773936,0.017832939,-0.106459746,-0.08913568,-0.084693827,-0.099997387
10041,C52 H91 N O13,FMC-5(d18:1/18:0) Esi+14.039003,936.6452,14.039003,1.053717274,0.967440202,0.884888254,1.10709587,0.719647128,0.91031671,1.023420995,-0.512654411,-0.564616254,-0.450664843,-0.553996875,-0.470050113,-0.487651547,-0.528774679
10042,C28 H47 N21 O P,C28 H47 N21 O P,724.4014,13.166993,1.122754809,0.942039354,1.211661365,1.009145467,1.156816956,1.014126739,1.137519848,1.170888232,1.020320648,1.350512717,1.205174148,1.110830641,1.099434406,1.216957145
10043,C16 H18 N3 O6,C16 H18 N3 O6,348.1304,7.1800184,1.074263043,1.310502621,0.542179535,0.970715963,0.938277496,1.166383665,0.896484512,-0.584390329,-0.754775301,-0.381124046,-0.607902994,-0.52265822,-0.702747803,-0.508080905
10044,C22 H31 N5 O6,Glu Trp Lys Esi+11.46599,478.2536,11.46599,0.316006412,0.120981408,0.470757546,0.394605802,0.060550697,0.429953353,0.144495314,0.278374571,0.12085678,0.466290531,0.412866355,0.084994558,0.394112539,0.203754038
10045,C15 H28 N2,C15 H28 N2,236.2248,10.378005,1.683757157,1.840474225,1.740846851,1.682601184,2.075753593,2.06423145,1.751101894,-0.651955973,-0.748794968,-0.53642875,-0.646146794,-0.667176784,-0.689572997,-0.627702891
10046,C26 H45 N O6 S,Taurodeoxycholic acid,499.2926,11.519025,2.030165171,1.829382523,2.233473585,1.872084085,2.154470987,1.776660321,2.185957746,3.040430178,2.747689901,3.389664191,2.902087742,3.21265642,2.816637316,3.18471768
10047,C24 H42 N6 O3,C24 H42 N6 O3,460.3162,14.593014,0.419181939,0.394446924,0.29877707,0.503998513,0.261393511,0.303850885,0.394402027,-0.078459943,-0.078881726,-0.077956764,-0.064485975,-0.10344959,0.001453029,-0.129982781
10048,C8 H14 N9 O S,C8 H14 N9 O S,284.1025,7.1180134,0.633439125,0.413035872,0.802521212,0.484970433,0.687543907,0.557015077,0.615603223,0.454468259,0.36186811,0.564938612,0.419619086,0.490637196,0.445626937,0.460168585
10049,C41 H56 O7,Neurosporaxanthin ?-D-glucopyranoside Esi+12.596999,659.388,12.596999,0.777675498,0.904723561,0.421076613,0.904073354,0.56309037,0.682765579,0.74333688,-0.580189035,-0.849347391,-0.259087839,-0.634433938,-0.516830564,-0.609725014,-0.561146101
10050,<none>,<none> Esi+13.303971,650.782,13.303971,0.192458597,0.235453631,0.072985068,0.220858719,0.106963957,0.18015503,0.055755886,-0.029587495,-0.081248288,0.032042925,-0.05677875,-0.008096287,-0.075458449,-1.28E-05
10051,C16 H24 P,C16 H24 P,247.1618,7.784025,0.214993113,0.24469754,0.221203371,0.235755964,0.228448704,0.253882816,0.264939565,0.118233973,0.138699646,0.093818784,0.136796092,0.077170321,0.121324858,0.116241166
10052,C25 H54 Cl2 N2 P,C25 H54 Cl2 N2 P,481.2881,8.821021,0.419012274,0.360503163,0.409457552,0.348237802,0.400576951,0.53111002,0.325839107,0.28147642,0.303288208,0.255455341,0.252242701,0.304162144,0.396173976,0.207526681
10053,C30 H59 O10 P,PG(12:0/12:0) Esi+16.24902,632.3661,16.24902,1.510901234,1.473754093,1.75229952,1.60336035,1.629672911,1.822865061,1.372928642,1.040752602,1.000162324,1.089176091,1.072655913,0.978051652,1.160219283,0.963728031
10054,C34 H46 O7,25-Cinnamoyl-vulgaroside Esi+13.215025,588.3124,13.215025,0.333713363,0.032469152,0.85633008,0.426359826,0.238147286,0.401778577,0.299643824,0.169125745,0.063532253,0.295096928,0.202589094,0.116047758,0.189642372,0.155897919
10055,C27 H38 F6 O3,"26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxycholecalciferol",523.2665,12.832016,1.095987294,0.977385801,1.156908527,0.911223542,1.135687665,0.953234299,1.165666968,-0.620852603,-0.662606096,-0.571041418,-0.56975657,-0.674912848,-0.678172847,-0.58389613
10056,C47 H76 N4 O2 P,C47 H76 N4 O2 P,759.5699,13.931956,0.082049251,0.15888436,0.174319001,0.115696681,0.063148793,0.158321748,0.093253176,0.014267805,-0.030754807,0.06797899,0.034748158,-0.031210664,0.128631032,-0.059466381
10057,C21 H40 N2 O,C21 H40 N2 O,336.3138,13.259018,1.245453167,1.496194756,0.907160492,1.281580514,1.195901607,1.664890599,1.113922885,-0.459994743,-0.589766615,-0.305179176,-0.487720257,-0.400595604,-0.600003747,-0.369725779
10058,C16 H26 O6,Perilloside A Esi+6.1500144 :1,314.1719,6.1500144,0.082004911,0.222252378,0.133904969,0.316781141,0.303384129,0.180591368,0.021006989,-0.016230559,-0.118763443,0.106089372,-0.119670091,0.1440893,-0.07019534,0.018562523
10059,C34 H53 N12,C34 H53 N12,629.4535,14.079004,0.867385227,0.839592361,0.655677114,0.727088781,0.798557371,0.732547666,0.816661329,1.448706211,1.610341515,1.25587813,1.537466255,1.332149758,1.55528669,1.37998985
10060,C32 H4 N3 O14 P,C32 H4 N3 O14 P Esi+10.836989,684.9431,10.836989,0.636230751,0.710409089,0.490003282,0.604263386,0.518283499,0.887893138,0.46852058,0.312478482,0.405359724,0.201672791,0.361090108,0.221021448,0.487310198,0.199758034
10061,C14 H20 O4,QH(2) Esi+7.723015,252.1354,7.723015,1.636327217,1.502496072,1.734211869,1.62436894,1.610142891,1.638549502,1.616808818,1.531008445,1.46384455,1.611133793,1.546287503,1.459887379,1.593617709,1.490641946
10062,C27 H38 O3,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Esi+9.031005",427.3122,9.031005,0.576067831,0.547630993,0.624174258,0.864103874,0.304440024,0.582396553,0.509574201,-0.313890365,-0.247067124,-0.393609319,-0.433466835,-0.166327996,-0.271151581,-0.341445634
10063,C11 H15 N5 O5,Nelarabine Esi+2.728005,319.0892,2.728005,1.277852871,1.210969112,1.384445785,1.12965794,1.5492035,1.207456258,1.399075745,0.441827426,0.470088039,0.408113011,0.398722848,0.510542752,0.454224763,0.433834406
10064,C34 H42 O4,Flavidulol C Esi+11.753003,514.3136,11.753003,1.44593077,1.330057952,1.598356364,1.53604023,1.383115632,1.476236044,1.467270274,1.315275787,1.129116764,1.537360235,1.36899108,1.231646386,1.302471583,1.323531129
10065,<none>,<none> Esi+10.9619875,558.819,10.9619875,1.375135884,1.174164794,1.723146431,1.351226949,1.43865493,1.22689187,1.513905075,0.686110802,0.60260028,0.785737391,0.706062819,0.66195159,0.63564003,0.718651169
10066,C23 H36 O8,3''-HydroxyPravastatin Esi+10.552001,440.2378,10.552001,0.483243095,0.146738443,0.919160116,0.449695124,0.467744162,0.505699165,0.494473112,0.411630695,0.14241163,0.732804318,0.454975006,0.353029189,0.439771915,0.393487014
10067,C34 H52 O S,C34 H52 O S,506.3652,14.224046,0.823751692,0.875585588,0.633539838,0.782327692,0.756336743,0.689904116,0.789611773,-0.658674634,-0.763141583,-0.534047397,-0.584663084,-0.781809062,-0.550136964,-0.728652868
10068,C33 H66 N O4,Hexacosanoyl carnitine,539.4909,14.158992,0.179996492,0.294448503,0.052804411,0.287302616,0.114203095,0.231528034,0.155756864,-0.119363708,-0.20312471,-0.019438302,-0.147113112,-0.07462111,-0.13110625,-0.111792858
10069,C11 H23 N O2 S,Hexahomomethionine,255.1276,4.4390106,0.974270472,1.147407371,0.522898177,0.979922161,0.759289041,1.026436575,0.765698654,-0.687324496,-0.915594715,-0.41500213,-0.760518008,-0.588286926,-0.846269047,-0.584847089
10070,C25 H34 N2 O3,Tilorone Esi+8.347012,427.2781,8.347012,1.192974709,1.347916913,0.990075803,1.343503772,1.137393102,1.512356609,1.004643083,-1.924068348,-2.116118516,-1.694955867,-2.098368567,-1.719772127,-2.359866177,-1.643093431
10071,C25 H31 N O9,Terbinafine metabolite glucuronide,489.2037,7.808989,0.437643743,0.29644566,0.529705345,0.473582476,0.407875205,0.440563667,0.411793048,0.437969382,0.426218187,0.451988351,0.481920238,0.377518213,0.512729259,0.389768935
10072,C19 H37 N16 O13 P,C19 H37 N16 O13 P,728.2413,6.302989,1.785359394,1.673703726,1.737707522,1.6465403,1.854801239,1.61451655,1.797117461,1.524791097,1.646291448,1.37984331,1.426806179,1.646406126,1.546303098,1.510921517
10073,C28 H45 N21 O P,C28 H45 N21 O P Esi+12.956032,722.386,12.956032,0.892212291,0.670169162,1.085493205,0.815465149,0.972927492,0.720462659,0.955214893,0.970482184,0.665028349,1.33488325,0.905441534,1.072833071,0.734159956,1.122847831
10074,C32 H52 N6 O3,C32 H52 N6 O3,568.4096,15.196029,0.216441701,0.27660292,0.142346525,0.053342354,0.440017574,0.260389557,0.177460454,-0.105279405,-0.17471783,-0.022440583,0.016214919,-0.250138858,-0.182644289,-0.055399414
10075,C12 H25 N8 O P,C12 H25 N8 O P,328.1881,8.831023,0.307978214,0.476000228,0.081089471,0.33655943,0.238320267,0.402442423,0.264907916,0.129924196,0.254696674,-0.018927182,0.163168534,0.061562732,0.227922663,0.066740973
10076,C32 H54 O13,Goshonoside F5 Esi+12.010989,668.3421,12.010989,1.387962064,1.317460969,1.476854324,1.508903038,1.380105797,1.448020044,1.406596348,1.034708126,0.961233931,1.122361552,1.061799851,0.985829005,1.058949631,1.019078735
10077,C17 H30 N6 O4,Val His Lys Esi+10.931022,382.231,10.931022,2.070373189,1.99652016,2.132385607,2.127471282,2.018004733,2.072748044,2.049039871,2.559256713,2.457054601,2.681182039,2.549671298,2.57620399,2.652765173,2.498968364
10078,C37 H61 N2 O4 S,C37 H61 N2 O4 S,629.4327,9.537996,0.508518025,0.400510401,0.541343581,0.363707146,0.534510127,0.593014204,0.406070829,0.260375253,0.280277773,0.236631896,0.24780359,0.252700865,0.371849701,0.188503569
10079,C53 H95 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/22:0) Esi+8.719978 :1",969.6436,8.719978,0.313495664,0.130276991,0.559471712,0.404648612,0.238287124,0.000131335,0.448293168,-0.145316338,-0.01644838,-0.299053552,-0.145142608,-0.170597152,0.040654329,-0.265218479
10080,C29 H50 N2 O3,DL-PPMP Esi+9.552001,473.3711,9.552001,1.175169279,1.389463723,1.075849663,1.428930826,1.14823233,1.612932859,1.115710747,-0.419219484,-0.493888823,-0.330140273,-0.440289498,-0.385022171,-0.489404634,-0.373968531
10081,C24 H32 O8,17?-Estradiol 3-D-glucuronide Esi+9.38099,470.1987,9.38099,2.032140984,1.936697354,2.129768243,2.107656868,2.00923613,2.08632152,2.050703262,3.46286322,3.299098648,3.658231481,3.424018214,3.48725134,3.363830399,3.526713328
10082,C46 H75 O13 P,"PI(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",866.5013,14.166993,0.284005013,0.203665682,0.364429019,0.318009961,0.172682562,0.384411307,0.194284109,0.266565847,0.232787324,0.306863033,0.336882921,0.14161013,0.374822384,0.19676887
10083,C16 H24 O4,"Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate Esi+9.479987",280.1652,9.479987,0.852997581,0.902038453,0.802694884,0.582770349,1.121899249,0.836289228,0.897824072,0.484044062,0.496837863,0.468781282,0.332947513,0.662389132,0.474313729,0.490317566
10084,C32 H56 O9,C32 H56 O9 Esi+13.451985,584.392,13.451985,1.43885445,1.304112815,1.653107547,1.487168648,1.434874553,1.449292056,1.47673711,2.043368718,1.751042154,2.39210918,2.056033792,1.998943162,1.897831235,2.137202095
10085,C20 H26 O8,Gibberellin A43 Esi+8.599983,394.161,8.599983,0.292106773,0.384302413,0.200427918,0.362241379,0.218991515,0.071734946,0.411150007,-0.26535903,-0.342999668,-0.17273511,-0.35701221,-0.140146259,-0.134772709,-0.349552842
10086,C36 H65 N O13,Erythromycin C Esi+14.572017,736.4756,14.572017,0.429642279,0.2172896,0.826766076,0.466777781,0.469940241,0.500884018,0.420125664,0.585232228,0.365582821,0.847270118,0.656868464,0.464025908,0.70434553,0.508435494
10087,C36 H64 O11,Vinaginsenoside R12 Esi+14.568042,694.4298,14.568042,0.812200219,0.879553637,0.607023618,0.857463078,0.722254997,0.735036598,0.801399826,-0.873316523,-0.949409564,-0.78253886,-0.858004388,-0.853360649,-0.809687574,-0.914340451
10088,C36 H56 O11,Elatoside G,664.3788,13.662026,1.337839273,1.137695668,1.443354946,1.303658783,1.279527788,1.232008494,1.342466601,0.989263726,0.866145969,1.13614105,1.027167515,0.925647024,0.976904391,0.997232244
10089,C24 H48 N O4,Heptadecanoyl carnitine,413.3504,12.864011,1.551651208,1.590641637,1.27970637,1.503760749,1.38015722,1.455998466,1.451716208,-0.743520895,-0.832966014,-0.636814438,-0.737665692,-0.746322984,-0.780210028,-0.71986606
10090,C21 H28 O4,11-Dehydrocorticosterone Esi+10.548005,343.1897,10.548005,0.592555829,0.668983169,0.28149967,0.681013342,0.387242834,0.628768428,0.460754974,-0.250706852,-0.373635671,-0.104054927,-0.23037805,-0.264558213,-0.303433547,-0.216712008
10091,C23 H25 N16 O8 P,C23 H25 N16 O8 P,684.1775,6.349987,1.484185652,1.45830926,1.348468419,1.431554874,1.41891398,1.244452383,1.534855062,-0.905113473,-0.931728965,-0.873361657,-0.834830819,-0.991221866,-0.842687794,-0.945361608
10092,C20 H33 N O2,N-hydroxy arachidonoyl amine,319.2502,9.922016,0.159968183,0.32197854,0.133245042,0.005101659,0.228129766,0.121663152,0.140457401,-0.009484552,-0.092612453,0.089685575,0.040598154,-0.076285824,0.015132395,-0.025356005
10093,C13 H20 N6 O4,Valacyclovir Esi+7.1629906,324.154,7.1629906,0.320765319,0.089700608,0.461481777,0.175933879,0.372170207,0.121481379,0.363430245,-0.055273327,-0.004934121,-0.115327115,-0.039975101,-0.068033502,-0.013608675,-0.082136062
10094,C16 H36 N,Tetrabutylammonium Esi+9.974006,241.2753,9.974006,0.980684658,0.780659146,1.155134379,0.773150049,1.139174844,0.542856665,1.221193059,0.466190265,0.380761836,0.568104881,0.411769914,0.568468913,0.312567045,0.565236814
10095,C15 H26 O3,formyl 7-oxo-11E-tetradecenoate Esi+10.392012,254.1881,10.392012,0.255846221,0.228987039,0.175674984,0.246564845,0.092277362,0.006953972,0.368172307,-0.236564,-0.217023564,-0.259875397,-0.323231982,-0.140138644,-0.045848172,-0.359525521
10096,C28 H44 N9 O2,C28 H44 N9 O2 Esi+15.0959635,536.3545,15.0959635,0.500125787,0.542037109,0.32926777,0.619790677,0.351128087,0.347093164,0.45426186,-0.124203314,-0.170480619,-0.0689953,-0.148933479,-0.111507329,-0.074447827,-0.156282509
10097,C12 H23 O14 P,Maltose 6'-phosphate,444.0666,8.859987,0.096403074,0.379746283,0.301384371,0.210759504,0.087457874,0.681188626,0.347820338,-0.062026232,-0.207967947,0.112079674,-0.117223928,0.036411015,-0.359628399,0.129848849
10098,C33 H46 O8,Avermectin B1b aglycone,570.3204,8.550019,1.123724792,1.090344221,1.110796872,1.106784799,1.125519188,1.035813147,1.156991297,0.800948862,0.789995359,0.814016198,0.780191024,0.823594563,0.757985122,0.828649167
10099,C43 H77 O12 P,"PI(P-16:0/18:3(9Z,12Z,15Z)) Esi+14.238023",838.5051,14.238023,0.95625277,0.787506143,1.067958709,0.890892952,0.967324818,0.994668385,0.986112785,0.844903745,0.841187258,0.84933745,0.9068819,0.760159546,0.954821241,0.774035887
10100,C43 H63 N7 O8 S,Trunkamide A Esi+14.155025,854.4806,14.155025,0.784392779,0.573700696,0.904512955,0.794182933,0.639321462,0.728838902,0.774336141,0.851437377,0.749834398,0.97264795,0.905318564,0.753283889,0.835518123,0.861701107
10101,C37 H65 N O14,Erythromycin E Esi+14.343995,764.4699,14.343995,0.674338424,0.503193648,0.925883111,0.620564196,0.683428002,0.603642927,0.73768675,0.614542091,0.504321137,0.746033756,0.586638918,0.631961795,0.553237127,0.65406766
10102,C28 H50 O4,"ergosta-3beta,5alpha,6beta,25-tetrol Esi+16.487045",450.3681,16.487045,1.162461775,1.343203105,0.953061213,1.318023253,1.048633149,1.147923929,1.197554402,-0.975104979,-1.174914381,-0.736735867,-1.106015788,-0.81680739,-0.984476501,-0.969062813
10103,C15 H29 N8 O2,C15 H29 N8 O2,353.2397,8.944983,1.077091795,0.926514036,1.271102743,1.223339769,0.932414068,0.977973197,1.101705703,-0.685921792,-0.530350569,-0.871515532,-0.742905634,-0.632481778,-0.488173748,-0.813417241
10104,C22 H42 O4,Dioctyl hexanedioate Esi+11.741967,387.3403,11.741967,0.920011097,0.949582943,0.613666977,0.770798077,0.918410705,0.759695325,0.921278484,-0.871592116,-1.079216529,-0.623899835,-0.91465878,-0.846129499,-0.866459081,-0.874901573
10105,C12 H24 N12,C12 H24 N12 Esi+11.107004,336.231,11.107004,0.084938336,0.108250198,0.199749572,0.085597721,0.135661378,0.165715008,0.223805395,0.012756633,0.067219258,-0.052216322,0.074824374,-0.043590201,0.117570968,-0.05482103
10106,C17 H34 N4 O4,Ile Lys Val,357.2504,6.8859887,0.502012551,0.445992144,0.642374529,0.378181059,0.770816117,0.217710822,0.71709453,0.124336039,0.131064916,0.116308607,0.07939217,0.187977634,0.052850742,0.170425244
10107,C48 H85 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)) Esi+9.124017 :1",851.5804,9.124017,0.216173745,0.176364275,0.23418135,0.388603449,0.024373409,0.26004224,0.127170655,-0.254116202,-0.220324497,-0.294429114,-0.350120244,-0.148550631,-0.240817676,-0.262690252
10108,C10 H15 N4 O,C10 H15 N4 O,207.1311,5.317994,0.344389384,0.404344886,0.139541988,0.394004442,0.406422589,0.218163738,0.387786587,-0.158302518,-0.232550446,-0.069726044,-0.083150217,-0.279419006,-0.054263652,-0.225380209
10109,C28 H41 N O2,N-(2-phenoxy-ethyl) arachidonoyl amine Esi+13.733979,423.3193,13.733979,0.030966738,0.303042619,0.389905946,0.184343326,0.230256167,0.294694038,0.166152812,0.03239819,-0.138063089,0.235755504,-0.005914283,0.098210112,-0.109294503,0.123752689
10110,C36 H58 O11,Cyclopassifloside VI Esi+13.449969,666.3972,13.449969,0.220985954,0.040097441,0.541244266,0.313286697,0.157707315,0.318941675,0.18257638,0.388842926,0.162160894,0.659270612,0.49610049,0.215523043,0.405136708,0.378337724
10111,C14 H24 O4,Monomenthyl succinate Esi+4.7479897 :1,273.1935,4.7479897,0.18059025,0.386450256,0.188752627,0.278897988,0.022754655,0.253605857,0.037707203,-0.176887746,-0.453494929,0.153099771,-0.273755115,-0.028914254,-0.268389279,-0.117893336
10112,C18 H21 N3 O4,C18 H21 N3 O4,343.1712,8.06201,0.011159431,0.066169074,0.017084196,0.208009562,0.225219674,0.443376808,0.244136341,-0.110507254,-0.127146822,-0.090656541,-0.25323115,0.110719968,-0.392062527,0.071021804
10113,C25 H48 N O4,Elaidic carnitine Esi+12.679991,425.3502,12.679991,0.149509819,0.196533757,0.005626915,0.169560548,0.039798793,0.179851117,0.292947603,-0.059065757,-0.13171554,0.02760416,-0.096367861,-0.034902596,0.282629853,-0.279369505
10114,C18 H37 N O,Stearamide Esi+10.906987,283.2869,10.906987,0.180448767,0.1666409,0.815484996,0.246785978,0.202877503,0.055440879,0.374124934,0.05009243,-0.036533831,0.153436039,0.061168293,0.045523948,0.009992804,0.075946136
10115,C23 H44 O5,"1,2-Didecanoyl-sn-glycerol Esi+14.8279505",400.3171,14.8279505,0.296449062,0.04103197,0.57516252,0.151270264,0.401562448,0.209353815,0.345039209,0.19645667,0.081307839,0.333827206,0.162906494,0.243687496,0.165486431,0.216424324
10116,C38 H74 N O7 P,PE(P-18:0/15:1(9Z)) Esi+14.606987,709.5083,14.606987,1.186552097,1.303591391,0.94761037,1.263429755,1.059121968,1.113843729,1.147392267,-0.910921033,-1.066495248,-0.725323724,-0.883244284,-0.954847675,-0.846060474,-0.952739026
10117,C23 H49 N S,C23 H49 N S Esi+13.371023,371.356,13.371023,0.801966781,0.724083028,0.690140919,0.82659686,0.638780308,0.545278787,0.836905758,0.684158658,0.647649724,0.727713176,0.72413278,0.657175278,0.576194028,0.753767433
10118,C27 H53 N8 P,C27 H53 N8 P,520.4139,16.342028,1.313497957,1.335312445,1.064435299,1.317154384,1.114022214,1.363181108,1.127551509,-1.169568921,-1.357025463,-0.945936556,-1.15586425,-1.185569499,-1.281148604,-1.097629389
10119,C12 H16 O4,"3',4',5'-Trimethoxycinnamyl alcohol Esi+6.0090017",224.1045,6.0090017,0.094656327,0.097236131,0.080430538,0.19399233,0.033871613,0.137660015,0.258005778,-0.101293291,-0.105443075,-0.09634267,-0.080252832,-0.117302125,0.075550578,-0.215311048
10120,C42 H61 Cl N2 O,C42 H61 Cl N2 O,643.4419,14.297044,1.110939206,1.144121635,0.738670988,0.832632148,1.100287267,0.775473237,1.059027898,-0.681119979,-0.817546942,-0.518365005,-0.537867581,-0.886729137,-0.553671386,-0.763290782
10121,C14 H22 O3,Geranyl acetoacetate Esi+8.905021,238.1531,8.905021,1.307325738,1.261330647,1.207857003,1.279729071,1.240138796,1.125736628,1.338370483,1.309929589,1.332408634,1.283112482,1.271256115,1.334021844,1.190689486,1.386808076
10122,C35 H72 Cl N2 O7 P,C35 H72 Cl N2 O7 P,698.4724,13.768011,1.357636862,1.438197769,1.293888313,1.296819069,1.376812923,1.480501202,1.290693077,1.5168148,1.650693138,1.357100291,1.514328382,1.498195824,1.618361575,1.451343852
10123,<none>,<none> Esi+10.976005,470.7667,10.976005,1.413730164,1.20267828,1.686824692,1.360608209,1.5795158,1.205423566,1.609953851,0.686268794,0.587974163,0.803532564,0.687735113,0.688297252,0.608834216,0.736193719
10124,C16 H33 N O,Palmitic amide Esi+14.803969,255.256,14.803969,2.067471594,2.157640943,1.878967591,2.137024738,2.042739915,2.213645453,2.018968326,-1.027536181,-1.14413111,-0.888440476,-1.036658681,-1.010731626,-1.070769679,-0.999661952
10125,C43 H83 Cl N5 O4 S3,C43 H83 Cl N5 O4 S3,864.5288,14.676022,0.513105591,0.395010481,0.594345183,0.519581761,0.478333506,0.567817907,0.480097669,0.472931128,0.438923654,0.513501449,0.518811768,0.408950773,0.577354913,0.405605267
10126,C28 H46 O7,Makisterone A,494.322,14.476021,0.157254808,0.539011277,0.393960391,0.280722247,0.016830293,0.249330979,0.117766417,-0.216671372,-0.796169938,0.47466025,-0.460244893,0.085433111,-0.375228729,-0.114443603
10127,C19 H30 O3,"5-Androstene-3b,16b,17a-triol",328.2007,12.275978,0.461974723,0.541699548,0.327972917,0.47239908,0.317937598,0.342839955,0.516666056,0.402444629,0.449595711,0.346194215,0.468368257,0.310672667,0.418148619,0.392319687
10128,C34 H59 N O12,C34 H59 N O12 Esi+14.169981,673.405,14.169981,0.453655048,0.74959587,0.044868632,0.583931109,0.252929067,0.68230667,0.234187274,-0.39009712,-0.668968763,-0.057408143,-0.499040207,-0.237348885,-0.606540829,-0.250547886
10129,C23 H41 N O5,N-oleoyl glutamic acid Esi+9.979985 :1,411.297,9.979985,0.331585066,0.215412001,0.389683072,0.159874459,0.402118987,0.146611574,0.365205283,-0.146765472,-0.066293354,-0.242767297,-0.024319092,-0.312861546,-0.037543418,-0.217184954
10130,C35 H54 O3,Panaxydol linoleate,539.435,14.814958,0.59043583,0.573821175,0.620497041,0.596923402,0.661577519,0.294172982,0.789328236,0.414359826,0.408227118,0.42167604,0.354573911,0.474684366,0.227344526,0.53493548
10131,C40 H58 O5,"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol Esi+13.725026",617.4207,13.725026,0.189201594,0.38710027,0.141909833,0.248361483,0.040121427,0.293741129,0.031549876,-0.099585944,-0.317463009,0.160337573,-0.128496604,-0.067331881,-0.214203678,-0.025687668
10132,C8 H19 N4 O6 P,Thalassemine,298.1036,6.354989,0.503311269,0.175535625,0.786333481,0.340348942,0.526377416,0.631964174,0.316139063,0.268455658,0.193799112,0.357519608,0.283784428,0.23105116,0.45589467,0.147606822
10133,C17 H2 N O18 P S2,C17 H2 N O18 P S2,602.8453,11.083986,1.385917747,1.187999623,1.642225022,1.343730448,1.522640396,1.232825852,1.550236491,0.645999056,0.570485734,0.736085124,0.655159135,0.63304335,0.600286042,0.67547192
10134,C27 H44 N16 O P,C27 H44 N16 O P,639.3618,8.599,0.187428426,0.264447782,0.040828744,0.16447134,0.271882322,0.316502299,0.108540034,0.039702769,0.105343513,-0.038605488,-0.033131564,0.148671372,0.034836467,0.042840253
10135,C32 H49 N O5,Daphniphylline Esi+13.158996,526.3495,13.158996,0.335304458,0.328300273,0.432326152,0.534954016,0.155560902,0.63196021,0.205668953,0.347229533,0.305141522,0.397439791,0.505106839,0.107732362,0.571117811,0.202880511
10136,C16 H21 N O2,2-Heptyl-4-hydroxyquinoline-N-oxide,281.1389,8.252998,1.358789267,1.283998903,1.369867683,1.217932041,1.453185508,1.263375996,1.411344505,-0.7816823,-0.7529399,-0.815971479,-0.707405624,-0.878951288,-0.793544059,-0.774034587
10137,C46 H75 N O13,Tolytoxin Esi+14.627988,848.5121,14.627988,0.080566014,0.042967467,0.29501236,0.077316624,0.100503779,0.16248085,0.058991672,0.177102764,0.027335503,0.355772479,0.234442422,0.080723013,0.242311533,0.135060268
10138,C25 H52 N2 O S2,C25 H52 N2 O S2,460.3522,14.722967,1.245092835,1.227809639,1.226585233,1.272336988,1.24141711,1.283055004,1.21348013,-0.751247515,-0.836006815,-0.650131157,-0.703759172,-0.823145232,-0.770899303,-0.738577283
10139,C23 H38 O7,Prostaglandin PGE2 1-glyceryl ester,448.2444,12.012977,2.007301852,2.049118849,2.212479667,2.06145628,2.179847473,2.291783286,2.018876755,1.130080634,1.055431427,1.219135827,1.092459017,1.174516099,1.246054047,1.055308302
10140,C34 H54 N7 O P,C34 H54 N7 O P,607.4107,12.413999,0.47145557,0.47338374,0.39211623,0.384735474,0.418704936,0.546522386,0.357027068,-0.420269976,-0.398484764,-0.446259352,-0.367563047,-0.499616489,-0.553183618,-0.334575655
10141,C40 H54 O3,Adonixanthin/ 4-Ketozeaxanthin Esi+13.889963 :2,581.4053,13.889963,1.017196816,0.969089667,1.054727538,0.865029297,1.083047573,0.909711404,1.104050837,0.64964191,0.680726706,0.612558295,0.657275772,0.620559517,0.681824244,0.628892775
10142,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+9.854003",342.2034,9.854003,0.235011401,0.1455888,0.263497757,0.086784113,0.319392436,0.051185208,0.357382973,0.245085726,0.189863479,0.310964897,0.186090354,0.316248798,0.101778962,0.337480876
10143,C34 H65 O13 P,PI(13:0/12:0),712.4135,5.730993,1.377111369,1.363715532,1.569919325,1.242085642,1.703033808,1.600575706,1.363088894,0.808484089,0.705062044,0.931864774,0.715806917,0.918050678,0.861184802,0.774505998
10144,C49 H93 O13 P,PI(18:1(9Z)/22:0) Esi+11.625982 :1,942.609,11.625982,1.039408765,0.897662205,1.156802683,1.006370757,0.946464378,1.104866404,0.950205325,0.593963658,0.582965591,0.60708416,0.616283755,0.529935264,0.702975833,0.523679493
10145,C27 H48 O8 S,5?-Cyprinolsulfate,532.3042,14.40899,0.563931464,0.472222587,0.609401454,0.521224746,0.541456307,0.647695999,0.506468852,0.815101763,0.780120265,0.856834077,0.840049399,0.780555166,0.961409797,0.720771583
10146,C18 H26 O7,Propofol glucuronide Esi+8.265013,354.1655,8.265013,1.015741171,1.032153299,1.235462468,0.991095349,1.310668676,1.311194475,0.98610161,1.175131843,1.125142615,1.234768114,1.161761063,1.208765952,1.282114817,1.106155978
10147,C20 H26 N4 O7,Thr Trp Glu,433.1714,14.177984,2.104684685,2.033339822,1.743896345,2.003136246,1.848696629,1.841280849,1.984452095,-1.586858766,-1.675705965,-1.480865616,-1.55405424,-1.629318739,-1.58916823,-1.585369769
10148,C24 H24,"1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene",312.1908,8.802985,0.417175648,0.574879742,0.1849825,0.588045143,0.145230781,0.535414054,0.275783961,-0.309905716,-0.381619322,-0.224352644,-0.440606488,-0.141349947,-0.393421873,-0.256059773
10149,C15 H23 N3 O3 S,Amdinocillin,325.1512,4.835006,0.40064042,0.502411849,0.238937146,0.335632567,0.490106161,0.550872827,0.289291306,0.481054921,0.532871918,0.419238152,0.457524881,0.493772433,0.609567204,0.398198317
10150,C24 H41 N O3,"N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine",391.3074,11.78701,1.453273414,1.300871476,1.653644392,1.390259875,1.679401605,1.325564723,1.574887503,0.737918717,0.627874911,0.869199046,0.634615693,0.884204974,0.642904405,0.799177945
10151,C25 H43 N8 O2 P,C25 H43 N8 O2 P,518.3368,15.093995,0.486003681,0.60028979,0.375356103,0.638469358,0.271912846,1.057702062,0.173641372,0.415411557,0.550192916,0.254619759,0.523845045,0.234016536,0.76341739,0.191039375
10152,C30 H47 N15 P,C30 H47 N15 P,648.3879,14.412029,0.407764318,0.399666138,0.303698877,0.314861112,0.456441704,0.429312994,0.296066496,-0.306803008,-0.405167717,-0.189455635,-0.232616238,-0.449346573,-0.413138712,-0.238244462
10153,C48 H79 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) Esi+14.457017",845.58,14.457017,0.843083432,0.995591136,0.484010834,0.818406827,0.780083169,0.838164124,0.778635828,-0.998882578,-1.278450283,-0.665363209,-0.982911349,-1.0082848,-1.01906034,-0.98587323
10154,C17 H20 O4,Angeloylsenkyunolide F Esi+9.621991,288.1339,9.621991,1.039251741,0.964256438,1.172815201,0.908229793,1.175741815,0.923133173,1.041285417,0.753674877,0.702863577,0.814291866,0.705592122,0.804385198,0.624975872,0.836651867
10155,C56 H82 O6 S,Sulfated Dihydromenaquinone-9 Esi+14.26497,882.5842,14.26497,1.308085171,1.245313369,1.400293457,1.496315896,1.176735449,1.516973106,1.214897503,0.736832643,0.700348321,0.780357799,0.784811423,0.65896674,0.808179575,0.690832647
10156,C20 H43 N15 O,C20 H43 N15 O,509.3941,14.399968,0.74075056,0.670294172,0.654522595,0.683308578,0.719101905,0.552270808,0.731791259,-0.356372285,-0.411937534,-0.290083917,-0.331132608,-0.383911073,-0.24710391,-0.426821632
10157,C17 H24 O4,6-Hydroxyshogaol,292.1661,12.032976,1.149140573,1.012198337,1.160231996,1.263501519,0.840994791,1.096624473,1.027584534,0.62866533,0.605480834,0.656324027,0.722781337,0.507867086,0.655858488,0.611132899
10158,C37 H61 N6 O3 S,C37 H61 N6 O3 S,669.4525,13.520016,1.402130083,1.32894134,1.53967262,1.350492144,1.462958788,1.447809304,1.413300766,0.605535748,0.613719444,0.595772742,0.601519037,0.59601676,0.640072596,0.58326857
10159,C36 H47 N5 O4,Indinavir Esi+12.835999,630.3864,12.835999,0.081249791,0.301620931,0.283413228,0.025558041,0.062384921,0.287886191,0.144092012,-0.049724187,-0.330916101,0.285732834,0.009169567,-0.126919745,-0.299298074,0.111185293
10160,C18 H49 N16 O2 P,C18 H49 N16 O2 P,552.3982,14.195002,1.089269849,0.883226569,1.123115857,1.060514394,0.935664452,0.820862721,1.113673562,1.154426508,1.108565893,1.209137416,1.107866982,1.216057229,1.052924977,1.219868284
10161,C33 H44 N7 O19 P3 S,"(E,E)-Piperoyl-CoA Esi+13.298023",967.1577,13.298023,0.510803574,0.490217106,0.283149684,0.48477343,0.248603349,0.320881397,0.514845456,-0.151853582,-0.20715629,-0.085878421,-0.140524815,-0.187820703,-0.094758121,-0.188665129
10162,<none>,<none> Esi+14.553969,834.5111,14.553969,0.161803722,0.338468152,0.237864585,0.034186964,0.254789379,0.144048671,0.30091441,-0.058662373,-0.205080335,0.116011688,0.077133288,-0.243039632,0.113248005,-0.169499327
10163,C21 H39 N7 O,C21 H39 N7 O,405.3227,15.028026,0.049120468,0.087061813,0.085749515,0.012308573,0.008700841,0.03598879,0.022506408,-0.038395951,-0.002583314,-0.081119799,-0.057244582,-0.017372755,-0.069533746,-0.018320267
10164,C29 H52 N10 O6,Argiotoxin 636,636.4059,9.087999,0.408196306,0.604680454,0.081537337,0.414955045,0.302584964,0.647761397,0.235140706,0.173024139,0.308888848,0.010939926,0.202904602,0.114045474,0.336966355,0.067324553
10165,C25 H51 N8 O,C25 H51 N8 O,479.4172,16.218996,1.312671102,1.457153937,0.903496457,1.196892035,1.209585157,1.342140904,1.202320268,-0.694437303,-0.826623577,-0.536741396,-0.689992816,-0.698557324,-0.734521645,-0.668593451
10166,C25 H53 N8 O2 P S,C25 H53 N8 O2 P S,559.3737,12.563981,1.814991291,1.684075878,1.648050711,1.681606486,1.624178691,1.55459982,1.778842247,1.467617191,1.538170995,1.38344774,1.475739082,1.437245801,1.420768632,1.497822182
10167,C6 H9 N3 O4,1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole,187.0615,2.674006,0.051194367,0.371221433,0.256877074,0.250169275,0.255937645,0.377929924,0.136260354,-0.114434732,0.253980819,-0.553948021,0.105377956,-0.413639173,0.294911881,-0.378355574
10168,C37 H71 N O8 P,"PC(12:0/17:2(9Z,12Z)) Esi+10.166014",687.4757,10.166014,0.707495483,0.591156484,0.735867688,0.577968116,0.730756648,0.887905923,0.530314014,0.333775036,0.332389755,0.335427652,0.319223604,0.330024889,0.471847586,0.244754576
10169,C14 H16 O4,Citreovirenone,248.1031,6.3979864,0.406287571,0.19604663,0.487329164,0.175975977,0.529495889,0.129308587,0.497513083,0.242821331,0.150966295,0.352402777,0.174675885,0.325559124,0.121422033,0.32109193
10170,C26 H54 N2,C26 H54 N2,394.4281,13.690977,1.385559891,1.454148066,1.118828256,1.177511314,1.542812648,1.269076356,1.371266492,-0.440971564,-0.570100291,-0.286923258,-0.425528693,-0.45311895,-0.461340359,-0.427839052
10171,C19 H16 O5,5-Hydroxywarfarin Esi+10.552983 :1,323.0923,10.552983,0.819020537,0.673659508,0.707470965,0.72517511,0.699639738,0.40718273,0.897199096,-0.533304571,-0.472382904,-0.605983052,-0.405091689,-0.677911933,-0.229673859,-0.729066478
10172,C47 H59 Cl N15,C47 H59 Cl N15,866.51,13.906986,0.872271699,0.697124913,1.191960146,1.081360191,0.634584239,0.995734589,0.851050902,0.459570806,0.382141272,0.551942882,0.569199068,0.293241184,0.506416212,0.429367847
10173,C8 H18 O8,D-erythro-D-galacto-octitol,241.0935,0.8880004,0.958497186,0.950912244,0.965426421,0.932287636,0.901304742,0.822700842,1.003129311,0.492590063,0.488889058,0.497005297,0.455167526,0.537317209,0.421123342,0.53866729
10174,C16 H24 O5,"3,8-Dihydroxy-6-methoxy-7(11)-eremophilen-12,8-olide Esi+6.9360075",296.1592,6.9360075,1.036076649,0.954744681,1.100984454,0.925765711,1.048489069,1.083780856,0.960808431,-0.404357185,-0.35964452,-0.457698609,-0.4029431,-0.405960953,-0.411472106,-0.399769933
10175,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+5.8669868",298.1395,5.8669868,0.677449354,0.816879289,0.40648148,0.571800443,0.686262888,0.783053197,0.595158228,0.738261843,0.860034454,0.592989255,0.711919863,0.764512167,0.917180958,0.622906098
10176,C33 H56 O6,cholesteryl beta-D-glucoside Esi+14.608954,548.4054,14.608954,0.154920548,0.210013105,0.044565104,0.062061625,0.295269598,0.112885692,0.296513545,-0.155524776,-0.20930581,-0.091364944,-0.075469182,-0.252731598,0.017691269,-0.267203541
10177,C16 H21 N5 O4,C16 H21 N5 O4,347.1848,9.827,0.05359596,0.227646749,0.207454366,0.23725449,0.129666268,0.130252077,0.124944077,-0.009433091,-0.135900089,0.141439818,-0.079057284,0.080598548,0.082327798,-0.068594717
10178,C61 H94 O7,Thermocryptoxanthin-15,937.6802,13.430979,0.13853461,0.075975245,0.258932649,0.028247149,0.322800714,0.278006822,0.135128824,0.098457341,0.074005052,0.127628493,0.087462407,0.100430737,0.185516918,0.042326824
10179,C23 H6 O21 P,C23 H6 O21 P Esi+9.988018,648.9144,9.988018,0.539220712,0.628535496,0.407759076,0.516608931,0.475472672,0.605046392,0.455730778,0.21307243,0.291246114,0.119812595,0.232306801,0.186871691,0.323200613,0.142068732
10180,C37 H65 N O14,Erythromycin E Esi+14.251973,764.48,14.251973,0.833662915,0.804436738,0.779006147,0.948074621,0.67752307,1.070987992,0.670117665,0.71132423,0.700276922,0.724503475,0.789681266,0.59852214,0.900666496,0.589248296
10181,C36 H65 N O13,Erythromycin C Esi+12.764972,718.4385,12.764972,0.710984721,0.988235821,0.131686653,0.63429155,0.612627071,0.97342177,0.487434187,-0.425094084,-0.681138459,-0.119637636,-0.399947822,-0.427495245,-0.66392183,-0.271113037
10182,C28 H44 O3 S,"(6S)-vitamin D2 6,19-sulfur dioxide adduct / (6S)-ergocalciferol 6,19-sulfur dioxide adduct Esi+10.349984",460.2982,10.349984,1.358056696,1.461395315,1.200342731,1.476633017,1.140891353,1.504639839,1.235926557,1.781214245,1.803074423,1.755135437,1.894677237,1.605993097,1.961783614,1.664794521
10183,C30 H44,"4,4'-Diapo-zeta-carotene Esi+15.355971",426.3314,15.355971,0.611054654,0.680497201,0.480035605,0.435225645,0.778722954,0.53875575,0.63408847,0.377315525,0.463741037,0.274211405,0.243134157,0.533685745,0.352291289,0.393449572
10184,C28 H52 O5,C28 H52 O5 Esi+14.870049,468.3808,14.870049,1.11589392,1.3084645,0.830198101,1.085091236,1.067113623,1.201865805,1.006590431,-1.025123094,-1.28534635,-0.714681314,-1.006980056,-1.067975594,-1.118493639,-0.964923664
10185,C26 H49 O5 P S2,C26 H49 O5 P S2,536.2761,14.399969,0.955065946,0.982208215,0.76173159,0.907994363,0.758498713,1.026968487,0.797957566,0.646884037,0.69078599,0.594509777,0.713003661,0.554517621,0.786544618,0.556839715
10186,C29 H24 O6,Dichamanetin Esi+10.793968,468.1554,10.793968,0.332227731,0.332551452,0.048092393,0.169449056,0.68788991,0.123942509,0.300875953,-0.083500629,-0.109064781,-0.053003045,0.025379094,-0.241886305,-0.057329181,-0.100374326
10187,C19 H36 N8 O9,streptothricin F acid Esi+13.247009,520.2654,13.247009,1.43321538,1.154254888,1.700877781,1.376175521,1.484218174,1.415772122,1.436208315,0.869496552,0.721139189,1.046484283,0.823861686,0.941377301,0.805162115,0.910975333
10188,C21 H32 O2,Eicosapentaenoic Acid methyl ester,333.2662,10.615985,0.642682294,0.82584073,0.388358243,0.580939692,0.634576078,0.727862752,0.556655377,-0.277010778,-0.34690518,-0.193627982,-0.245280735,-0.316050382,-0.280882188,-0.274514737
10189,C28 H57 N O8 P,"1,2-Didecanoyl PC Esi+9.162997",566.3818,9.162997,0.611501246,0.612771617,0.595075642,0.865945956,0.278577316,0.969489318,0.360794564,-0.733082328,-0.695963147,-0.77736486,-0.935342996,-0.46976117,-0.991351074,-0.566566952
10190,C29 H57 O12 P,PI(20:0/0:0) Esi+13.1850395,628.3757,13.1850395,1.902164,1.753779289,2.137776545,2.022821724,1.894188071,1.917890936,1.967225793,1.056520403,0.968405589,1.161639831,1.068593206,1.039271294,1.016858457,1.082091922
10191,C13 H24 Cl O16 S2,C13 H24 Cl O16 S2 Esi+12.716004,535.0223,12.716004,1.82489304,1.801540752,1.943830288,1.83521539,1.926177865,1.785142376,1.951037788,0.930829896,0.950080638,0.907864099,0.946511373,0.900339089,0.920074918,0.937764027
10192,C24 H44 N6 O2 P,C24 H44 N6 O2 P,479.3314,13.497014,0.181580424,0.168401034,0.168443911,0.144662835,0.560586584,0.042135318,0.337160384,0.277737732,0.257296766,0.302123446,0.028956337,0.621399429,0.087072008,0.400666949
10193,C22 H26 O7,Clusin Esi+9.37999 :1,424.1505,9.37999,0.78325012,0.766776758,0.779486933,0.639049219,0.973735378,0.859345512,0.780399632,0.632151376,0.590793784,0.681490258,0.578709064,0.726940366,0.656417553,0.616506078
10194,C16 H25 N O4,Serratanidine,295.1736,5.6939807,0.724528523,0.781123505,0.464724039,0.837233722,0.473470638,0.942394279,0.454031158,0.38471292,0.491575387,0.257227871,0.399493734,0.342755714,0.55780273,0.273115542
10195,C34 H50 O8,"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone Esi+7.6120276",603.3823,7.6120276,0.942835859,0.774859128,1.129513103,0.879390508,0.973915969,0.683089356,1.02648371,-0.534710498,-0.402940864,-0.691909359,-0.464721641,-0.646160438,-0.359141791,-0.647906111
10196,C8 H14 O3,C8 H14 O3 Esi+3.6580062,157.1114,3.6580062,0.282179174,0.421092913,0.122762924,0.420936039,0.181544133,0.473256506,0.21886571,0.324211656,0.381228912,0.256191068,0.398591968,0.221116566,0.412206481,0.26747815
10197,C24 H8 N2 O22,C24 H8 N2 O22,675.9565,13.88402,1.779088528,1.823676936,1.850872368,1.789863778,1.859163702,1.950689845,1.776928161,0.976052915,1.025494058,0.917070499,0.992553885,0.937728897,1.048461775,0.929368255
10198,C21 H3 Cl N5 O18 P S2,C21 H3 Cl N5 O18 P S2,742.8366,12.760988,1.11803156,1.014091709,1.211533953,1.305996282,0.747033635,1.001891362,1.070392532,-0.481000328,-0.419592938,-0.554258266,-0.554657013,-0.403074162,-0.410998873,-0.526132845
10199,C20 H30 N6 O5,Pro Arg Tyr,434.2275,9.837012,2.38857294,2.371107379,2.209583254,2.429057332,2.291057132,2.370467302,2.320251567,-2.272841651,-2.336825965,-2.196509488,-2.331975437,-2.20807675,-2.243657568,-2.291657705
10200,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+5.8830147",226.1201,5.8830147,0.704458311,0.677345211,0.61576581,0.75720985,0.492082471,0.807474683,0.562412784,0.288479239,0.313117463,0.25908627,0.364107109,0.18851016,0.403686859,0.214200641
10201,C28 H53 N O8 P,"PC(18:2(9Z,12Z)/2:0)[U] Esi+12.55003",562.3512,12.55003,1.758878983,1.875122763,1.344847608,1.705230551,1.566271253,1.758316948,1.603015682,1.578209471,1.79697318,1.317228204,1.632397084,1.487508286,1.721247335,1.48598769
10202,C52 H88 N7 O4 P,C52 H88 N7 O4 P,905.6618,15.277034,0.461950931,0.41932934,0.461342321,0.336966781,0.537757863,0.28739668,0.521240569,-0.14096393,-0.15388514,-0.125549152,-0.089744116,-0.217282532,-0.037372374,-0.207753222
10203,C19 H35 N15 P,C19 H35 N15 P Esi+9.751982,504.2921,9.751982,0.144612301,0.462901178,0.281907683,0.286727368,0.079905163,0.493247216,0.086935181,0.269054832,0.606623808,-0.133659035,0.488336169,-0.064787536,0.669028206,0.011177262
10204,C22 H44 N17 O,C22 H44 N17 O,562.3938,13.8290205,0.031106849,0.092998792,0.247520518,0.196157489,0.148764053,0.24438871,0.094218576,0.024457304,-0.058707783,0.123671794,0.134202009,-0.150733989,0.204113203,-0.091373473
10205,C20 H32 O5,15(R)-PGE2,374.2072,11.716,0.602109467,0.607137835,0.646340828,0.590271941,0.555738463,0.750662989,0.582151554,0.342460366,0.313298044,0.377250503,0.382193015,0.286529988,0.397804741,0.306777808
10206,C25 H47 O7 P,"PA(22:2(13Z,16Z)/0:0) Esi+8.369997",490.3084,8.369997,0.33160885,0.512716381,0.022581378,0.240027264,0.267832442,0.406131275,0.200844133,0.137891763,0.277504729,-0.028664056,0.146328078,0.110506287,0.256621063,0.06134261
10207,C16 H31 N8,C16 H31 N8,335.267,13.849032,0.651624523,0.982450357,0.210505908,0.836026083,0.384931456,0.835370522,0.512309394,-0.333033164,-0.552478595,-0.071238615,-0.394717482,-0.224413884,-0.431442029,-0.269585343
10208,C25 H46 O2,"22:2(5Z,9Z)(13Me,17Me,21Me)",377.3479,14.506035,0.487814635,0.398864838,0.616193357,0.591212823,0.412490316,0.547997578,0.477735957,0.431284998,0.379032693,0.493621082,0.476472817,0.359354825,0.42376073,0.436136171
10209,C18 Cl3 N2 O4 P S5,C18 Cl3 N2 O4 P S5 Esi+12.028009,602.7443,12.028009,0.383313212,0.175439591,0.735629846,0.231227639,0.574597998,0.269381425,0.513388994,0.314028068,0.21012067,0.43798777,0.24580852,0.37839179,0.243235502,0.359670643
10210,C16 H28 N6 O4,Pro Arg Pro Esi+10.162996,368.2161,10.162996,2.004925444,1.833779263,2.059563403,1.876366251,2.11976404,1.878244235,2.003695237,2.325230581,2.11772269,2.572783855,2.125955015,2.608133506,2.273568933,2.358538749
10211,C24 H40 N15 O,C24 H40 N15 O,552.3399,15.222965,1.612118413,1.600781876,1.69153176,1.754208199,1.566696476,1.794510189,1.540864793,1.003357292,1.027535592,0.974513005,0.998797436,0.987927925,1.015975068,0.995222147
10212,C11 H18 O3,C11 H18 O3 Esi+6.9300113,198.1258,6.9300113,1.389597413,1.349328466,1.22411142,1.286548862,1.368739052,1.165899408,1.439517542,1.18901655,1.157519983,1.226591402,1.111989829,1.274140036,1.086075814,1.255386235
10213,C25 H48 N3 O3,C25 H48 N3 O3,438.3697,14.799012,1.446250458,1.381318105,1.522790943,1.453631968,1.415461993,1.479843475,1.420709591,-1.088464211,-1.129754204,-1.039205973,-1.140033721,-1.009799994,-1.106599883,-1.076771474
10214,C22 H36 O2,"2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol",331.26,7.4899926,0.827935165,0.866380377,0.695050705,0.732076888,0.901985987,0.820193087,0.771472601,-0.584111211,-0.616150465,-0.545888943,-0.502832112,-0.732830716,-0.626784807,-0.556597971
10215,C38 H64 P S2,C38 H64 P S2,615.4185,8.93299,0.565129296,0.384501376,0.66989718,0.504278043,0.484804609,0.565508359,0.496754229,0.395493298,0.350864651,0.448734491,0.405824844,0.35189898,0.470569751,0.347088743
10216,C48 H76 N13 O10,C48 H76 N13 O10,994.5819,14.572017,0.406633945,0.30448361,0.40646888,0.344398205,0.3233284,0.384006905,0.316888122,0.295496577,0.245465067,0.355183291,0.325804067,0.246165711,0.31491011,0.282979957
10217,C34 H52 O S,C34 H52 O S Esi+14.214042,506.3578,14.214042,0.672753131,0.735071579,0.572936509,0.980032818,0.275397327,0.630594468,0.704925382,0.631840995,0.6924849,0.55949388,0.829549002,0.344940783,0.586759804,0.660906499
10218,C10 H16 N5 O13 P3,2-Hydroxy-dATP Esi+11.876974,524.0264,11.876974,0.307287288,0.20781668,0.531124577,0.297300085,0.368569666,0.361424091,0.332274247,0.145825303,0.115353767,0.182177312,0.150586897,0.113791413,0.163691954,0.134306016
10219,C31 O14 P,C31 O14 P Esi+9.989992,626.9013,9.989992,0.133514183,0.147898438,0.204738331,0.122892474,0.166451625,0.022636561,0.266216095,0.035898676,0.060314737,0.006770743,0.049040543,0.022839122,0.012252413,0.051144293
10220,C26 H34 O7,Hydroxystrobilurin D Esi+13.024979,480.2133,13.024979,1.953751785,1.726291722,2.179097866,1.870352553,2.110063435,1.694523772,2.115073992,1.93475162,1.766162432,2.135875563,1.764348019,2.194331529,1.762611231,2.045736871
10221,C32 H60 N3 O10,C32 H60 N3 O10,642.412,14.29801,1.232316569,1.093351628,1.38388063,1.380251754,1.073153088,1.122772534,1.31992481,0.964620046,0.861973115,1.087076034,1.060828657,0.816183945,0.927612878,0.98847993
10222,C46 H82 N O9 P,"PS(P-20:0/20:4(5Z,8Z,11Z,14Z))",822.562,15.336004,0.845859146,0.927109106,0.722630628,0.852585787,0.821205713,0.972330895,0.822780262,0.48548285,0.551298478,0.406965961,0.479103996,0.470235977,0.544373945,0.447513592
10223,C25 H51 O9 P,PG(19:0/0:0) Esi+8.760008,526.321,8.760008,0.148452288,0.414848953,0.308150554,0.279504833,0.180665599,0.397982219,0.088145566,-0.056138291,-0.164000201,0.072539075,-0.131387371,0.047950052,-0.163542892,0.013109412
10224,C19 H32 O4,"methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate Esi+12.170977",324.2277,12.170977,1.523252776,1.537440927,1.364454577,1.371265199,1.516476144,1.53978209,1.451954488,1.372410862,1.488380566,1.23406104,1.367664654,1.344375199,1.511867025,1.282498335
10225,C10 H21 N14 P,C10 H21 N14 P,368.1815,8.489012,0.417560678,0.550212227,0.308229571,0.605833782,0.157630946,0.79543067,0.181533258,0.291685563,0.422433158,0.135705975,0.405983348,0.097999714,0.506384306,0.153261373
10226,C26 H45 N O7 S,Tauroursocholic acid Esi+11.108981,515.2942,11.108981,1.500613944,1.290622348,1.754785527,1.482971617,1.595013998,1.360739872,1.613713389,0.74069874,0.638634195,0.862459952,0.74860057,0.73249561,0.67892162,0.780528725
10227,C18 H31 N8,C18 H31 N8 Esi+8.803979,359.2665,8.803979,0.843899451,0.985382203,0.539778462,0.75431029,0.855730345,0.853420153,0.801692882,0.624493676,0.818709541,0.392797558,0.585909184,0.656210677,0.692059066,0.580931781
10228,C25 H53 N2 P S2,C25 H53 N2 P S2,476.3453,14.291993,0.490915578,0.646848294,0.050748181,0.123969853,0.609174943,0.399811127,0.362157274,-0.200013723,-0.36883915,0.00139205,-0.030805477,-0.395044672,-0.214401357,-0.190737486
10229,C16 H26 N6 O5,Leu His Asn Esi+9.250983,382.1967,9.250983,0.230139329,0.2602694,0.025671327,0.065060937,0.203404522,0.261699904,0.172762895,0.215231201,0.288376153,0.127970557,0.205229992,0.200981848,0.339413696,0.135166171
10230,C20 H40 N2 O12 S5,C20 H40 N2 O12 S5 Esi+12.945009,660.1159,12.945009,0.36155957,0.395395085,0.197366554,0.425288202,0.106925838,0.246959246,0.344467652,-0.074446053,-0.115310119,-0.025695938,-0.090861339,-0.070016221,-0.053701592,-0.087820771
10231,C42 H77 Cl2 N3 O2 P,C42 H77 Cl2 N3 O2 P,756.5137,14.336978,0.785446933,0.592206154,0.871299527,0.677733291,0.710695006,0.801720397,0.647371074,0.971739683,0.904080863,1.052455468,1.040113242,0.839897666,1.142197186,0.861839451
10232,C21 H2 N2 O22,C21 H2 N2 O22 Esi+11.245028,633.91,11.245028,1.666765916,1.669793419,1.608534615,1.623204607,1.662335061,1.646286882,1.700203143,1.004118355,1.070235634,0.925241601,1.027085991,0.944910543,1.068419449,0.962661072
10233,C35 H66 O4,Artemoin D,567.5221,14.433028,0.598856952,0.502290203,0.508478741,0.375016438,0.607850068,0.341887374,0.623010911,0.451977487,0.431934299,0.475888659,0.386907378,0.542421114,0.357484457,0.512900625
10234,C45 H78 N7 O8 P,C45 H78 N7 O8 P,875.5762,14.156986,0.731758202,0.702265235,0.608549247,0.843396212,0.438202846,0.724342759,0.637370146,-0.410411705,-0.455561341,-0.356548982,-0.410203124,-0.433921419,-0.410263033,-0.41050756
10235,C33 H65 O10 P,PG(15:0/12:0) Esi+12.81299,674.4127,12.81299,1.045079069,1.276771233,0.601657556,0.962865273,1.072998992,1.195105184,0.95181886,-0.566249973,-0.764758281,-0.329433046,-0.501388429,-0.624497178,-0.663897803,-0.50329282
10236,C32 H7 N3 O17,C32 H7 N3 O17 Esi+14.158989,704.9773,14.158989,1.544765954,1.487441194,1.660567688,1.407938654,1.718257659,1.359391305,1.71382697,1.035953419,1.01218482,1.064308942,1.023029519,1.051137539,0.988731567,1.066399088
10237,C15 H30 N6 O5,Val Thr Arg,374.2272,8.048981,0.23065142,0.247833854,0.062250511,0.240053024,0.517116045,0.026477397,0.364646588,0.155683731,0.216896114,0.082658432,-0.059419939,0.386753505,0.01121337,0.248829096
10238,C32 H34 O18,"Kaempferol 3-[2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl-(1-6)-glucoside]",728.1602,12.84699,0.907160522,0.927336002,0.698636747,0.896939738,0.622253657,0.757839735,0.908609877,-0.821672073,-0.982161305,-0.630211236,-0.786365745,-0.894968873,-0.696950202,-0.902084859
10239,C21 H40 N2 O,C21 H40 N2 O Esi+12.829024,336.3128,12.829024,1.444526862,1.594834174,1.236892422,1.484304956,1.363686335,1.768416147,1.262195869,-0.644363995,-0.750170282,-0.51813895,-0.696175894,-0.557388694,-0.834407362,-0.521836034
10240,C16 H30 O5,"10-hydroxy-hexadecan-1,16-dioic acid Esi+13.108962",302.2093,13.108962,1.206980306,1.293081137,0.936917513,1.142919827,1.210787502,1.29390919,1.09905261,-0.596058785,-0.662449527,-0.516855795,-0.543704235,-0.647936213,-0.627223569,-0.5759657
10241,C15 O18 P S,C15 O18 P S,530.8523,12.117987,2.061322065,1.988595408,1.951696148,2.01050277,1.972019469,1.926429387,2.051165777,1.724705394,1.776435733,1.662992008,1.722249749,1.701905968,1.761383701,1.701057539
10242,C14 H22 O4,(-)-trans-C75 Esi+7.715975 :1,254.1504,7.715975,0.365800084,0.186264498,0.620416621,0.329626749,0.373085502,0.488811031,0.317053935,0.233434486,0.152569934,0.329904479,0.262174214,0.190031447,0.295240047,0.193586165
10243,C21 H28 O8,3-O-Methylniveusin A Esi+8.849983,408.1758,8.849983,0.160624009,0.36165224,0.006509037,0.194453927,0.125241734,0.597483615,0.07916641,0.246935056,0.402986629,0.060768268,0.357667064,0.063292937,0.595980967,0.021892298
10244,C34 H53 N3 O2 P,C34 H53 N3 O2 P Esi+15.959974,566.391,15.959974,0.461883466,0.473694645,0.429432966,0.499163405,0.443000447,0.470721765,0.348434646,-0.345788478,-0.441366302,-0.23176581,-0.383855543,-0.329655941,-0.315775281,-0.365139092
10245,C13 H21 N8 P,C13 H21 N8 P,318.1677,7.9060054,2.061133492,1.972690508,2.125313151,1.913125164,2.231495846,1.765160678,2.23289538,1.896625032,1.842832801,1.960798221,1.951644693,1.832091606,1.873133931,1.911770611
10246,C12 H18 O4,"3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid Esi+6.0810137",226.1198,6.0810137,0.355670799,0.039975367,0.687418482,0.280131353,0.349348037,0.455299149,0.252000119,0.274048844,0.09475083,0.48794823,0.291673967,0.24990773,0.383589487,0.203423956
10247,C16 H34 O3,C16 H34 O3,274.2507,14.037039,1.241634432,1.101209724,1.329676149,1.208395385,1.180201403,1.231391008,1.175425739,-0.897550269,-0.786869036,-1.029591038,-0.91050403,-0.877996099,-0.900699209,-0.895520031
10248,C14 H22 O4,(-)-trans-C75 Esi+7.2580223 :1,254.1511,7.2580223,0.340993513,0.424979929,0.214097719,0.32494081,0.394363273,0.421623344,0.273506713,0.180113478,0.284557915,0.055513096,0.222953969,0.130216209,0.317299673,0.091664483
10249,C37 H50 N28 O5,C37 H50 N28 O5,966.4551,14.268011,0.039461969,0.020980909,0.235627692,0.18368792,0.039695242,0.253296953,0.014138188,0.032646018,0.004416788,0.066322994,0.091144363,-0.058978081,0.095421924,-0.007827921
10250,C9 H14 N7 O2,C9 H14 N7 O2,252.1167,0.87699914,0.302069545,0.596619685,0.108364552,0.214508436,0.330812249,0.242820321,0.270992799,-0.09613061,-0.324965258,0.176865111,-0.087969948,-0.106133143,-0.184436876,-0.039196306
10251,C22 H37 Cl3 N2 O10 P S,C22 H37 Cl3 N2 O10 P S,656.1135,12.634017,0.253939145,0.368436392,0.26808526,0.169549203,0.063111655,0.181785828,0.145170834,-0.03512848,-0.192689943,0.152839582,0.011931567,-0.12050583,-0.070095805,-0.012583757
10252,C27 H31 N2 O7 S2,Sulforhodamine B,581.1449,9.909025,0.307513952,0.245094864,0.317407745,0.292022759,0.197537539,0.165478251,0.329932173,-0.307361826,-0.259821851,-0.364076182,-0.375976957,-0.263131101,-0.22299847,-0.36175399
10253,C28 H54 N3 O22,C28 H54 N3 O22,784.3202,6.399005,0.802128635,0.759101696,0.628086702,0.654101701,0.744837522,0.639924914,0.718144679,-0.531615204,-0.521773928,-0.543355673,-0.412986372,-0.716661064,-0.429592733,-0.597392849
10254,C26 H51 N O8 P,PC(16:1(9Z)/2:0) Esi+11.968014,553.3696,11.968014,1.560403254,1.600172092,1.676447906,1.493874834,1.721715618,1.703687839,1.56221145,1.342453709,1.43121791,1.236559574,1.386001612,1.243042041,1.408487143,1.299879521
10255,C14 H22 N6 O5,Valganciclovir Esi+8.079985,354.1651,8.079985,1.061410933,0.922330876,1.191569923,0.923880057,1.181009893,0.856460475,1.175207953,0.957176936,0.80459224,1.139207802,0.841524985,1.113869778,0.785620982,1.06778538
10256,C15 H2 Cl3 N5 O5 P S5,C15 H2 Cl3 N5 O5 P S5,626.7635,12.729984,0.184046492,0.099285897,0.346227792,0.183640689,0.168077136,0.147658277,0.257892132,0.153966508,0.13186841,0.180329151,0.189623721,0.09215622,0.155046137,0.153270431
10257,C36 H6 N7 O11 P,C36 H6 N7 O11 P Esi+12.444016,742.9862,12.444016,1.36802372,1.369465404,1.433265494,1.392405446,1.350353462,1.436146085,1.394639541,0.762513518,0.802380452,0.714952966,0.800780905,0.685313844,0.840997434,0.711912047
10258,C47 H74 O16,C47 H74 O16,894.4979,13.8879595,0.849911296,0.830684454,0.601237621,0.688997589,0.895995809,0.760998148,0.791696206,-0.504333502,-0.601320743,-0.388629425,-0.43601151,-0.608654763,-0.500030217,-0.507107988
10259,C10 H14 O2,"(3E,8E)-suspensolide",166.0992,7.4439797,1.280315447,1.211949137,1.499084284,1.109714281,1.71598251,1.200870516,1.486731724,1.018593487,0.843872442,1.227032628,0.806449791,1.325076933,0.776632475,1.174594666
10260,C16 H29 N O5,Butoctamide hydrogen succinate Esi+5.896983,315.204,5.896983,0.660744747,0.881612828,0.288124924,0.893086849,0.369846837,0.93256539,0.543596098,-0.436490152,-0.666899861,-0.161615411,-0.531317692,-0.314247852,-0.501149874,-0.394801646
10261,C25 H45 N2 O5,C25 H45 N2 O5,453.3315,12.891035,0.612570832,0.445422004,0.874641893,0.814843446,0.424153096,0.730812856,0.603618517,0.390461949,0.309296046,0.487291449,0.447144388,0.307712451,0.435173038,0.361635063
10262,C15 H25 N5 O15 P2,Phosphoribulosylformimino-AICAR-P Esi+12.856996,599.0643,12.856996,1.77244625,1.77702991,1.689796997,1.735982661,1.786249882,1.689310879,1.806586376,1.136242221,1.210993638,1.047065091,1.15530679,1.090221744,1.125991888,1.142850988
10263,C20 H34 O6,TXB2,392.2172,13.216006,0.891413461,0.501705952,1.143644906,0.701933252,0.985374529,0.686554124,0.95325581,0.568076166,0.384143976,0.787504041,0.458291949,0.738254419,0.415012804,0.666761754
10264,C23 H52 N22 O6,C23 H52 N22 O6,732.4442,13.988023,0.626927534,0.989557268,0.143716482,0.620803448,0.479056599,0.770136915,0.483243251,-0.201056453,-0.387182867,0.020989092,-0.210677335,-0.181502809,-0.281551456,-0.149158359
10265,C17 H26 N3 O7,C17 H26 N3 O7,384.1786,8.64298,0.018798402,0.13229904,0.16143792,0.063158382,0.037877097,0.087936821,0.065780014,0.058331126,-0.015079259,0.145908427,0.026926238,0.104193986,0.082029866,0.043051675
10266,C23 H42 O7,C23 H42 O7 Esi+12.111016,430.2935,12.111016,0.360938059,0.273815103,0.551848774,0.4669676,0.212033212,0.530639092,0.28050525,0.437373789,0.368542834,0.519487911,0.575924132,0.230324797,0.554184734,0.36206147
10267,C16 H27 N8,C16 H27 N8 Esi+7.416009,331.2173,7.416009,0.887583289,1.160307606,0.51847922,0.952972333,0.782722097,1.134685663,0.736688324,0.609091369,0.860699277,0.308927548,0.656777069,0.536909083,0.813947244,0.477013239
10268,C26 H48 N O9 P,"PS(20:2(11Z,14Z)/0:0) Esi+12.23704",548.3004,12.23704,0.198706042,0.098409827,0.173578265,0.104186556,0.172435746,0.109679372,0.176331111,0.206236012,0.166813541,0.253266329,0.162981775,0.261468739,0.171840588,0.228412009
10269,C31 H53 N5 O8,Hydroxyhomodestruxin B Esi+13.81398,645.3746,13.81398,0.162341629,0.538810163,0.363293141,0.213310082,0.0715453,0.297739087,0.062046349,-0.100461079,-0.533248023,0.415846152,-0.131709036,-0.048090774,-0.269822005,0.008732149
10270,C49 H69 Cl O14,Brevetoxin C,938.4229,13.92897,0.160152246,0.011884493,0.322642369,0.295724434,0.019854087,0.273876824,0.100577625,0.091792651,0.043016919,0.149981244,0.16220599,-0.020144329,0.141088244,0.060009967
10271,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.218995,525.5111,14.218995,0.441367133,0.374967883,0.375291368,0.245114723,0.741065199,0.246567365,0.615954779,0.286625422,0.394534961,0.157891235,0.130564547,0.513266576,0.094281268,0.410636785
10272,C20 H48 N8 S3,C20 H48 N8 S3,496.314,14.093014,0.796063263,0.5916982,1.098784272,0.894004261,0.658836292,1.02502051,0.648094729,0.519603271,0.417536638,0.641366973,0.543083813,0.467555934,0.600017582,0.467757201
10273,C28 H56 O5 P,C28 H56 O5 P Esi+14.954038,503.3858,14.954038,1.279056715,1.326426523,0.989909768,1.341036428,1.029895342,1.122857087,1.231960114,-1.07872786,-1.26577045,-0.855589331,-1.130403054,-0.997350233,-1.030522951,-1.109807341
10274,C20 H40 O7 P2,Tetrahydrogeranylgeranyl diphosphate Esi+9.350988 :1,454.2185,9.350988,1.661453523,1.476321916,1.908295974,1.505688631,1.907235757,1.521410321,1.840229412,2.536124996,2.349406044,2.758877431,2.351870815,2.746034368,2.324692821,2.67244311
10275,C38 H76 N28,C38 H76 N28,924.6651,14.781005,1.755085915,1.753552192,1.447726576,1.684392562,1.577141525,1.611057428,1.672385608,-1.449873532,-1.530447063,-1.353750723,-1.357664606,-1.56726003,-1.38500557,-1.491696297
10276,C15 H33 N,n-Pentadecylamine Esi+11.227029,227.2608,11.227029,0.866930632,0.625001723,0.949662437,0.706115086,0.896623664,0.664352191,0.855529212,0.518139409,0.447529844,0.60237538,0.472407779,0.585617049,0.459879993,0.555701401
10277,C22 H45 N4 O22,C22 H45 N4 O22 Esi+6.298997,717.2516,6.298997,1.905936596,1.819374747,1.834870622,1.794498851,1.960630994,1.7797608,1.910656963,1.420798482,1.534621215,1.285009958,1.333073593,1.527712855,1.45387911,1.399470182
10278,C32 H48 O5,Ganoderic acid X Esi+8.411992 :1,534.3368,8.411992,0.366044441,0.568195661,0.036717631,0.316295047,0.224696394,0.576772375,0.19673305,0.142895197,0.277366087,-0.017526215,0.166098274,0.088896151,0.299133444,0.042162644
10279,C21 H22 Cl F N4 O2,Halopemide Esi+5.145009 :1,416.1432,5.145009,0.238981374,0.337697787,0.033159965,0.29535056,0.165822543,0.163439907,0.199678854,-0.212224062,-0.43288227,0.051017308,-0.214806423,-0.23068306,-0.281019895,-0.167868855
10280,C26 H40 O5,15(S)-Latanoprost,432.2831,14.129956,0.535807296,0.561500307,0.31975319,0.396307391,0.529005832,0.413480499,0.474547174,-0.230122509,-0.309033634,-0.135982922,-0.175957571,-0.323857481,-0.220785026,-0.236142729
10281,C30 H51 Cl N2,C30 H51 Cl N2,474.3702,15.701964,1.151016066,1.076120902,1.035380677,1.126782616,0.951123106,0.949081812,1.096589449,-0.421139903,-0.446974462,-0.390319727,-0.411628331,-0.432704465,-0.383263234,-0.445560387
10282,C33 H49 N5 O6,Zizyphine A Esi+12.295977,628.3915,12.295977,1.344523166,1.368399517,1.242175908,1.325323545,1.248716747,1.255634322,1.356939459,0.716356506,0.769189226,0.653327998,0.744231579,0.660053412,0.712739326,0.718688635
10283,C29 H58 N4 O S3,C29 H58 N4 O S3,574.3809,15.100032,0.546012545,0.656138087,0.258050048,0.75532643,0.219235298,0.599498868,0.398224274,-0.197937139,-0.287723007,-0.090824175,-0.265693256,-0.121846445,-0.207667735,-0.191663466
10284,C23 H28 O7,Erioflorin methacrylate Esi+11.728022 :1,438.1676,11.728022,1.969088521,1.709552633,2.305477126,1.976905587,2.045174456,2.029284202,1.978012871,1.673570764,1.471133894,1.915074399,1.596345187,1.776845052,1.672108473,1.674513557
10285,C29 H31 F2 N3 O,Fluspirilene Esi+14.082017,492.2703,14.082017,0.450158351,0.413979104,0.435262787,0.393773056,0.453642775,0.2975867,0.449037179,-0.217985177,-0.21833562,-0.217567105,-0.174943214,-0.279535257,-0.154856639,-0.258686471
10286,C22 H52 N15 O4 S2,C22 H52 N15 O4 S2,654.3828,13.166014,1.512738192,1.290725293,1.842452834,1.503496656,1.589643608,1.323311243,1.707932854,0.736277288,0.657070068,0.830770111,0.735543175,0.739762575,0.62394012,0.808705198
10287,C25 H51 N8 O3,C25 H51 N8 O3 Esi+13.84905 :1,511.4078,13.84905,1.026450516,1.032181767,1.013789502,1.089948051,1.054574012,0.892412459,1.163818091,0.728109315,0.702415075,0.758762094,0.730093986,0.704533611,0.600219701,0.810564461
10288,C16 H28 O5,Tetranor-PGF1alpha Esi+8.761986,300.1921,8.761986,0.497438153,0.322680802,0.740686945,0.283943936,0.773085823,0.416396991,0.598423974,0.448856882,0.311462022,0.61276654,0.326065541,0.610891219,0.395074956,0.483532071
10289,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+16.341019",565.4705,16.341019,0.35361975,0.452502063,0.108509165,0.385408425,0.22319196,0.370933762,0.197665529,-0.138755936,-0.319221915,0.076536809,-0.182522811,-0.066566475,-0.264969133,-0.057381639
10290,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3) Esi+14.959976",502.3967,14.959976,0.470701051,0.584004613,0.253077783,0.387963481,0.564778538,0.537388634,0.347518623,-0.313561078,-0.663835104,0.104309689,-0.263248907,-0.405172291,-0.572980645,-0.146303726
10291,C28 H38 O5,Macrocarpal C,471.304,7.338011,0.916432893,0.794082328,1.001968176,0.806035351,0.950588446,0.569832702,1.053665915,-0.578233786,-0.491401013,-0.681823762,-0.459341168,-0.762367149,-0.333643116,-0.735930403
10292,C32 H50 O5,Tsugaric acid C Esi+15.324967,514.3654,15.324967,1.26478503,1.373003145,1.12905128,1.343389492,1.218161521,1.267234511,1.215347658,-0.873841388,-0.997385601,-0.72645531,-0.78878518,-1.016961382,-0.769753279,-0.940950827
10293,C15 H41 N8 O9 P,C15 H41 N8 O9 P,508.2652,12.000981,0.78493224,0.827225665,0.779559351,1.120997135,0.615483257,0.781427742,0.900438296,0.687954817,0.65663785,0.725315409,0.8433166,0.465191626,0.666762244,0.701618449
10294,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.396977",350.3292,13.396977,1.008135709,1.226310388,0.725175965,0.960355065,1.056569135,1.218837789,0.88231106,-0.660847941,-0.762059399,-0.540104449,-0.63598054,-0.663928871,-0.762757525,-0.595143078
10295,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+13.009018",378.2018,13.009018,0.639820648,0.415023554,0.76528584,0.377641771,0.75251653,0.351952126,0.740867202,0.356590523,0.244582591,0.490214021,0.288284204,0.481407647,0.179085941,0.471034267
10296,C16 H37 N7 O3 P S2,C16 H37 N7 O3 P S2,470.2119,8.402985,0.461108541,0.380284666,0.475982905,0.474957737,0.365795875,0.497303754,0.355563213,0.558571569,0.488805894,0.641800796,0.676964686,0.436349574,0.671205301,0.485952452
10297,C54 H77 N9 O4 S,C54 H77 N9 O4 S,947.5846,14.107973,1.141710685,1.122120233,0.991833384,1.110870999,1.010123824,0.990465733,1.101142763,-1.07422094,-1.169587863,-0.960449873,-0.966751043,-1.246735914,-0.918853442,-1.17439209
10298,C27 H38 O5,"2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one",442.2694,14.271978,0.706354672,0.731264956,0.417965504,0.682208975,0.48415765,0.814411127,0.514162329,-0.394640763,-0.444117971,-0.335615323,-0.461675419,-0.301436777,-0.519655523,-0.314039142
10299,C14 H20 O4,C14 H20 O4,252.1295,8.458986,0.37671626,0.554374649,0.137837769,0.461273106,0.279974513,0.541666336,0.238004862,-0.342579893,-0.447978795,-0.216840851,-0.42659825,-0.226233675,-0.443932927,-0.277233858
10300,C18 H24 O8,"Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside Esi+9.035009",368.1448,9.035009,0.308015992,0.076835149,0.504050887,0.193556158,0.498196163,0.293624877,0.31044412,0.303539882,0.121615591,0.520572369,0.183765167,0.461348696,0.266022785,0.327728536
10301,C34 H52 O10,"(1alpha,3beta,20S,22R,24S,25S)-Pubescenin",620.3575,13.103022,0.61785975,0.509546032,0.631466059,0.561099099,0.555465132,0.643233027,0.55170354,0.506271519,0.459174067,0.562457954,0.537887484,0.459998028,0.575890108,0.46138585
10302,C33 H48 O8,"6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone Esi+7.1340065",589.3664,7.1340065,0.945240769,0.782841477,1.224385566,0.934910881,1.131607317,0.73404939,1.101808278,-0.727680352,-0.421499127,-1.092949182,-0.617607106,-0.900319719,-0.390588178,-0.945016096
10303,C18 H26 N7,C18 H26 N7,340.2077,10.604986,1.179329215,1.034475828,1.239730292,1.204298195,1.135544076,1.07057102,1.187775273,-1.178919411,-1.091117348,-1.283665733,-1.116910128,-1.295668747,-1.013111552,-1.285821847
10304,C27 H61 N14 P,C27 H61 N14 P Esi+15.218014,612.4923,15.218014,0.669240868,0.670546272,0.536139716,0.552159942,0.661690884,0.529408606,0.584238043,-0.334382257,-0.38773858,-0.270729101,-0.268633073,-0.43779545,-0.344058689,-0.328143506
10305,C37 H48 O6,Hydratopyrrhoxanthinol,610.3321,12.707015,0.016175166,0.023817749,0.230322261,0.119704596,0.041195868,0.106973943,0.0931459,0.124970486,0.064471144,0.19714514,0.207425573,0.011977153,0.187855528,0.084426183
10306,C37 H50 O8,3-O-Protocatechuoylceanothic acid Esi+8.125,622.353,8.125,0.335715412,0.113097045,0.597231326,0.198764939,0.467930817,0.307821154,0.300447389,-0.587791856,-0.244393286,-0.997460325,-0.420155772,-0.807879915,-0.368040117,-0.729473898
10307,C36 H11 N6 O6,C36 H11 N6 O6,622.091,12.384017,0.297591753,0.41219737,0.195648949,0.404481235,0.194355864,0.295877473,0.382093686,0.187999022,0.2325268,0.134878163,0.218434797,0.123446693,0.175169037,0.196270985
10308,C14 H28 N6 O4,Val Ala Arg Esi+8.81898,344.2177,8.81898,0.190956333,0.295896924,0.077547261,0.2220993,0.058344909,0.25624536,0.057849246,-0.077731041,-0.146905361,0.004792708,-0.091824989,-0.086709297,-0.13986,-0.037674213
10309,C9 H15 N5 O2,3'-Hydroxyminoxidil Esi+7.5229874,242.1342,7.5229874,0.320313485,0.44493417,0.168053405,0.402964658,0.175215448,0.27904694,0.376596338,0.112346672,0.183662483,0.02726816,0.151198142,0.036189363,0.083456558,0.130973192
10310,C22 H40 N8 O5,Postin Esi+12.756026,496.3118,12.756026,1.729005328,1.779215734,1.712602901,1.761005221,1.789175812,1.806606927,1.752028934,1.696252196,1.747304284,1.635347951,1.632604926,1.750391914,1.689045765,1.700898448
10311,C41 H70 O12,Chikusetsusaponin Ia Esi+13.985035,771.5206,13.985035,0.747882055,0.989928018,0.503808341,0.656963637,0.805571683,0.871684521,0.63826962,0.79861485,0.891379868,0.68794781,0.804624692,0.782629446,1.026137918,0.651922345
10312,C23 H38 O9,[6]-Gingerdiol 5-O-beta-D-glucopyranoside Esi+8.741974,480.2342,8.741974,0.281076651,0.310883508,0.18475522,0.202091796,0.354417566,0.433824509,0.208552464,0.334349519,0.373358213,0.287812832,0.272911014,0.378094027,0.485103957,0.237152579
10313,C29 H44 O4,"(22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 / (22S)-1?,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydrocholecalciferol",456.3186,13.993974,0.786661499,0.473560318,1.176343523,0.728203413,0.824841604,0.839894787,0.767628768,0.549389631,0.39791676,0.730094108,0.53461424,0.585781583,0.557786382,0.543975936
10314,C50 H97 O13 P,PI(22:0/19:0) Esi+13.976017,958.6571,13.976017,0.924018377,0.928118607,0.773044487,0.959341356,0.627229874,0.712907189,0.938206034,-0.405625044,-0.460589385,-0.34005355,-0.392155676,-0.444562949,-0.30803837,-0.468542769
10315,C17 H14 N8 O18 P S,C17 H14 N8 O18 P S Esi+14.243963,680.9902,14.243963,0.807595343,0.920571455,0.48436884,0.893799435,0.500254664,0.809395154,0.707544417,-0.379747167,-0.465055379,-0.277975966,-0.434605522,-0.307226382,-0.360020453,-0.392465706
10316,C18 H31 N O2 S,Farnesylcysteine,325.2097,5.275013,0.643634207,0.558963461,0.772751796,0.511801218,0.811648305,0.582243592,0.684128979,0.520143184,0.454995676,0.597863019,0.531863959,0.551881272,0.538558345,0.508270252
10317,C49 H89 O13 P,"PI(22:2(13Z,16Z)/18:1(9Z))",938.5773,14.893011,0.268068808,0.234268113,0.222784179,0.301126684,0.220380457,0.454846386,0.136896388,0.227342353,0.235734074,0.217331177,0.285887708,0.160890542,0.384005329,0.126335961
10318,C14 H21 N O2,Stovaine Esi+8.25,235.1544,8.25,0.736322226,1.052372215,0.328828068,0.813428733,0.564521169,1.146695219,0.564342908,-0.710646269,-1.026649893,-0.33365949,-0.906227001,-0.391732213,-0.914879266,-0.578969732
10319,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.285,314.216,9.285,2.243792869,2.14641932,2.404012998,2.197267382,2.417628784,2.123205229,2.382634641,3.086303774,2.761152511,3.474203526,2.834705592,3.409470821,2.837761565,3.246548093
10320,<none>,<none> Esi+11.080002,624.8577,11.080002,1.474115322,1.300320887,1.709131519,1.508573291,1.571798938,1.428846346,1.555251508,0.656649916,0.583178384,0.744300165,0.675954732,0.631991939,0.640677899,0.666947664
10321,C40 H54 O5,Uriolide,613.3893,12.904034,1.909115869,1.882816444,1.889776988,1.940892042,1.88924635,1.950331688,1.866247596,1.928481028,1.95972631,1.891205954,1.892626715,1.958424237,1.88825118,1.954418693
10322,C27 H34 F6 O2,"26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 / 26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrocholecalciferol",504.2455,14.834981,1.611153703,1.617732356,1.316494951,1.496762242,1.452161579,1.465423838,1.523751302,-1.046010713,-1.100291015,-0.981255266,-0.976277735,-1.151017673,-1.089195148,-1.018168117
10323,C37 H67 O13 P,PI(14:1(9Z)/14:1(9Z)) Esi+13.754957,750.4251,13.754957,0.357957948,0.548361115,0.054085705,0.353297759,0.344453422,0.126344762,0.464730644,-0.287018795,-0.443238926,-0.100650919,-0.248358893,-0.365792038,-0.140048902,-0.381775699
10324,C16 H26 N7,C16 H26 N7 Esi+12.114992,316.2246,12.114992,2.598487197,2.491282854,2.684757446,2.670446368,2.607281812,2.549614218,2.643965036,5.03428458,4.932346686,5.1558947,4.931658567,5.140613532,4.980495008,5.068964699
10325,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+6.1359887",273.1579,6.1359887,0.130578805,0.039625946,0.124588398,0.014221115,0.167113256,0.099228835,0.116931077,-0.050913285,0.007257597,-0.120310127,0.012111331,-0.14030997,0.081922989,-0.136557725
10326,C44 H83 O12 P,PI(P-20:0/15:1(9Z)) Esi+9.170009 :1,856.5364,9.170009,0.459160171,0.599250706,0.265116143,0.426261573,0.381597262,0.769372526,0.259884985,0.223999119,0.331727901,0.095480572,0.286010911,0.114070494,0.430270799,0.091008168
10327,C22 H38 N6 O4,Chaksine Esi+14.589041,450.2957,14.589041,0.305828274,0.28987882,0.259085555,0.204234111,0.352487932,0.104933654,0.359834132,-0.195347148,-0.21929491,-0.166777888,-0.154835351,-0.26550892,-0.152317229,-0.223090122
10328,C29 H61 N27,C29 H61 N27,787.5481,13.471981,0.162439941,0.170247079,0.0825182,0.157773347,0.193042942,0.002856025,0.197882852,-0.029053661,-0.029279001,-0.028784835,0.006217659,-0.100077873,0.040391079,-0.073827243
10329,C23 H38,"3Z,6Z,9Z,12Z,15Z-Tricosapentaene Esi+12.75",331.3232,12.75,0.195303793,0.267520912,0.507344064,0.227405833,0.115362476,0.395673471,0.503020548,0.034628732,-0.213353963,0.330467737,0.065536243,-0.000451901,-0.358867048,0.288329959
10330,C11 H18 O4,"2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid Esi+6.390993",214.122,6.390993,0.345132764,0.298947219,0.398777602,0.185319972,0.466181627,0.299182786,0.380346428,0.193654645,0.165086926,0.227735432,0.062501982,0.341227638,0.076049406,0.269479075
10331,C12 H17 N3 O4,Agaritine Esi+10.027004,266.1147,10.027004,0.492526664,0.08954309,1.094701923,0.124031046,1.075625433,0.097598731,0.897130159,0.329635487,0.061293289,0.64976302,0.138517519,0.635888613,0.052676142,0.508201379
10332,C37 H54 O3,Campesteryl p-coumarate,545.3918,13.632021,0.561499205,0.606894728,0.428713107,0.63184525,0.443522806,0.405776824,0.610142054,-0.228962619,-0.279335448,-0.168868718,-0.236435907,-0.238376465,-0.133790891,-0.290323339
10333,C30 H50 O5,Cycloastragenol Esi+15.221973 :1,490.3628,15.221973,0.972953289,1.072312678,0.742344682,0.93929185,0.925182295,0.898052913,0.927571186,-0.632647958,-0.726798623,-0.520327867,-0.501384455,-0.836606309,-0.440640159,-0.756442461
10334,C30 H49 N21 O P,C30 H49 N21 O P,750.417,13.577958,1.070113646,0.878314473,1.3102267,0.923427359,1.274171748,0.974831928,1.198880793,1.020024448,0.927482602,1.130425247,0.924251877,1.147003809,0.929977798,1.07808084
10335,C16 H28 N6 O4,Pro Arg Pro Esi+8.702018,368.2159,8.702018,0.040459185,0.387310876,0.333330876,0.278163271,0.170186725,0.53110684,0.155074896,0.120894289,0.443553944,-0.264033018,0.313570348,-0.173159062,0.467303761,-0.102448659
10336,C30 H67 N4 O12 S2,C30 H67 N4 O12 S2,736.4025,13.300031,1.132235902,0.970155037,1.336044544,1.223155938,1.058936172,1.204563153,1.104544418,0.962505418,0.792510507,1.165306365,1.049097524,0.813160032,0.941122454,0.976291803
10337,C30 H48 O6,"(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid",504.3431,14.054988,0.620855237,0.308472167,0.975101595,0.619179104,0.573974584,0.63421185,0.622672735,0.509294559,0.30797412,0.749466312,0.508589645,0.508932991,0.522942701,0.5004951
10338,C32 H64 Cl N5 P S3,C32 H64 Cl N5 P S3,678.3683,13.0259695,0.104504647,0.115616438,0.051017992,0.197260179,0.091910663,0.245635164,0.048254059,0.156609536,0.105344273,0.217768096,0.289980378,-0.04782806,0.255234576,0.093022339
10339,C16 H Cl N O15 P S4,C16 H Cl N O15 P S4 Esi+12.0160265,640.7685,12.0160265,0.493498677,0.461423592,0.363242554,0.42496897,0.353950735,0.298517881,0.435370863,-0.244305025,-0.245319708,-0.243094525,-0.168962787,-0.366303036,-0.104816746,-0.334238257
10340,C17 H47 N16 P S,C17 H47 N16 P S Esi+12.643007 :1,538.3628,12.643007,1.393264617,1.631335429,1.265620553,1.643298854,1.384329178,1.659528163,1.299416124,0.887810716,0.981871003,0.775598443,0.983545154,0.739441082,1.005506768,0.811927734
10341,C11 H16 O4,C11 H16 O4 Esi+5.3140016,212.1046,5.3140016,0.359559535,0.430420974,0.273180665,0.461992125,0.379252974,0.265402477,0.429564121,-0.370079746,-0.468228075,-0.252990513,-0.364051162,-0.396235116,-0.283282772,-0.426040953
10342,C38 H62 O13,Torvoside D Esi+10.990984,748.4035,10.990984,1.274326936,0.984564194,1.6105182,1.326504524,1.250698497,1.170342469,1.34805268,0.548665576,0.442523793,0.675290861,0.591842077,0.490135027,0.52821303,0.561852086
10343,C23 H47 N8 O,C23 H47 N8 O Esi+14.762956,451.3862,14.762956,0.950736431,0.72407798,1.158666885,0.720700783,1.259446605,0.466007463,1.296504223,0.568477753,0.432473171,0.730728833,0.432258066,0.75107711,0.320478493,0.728372012
10344,C22 H30 N4 O4,Trp Pro Leu Esi+10.129002,414.2255,10.129002,0.248107007,0.295870125,0.112770352,0.349666999,0.15748158,0.038684248,0.389095012,-0.147146894,-0.264839742,-0.006741392,-0.118505198,-0.210550655,0.092195587,-0.30145981
10345,C14 H24 O2,13-Tetradecynoic acid Esi+15.038019,224.1773,15.038019,0.276046683,0.25855023,0.288108395,0.325543862,0.194358896,0.353172731,0.248607651,-0.136953242,-0.158160731,-0.111653079,-0.15934063,-0.108698488,-0.036924047,-0.201445749
10346,C26 H48 O4,C26 H48 O4,424.357,14.719976,1.231094993,1.403666196,0.895891945,1.224246086,1.104692243,1.124320153,1.191135993,-0.734514626,-0.893212548,-0.545190788,-0.720998622,-0.767207356,-0.7058274,-0.753010337
10347,C24 H48 N O9 P,PS(18:0/0:0) Esi+14.178972,547.2874,14.178972,1.663016267,1.577353595,1.499221497,1.66957393,1.508486,1.361789358,1.668688938,-1.347255236,-1.333059072,-1.36419101,-1.280982439,-1.44782501,-1.310318111,-1.371069961
10348,C29 H39 Cl3 N10 O12 P S3,C29 H39 Cl3 N10 O12 P S3,950.0698,8.186008,0.018364205,0.089730424,0.318030776,0.066144812,0.075552998,0.200394899,0.192960769,0.119706996,0.156830521,0.075419281,0.114850061,0.126000702,0.208401979,0.062522072
10349,C18 H19 N6,CAY10498 Esi+10.052001,336.19,10.052001,0.15892917,0.020181351,0.28354049,0.054351953,0.209644529,0.069069255,0.264511691,0.321626966,0.080684344,0.609067287,0.250105521,0.438118873,0.092467782,0.469374335
10350,C19 H36 O5,"1,2-Dioctanoyl-sn-glycerol Esi+11.711004",366.238,11.711004,0.501070332,0.390484372,0.544899174,0.34593012,0.48977525,0.457079347,0.423688518,-0.160793508,-0.148003206,-0.176052114,-0.13120321,-0.196433189,-0.196511041,-0.137765098
10351,C28 H N O10 P,C28 H N O10 P,541.9348,5.0300117,0.949936643,0.999398225,0.835978817,0.860902582,1.142864615,0.737926379,1.100968364,-0.68754154,-0.730610495,-0.636161033,-0.577272982,-0.820877921,-0.474354629,-0.824990996
10352,C41 H72 N O10 P,"PS(13:0/22:4(7Z,10Z,13Z,16Z)) Esi+9.11 :2",768.4839,9.11,0.51779214,0.687469749,0.276039367,0.495225832,0.390089984,0.770252046,0.352794743,0.23669751,0.348078483,0.103821962,0.283160701,0.148622172,0.402521248,0.129784836
10353,C14 H39 Cl N10 O S2,C14 H39 Cl N10 O S2,462.2438,6.766996,0.148025446,0.020632973,0.380543841,0.179719743,0.209097823,0.098786873,0.340300226,-0.082991853,-0.007310261,-0.173278665,-0.095041271,-0.088682464,0.063209663,-0.177253357
10354,C10 H12,"p-Mentha-1,3,5,8-tetraene Esi+4.849988",132.0922,4.849988,1.993938619,2.116547151,2.043088311,2.004576862,2.285176692,2.164452152,2.067718862,-0.865316835,-0.876149559,-0.852393585,-0.810685838,-0.944934759,-0.848259326,-0.876314439
10355,C36 H54 O6,OH-Diaponeurosporene glucoside ester Esi+11.170985,599.4236,11.170985,0.476141337,0.455051351,0.397552437,0.380524536,0.470637501,0.11417366,0.580187392,-0.302609985,-0.279816705,-0.329801967,-0.187955203,-0.492693896,-0.042225186,-0.470489658
10356,C24 H40 N6 O8,C24 H40 N6 O8 Esi+10.150015,540.2908,10.150015,2.332504875,2.23647169,2.487199863,2.345178054,2.428534851,2.276842416,2.409150652,3.982155312,3.754427911,4.253830106,3.850509536,4.113524754,3.917950358,4.023550612
10357,C51 H91 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/20:0) Esi+13.003983",959.6481,13.003983,0.50666683,0.547570268,0.306614708,0.562778941,0.210764009,0.378307304,0.479581844,-0.178759755,-0.239870966,-0.105855152,-0.194304548,-0.179274004,-0.13998731,-0.203757778
10358,C31 H45 N3 O4 S,Pateamine Esi+11.526991,554.3083,11.526991,2.505810255,2.349199715,2.708977366,2.464768624,2.650754983,2.33004597,2.637899943,4.453325888,4.079372953,4.89944518,4.204091761,4.785513997,4.173040702,4.634036074
10359,C48 H79 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",846.5277,13.821027,0.997012718,0.765838038,1.198378942,1.010912713,1.002706932,0.708154881,1.169430136,0.775770503,0.597249943,0.9887424,0.715101953,0.854461513,0.563281611,0.912769921
10360,C39 H66 O5,"DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0) Esi+14.0990505",613.4742,14.0990505,0.15429986,0.447603569,0.251768145,0.139349912,0.09316688,0.174533092,0.106004144,-0.197931064,-0.390877476,0.032250621,-0.214483528,-0.15747309,-0.259171986,-0.158446786
10361,C21 H34 N6 O5,Leu Arg Tyr Esi+11.767983,450.2596,11.767983,1.890162284,1.808371994,1.963312969,1.978064345,1.821051426,2.000785905,1.831611072,1.994363196,1.885654975,2.124050197,2.041266494,1.92440694,2.059373229,1.952448833
10362,C40 H75 O12 P,PI(P-16:0/15:1(9Z)) Esi+13.381005,777.4883,13.381005,1.594830137,1.439583425,1.732016654,1.60398612,1.616687611,1.599727572,1.623031414,2.680797672,2.320750676,3.110327422,2.524778505,2.864799047,2.442705564,2.834304426
10363,C19 H31 N O2,Samandarine,322.2616,10.240986,0.046344084,0.228410403,0.559797864,0.024142628,0.163829392,0.151416724,0.076201901,0.034460924,-0.057446797,0.144105223,0.042509211,0.039313732,0.058844698,0.018739806
10364,C37 H60 O12,Glucosyl passiflorate Esi+13.627988,696.4062,13.627988,0.110983839,0.142500952,0.381781271,0.050456649,0.246120899,0.127715704,0.104532123,0.156942683,-0.02689769,0.376261022,0.156202298,0.18903836,0.163411139,0.152772231
10365,C43 H68 Cl N O11,Pimecrolimus Esi+8.188993,831.4359,8.188993,0.373948755,0.215757748,0.708084791,0.390221203,0.497262019,0.21689585,0.48886225,-0.13492354,-0.06624059,-0.216861094,-0.133749682,-0.132732576,-0.073427109,-0.174572555
10366,C36 O8 P S2,C36 O8 P S2,654.8768,12.832016,0.451332537,0.121982881,1.08762109,0.531683461,0.554042446,0.087924827,0.741999812,0.324518567,0.092408463,0.601421849,0.345132351,0.338614175,0.077059626,0.484064463
10367,C26 H55 N21 O2 P,C26 H55 N21 O2 P,724.458,9.095974,0.417781113,0.617103239,0.128276068,0.340039171,0.362550003,0.592888412,0.294884629,0.191611033,0.314200014,0.045364529,0.215484625,0.137562053,0.3288952,0.103098873
10368,C25 H24 N4 O2,Bisindolylmaleimide I,434.1708,12.760988,0.716974521,0.743563541,0.569992742,0.486159257,0.888960773,0.824836862,0.563631559,-0.235104917,-0.263692672,-0.201000226,-0.19454407,-0.283783033,-0.324925675,-0.177194165
10369,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+10.058009 :1,314.2084,10.058009,0.726924912,0.501130735,0.843293913,0.526015614,0.778507234,0.560737535,0.726870396,0.711914626,0.556803184,0.896959856,0.608308017,0.860686961,0.645619403,0.754657599
10370,C41 H56 O7,Neurosporaxanthin ?-D-glucopyranoside Esi+13.970965,659.3906,13.970965,0.088980579,0.358562573,0.315309978,0.162013077,0.016668103,0.101335529,0.023982233,0.021889623,-0.221591954,0.312358873,-0.011963698,0.074280542,-0.021319754,0.0497483
10371,C24 H32 N4 O4,Phe Phe Lys Esi+8.724,440.237,8.724,1.405800519,1.330001407,1.306742624,1.167065466,1.526367986,1.272437665,1.402965005,1.681613781,1.688566231,1.673319631,1.489923084,1.923503465,1.670067895,1.689057839
10372,C31 H59 N18 O2,C31 H59 N18 O2,714.4741,12.46403,0.327454828,0.187918322,0.435236335,0.322046995,0.326694397,0.174622613,0.384033947,-0.149974686,-0.058092001,-0.259589117,-0.09853481,-0.24000887,-0.05541483,-0.210940909
10373,C30 H40 N4,Dequalinium Esi+9.754984,455.3121,9.754984,0.25256846,0.323997355,0.132084486,0.432574791,0.071318364,0.146133944,0.247734252,-0.141684399,-0.16511069,-0.113737245,-0.189972819,-0.097446934,-0.078049957,-0.182711868
10374,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.337966",350.3292,13.337966,0.782532277,0.900347843,0.600461826,0.828812602,0.633239308,1.231930637,0.469389435,-0.419957137,-0.463733544,-0.367732651,-0.432456178,-0.375090559,-0.652864197,-0.269793375
10375,C35 H7 N5 O12 P,C35 H7 N5 O12 P Esi+13.699969 :1,719.983,13.699969,1.219582052,1.337896713,1.14970209,1.140896111,1.411271622,1.06744219,1.423701192,0.886581963,0.983370431,0.771115018,0.865232293,0.910768176,0.804680288,0.93938699
10376,C23 H28 O5,"(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide Esi+12.832017",406.176,12.832017,1.919079021,1.762681358,2.010785646,1.890081097,2.010386244,1.741994341,2.040901811,-1.16380853,-1.086618035,-1.255895437,-1.097862827,-1.238029328,-1.075961556,-1.220446711
10377,C30 H52 N3 O5,C30 H52 N3 O5 Esi+15.087957 :1,534.3893,15.087957,1.112957986,1.285726407,0.721930765,1.227050352,0.918257437,1.032873639,1.025045869,-0.62939471,-0.819480658,-0.402625507,-0.63598304,-0.643777317,-0.563634305,-0.671792865
10378,C28 H46 N2 O S2,C28 H46 N2 O S2,490.3022,14.662042,0.839008591,0.650622964,1.105980861,0.909532146,0.801422645,0.856569425,0.818133551,0.441065148,0.367664929,0.528630321,0.410535706,0.49243266,0.455400655,0.431822518
10379,C25 H51 N O4,C25 H51 N O4,429.3817,13.131031,0.314936279,0.397883915,0.137042438,0.394891074,0.12791722,0.308071047,0.26661339,0.458429161,0.792638844,0.059722873,0.642019664,0.144286417,0.630456053,0.347517086
10380,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.344975,525.5119,14.344975,1.047399586,1.269683596,0.847928503,1.215605907,0.942596616,1.314717898,0.894778074,-0.823946792,-0.892528705,-0.742129774,-0.835967041,-0.820163594,-0.950775168,-0.742175866
10381,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+9.297994,440.146,9.297994,1.322363863,1.248113154,1.26697924,1.405562325,1.074313153,1.159324742,1.383316858,-0.774229706,-0.916109111,-0.604970064,-0.937667073,-0.569206868,-0.840175965,-0.731711723
10382,C33 H53 N O6,gamma-Chaconine Esi+8.844977 :3,559.3866,8.844977,0.459365861,0.366444669,0.693766241,0.588954005,0.299133692,0.274978376,0.499640324,-0.348693677,-0.248665239,-0.46802585,-0.371607093,-0.346897651,-0.167550419,-0.465483409
10383,C23 H40 O4 S2,C23 H40 O4 S2,444.2432,8.637974,0.156585546,0.598145908,0.315189062,0.131658776,0.153136368,0.467457045,0.024356877,0.203456687,0.594071046,-0.262539391,0.2103501,0.158589813,0.469352383,0.032023935
10384,C15 H36 N18 O5 P,C15 H36 N18 O5 P,579.2886,12.590017,0.789212355,0.835323422,0.470324543,0.834176737,0.56375337,0.666783719,0.688280636,-0.546156026,-0.758433462,-0.292912769,-0.550961163,-0.54010209,-0.574324888,-0.527994523
10385,C17 H3 Cl N O15 P S4,C17 H3 Cl N O15 P S4,654.7847,13.597971,0.537111516,0.483864314,0.205735802,0.379290966,0.279341002,0.350330897,0.455534564,-0.206785082,-0.27252988,-0.128352691,-0.181177639,-0.26311908,-0.178775861,-0.224843658
10386,C31 H56 N5 O12 S,C31 H56 N5 O12 S Esi+14.596982,722.3655,14.596982,1.397905587,1.383613914,1.395785315,1.486793594,1.321572077,1.560299573,1.279799238,0.739334997,0.712847557,0.770934047,0.766108605,0.70129183,0.804214543,0.697504763
10387,C42 H70 O15,Goyaglycoside h Esi+10.982985 :1,836.4527,10.982985,1.386687689,1.156425434,1.669201421,1.353186203,1.459094762,1.283996385,1.468463945,0.666155486,0.568412344,0.782761341,0.693098249,0.627215938,0.643151404,0.680987066
10388,C51 H88 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) Esi+9.133029",895.6067,9.133029,0.40078876,0.358605164,0.484260537,0.560421474,0.178703189,0.419130969,0.355332346,-0.337001713,-0.275551557,-0.410310672,-0.404976166,-0.267919095,-0.271555491,-0.379197304
10389,C15 H23 N5 O3,Phenylalanyl-Arginine,338.2067,11.28799,1.787091983,1.673826368,1.981789529,1.613765412,2.108781281,1.605277165,2.011967471,1.384822313,1.249338735,1.546451844,1.211353234,1.615279915,1.258267838,1.466416646
10390,C39 H47 N5 O5,Jubanine C Esi+15.952945,665.3605,15.952945,1.793370352,1.647909846,2.012790882,1.833714683,1.857645558,1.853304896,1.799734937,0.780867285,0.70744495,0.868458842,0.761533643,0.799257525,0.744469795,0.804334087
10391,C19 H28 N4 O3,LY255283 Esi+10.677001 :1,360.2134,10.677001,1.839789491,1.642094465,2.161915556,1.609875843,2.167468834,1.57996427,2.054640136,1.929221752,1.600069807,2.321894248,1.719300555,2.222024077,1.698842646,2.077755649
10392,C19 H40 O4,C19 H40 O4 Esi+14.341012 :1,332.2923,14.341012,1.076376351,0.858176805,1.377164415,1.314585066,0.915770944,1.135646788,1.058403674,0.58978977,0.448550644,0.75828557,0.620827474,0.515371387,0.581723108,0.594990645
10393,C17 H31 N O4,C17 H31 N O4 Esi+8.234007,313.2251,8.234007,0.308541452,0.22932573,0.393578118,0.277799888,0.30297634,0.214060695,0.323146009,-0.378945431,-0.269553047,-0.509448626,-0.322437697,-0.486733758,-0.309443587,-0.42375583
10394,C19 H26 N13 O2,C19 H26 N13 O2 Esi+10.14698,468.2338,10.14698,1.149846229,1.101009444,1.178791371,1.037399092,1.19350662,1.116704705,1.109499108,2.30187794,2.299213429,2.305056654,2.213344075,2.383394403,2.306138568,2.299130955
10395,C21 H36 N2 O,C21 H36 N2 O,332.2826,12.478023,1.64656163,1.769979129,1.725384987,1.664181177,1.871872141,1.990016361,1.642345868,-0.683269942,-0.792205892,-0.553311264,-0.674635296,-0.675860765,-0.77448561,-0.62445984
10396,C36 H80 N17 O9 P,C36 H80 N17 O9 P,925.6097,13.410962,0.75981947,0.684346502,0.858417251,0.702888256,0.747143234,0.807885313,0.756111463,0.444560907,0.42769833,0.464677667,0.455483197,0.411538136,0.507963728,0.403682773
10397,C27 H46 O4,"3?,7?-Dihydroxy-5?-cholestanate",434.3366,13.993977,0.793649767,0.516050028,1.073534654,0.744670131,0.845373056,0.819856495,0.859852504,0.582287742,0.454134125,0.735172758,0.553821474,0.63764489,0.579028928,0.584388819
10398,C24 H40 N6 O8,C24 H40 N6 O8 Esi+9.896979,540.2905,9.896979,1.924820048,1.772887347,2.175895609,1.845098945,2.088585861,1.82426048,2.060124307,2.074663483,1.811649609,2.38843442,1.943631933,2.273562908,1.905781884,2.183547671
10399,C19 H29 N8 O3,C19 H29 N8 O3,417.2262,11.735018,0.800817798,0.319233942,1.42301638,0.748954405,0.920532803,0.829249537,0.81982051,0.734302847,0.30900707,1.241673248,0.710336943,0.775624257,0.676301622,0.771698374
10400,<none>,<none> Esi+10.957014,580.833,10.957014,1.353438004,1.123569902,1.674711162,1.285492196,1.553306016,1.214024162,1.522375624,0.667188917,0.561120159,0.793727084,0.665614209,0.669914159,0.616236365,0.700039904
10401,C19 H O11 P S3,C19 H O11 P S3 Esi+9.60899 :1,531.8415,9.60899,0.551573564,0.696205838,0.310828526,0.474680309,0.554940213,0.680420702,0.478493402,0.241402732,0.35278151,0.108529804,0.235875377,0.226845054,0.34168048,0.176749973
10402,C10 H20 O7,"2,3-Butanediol glucoside Esi+0.88400173",274.1026,0.88400173,0.307271786,0.594845089,0.199238077,0.284795468,0.220201456,0.248559089,0.251999187,-0.129324532,-0.316528071,0.094006004,-0.149805697,-0.101938534,-0.141054162,-0.121762008
10403,C12 H22 N O4,2-Ethylacrylylcarnitine Esi+4.1790047,226.0813,4.1790047,1.22260029,1.122063012,1.171339206,1.086197796,1.290120286,1.289935161,1.116417748,1.228907112,1.186274831,1.279766675,1.155025204,1.314705808,1.37395432,1.135389833
10404,C59 H88 N3 O3 P S,C59 H88 N3 O3 P S,949.627,15.875,2.392701568,2.410187871,2.375312201,2.412656675,2.478139219,2.434645794,2.390053028,-1.832371755,-1.895251942,-1.757356795,-1.819147451,-1.86696555,-1.808924013,-1.847489379
10405,C16 H29 N5 O6,Gln Ile Gln Esi+4.791993,387.213,4.791993,0.529877554,0.595805913,0.304601788,0.730789954,0.128240991,0.73110547,0.305041319,0.414869867,0.579731274,0.2181931,0.655274047,0.075510894,0.702629575,0.229340581
10406,C14 H18 N7 O,C14 H18 N7 O Esi+8.947016,300.1575,8.947016,0.774790866,0.78927269,0.529216302,0.579058143,0.754904898,0.575720311,0.776950145,-0.859958889,-0.954190228,-0.747542555,-0.667900089,-1.095580143,-0.778846202,-0.912255227
10407,C16 H2 O16 P S5,C16 H2 O16 P S5 Esi+12.68303,640.7696,12.68303,0.120847584,0.148912863,0.097267533,0.024946842,0.031774345,0.08596311,0.023462211,0.030892086,-0.007483365,0.076673325,0.064428464,-0.033406342,0.031727874,0.030353223
10408,C32 H55 N18 P,C32 H55 N18 P,722.4603,15.377985,0.639304088,0.454382505,0.858316648,0.598074522,0.633459474,0.332988969,0.861176238,0.589058434,0.44444069,0.761584867,0.511961732,0.675889405,0.327062171,0.757977078
10409,C13 H28 N4 O4,Istamycin AP Esi+7.3189797,303.2046,7.3189797,0.499223598,0.451601411,0.406044391,0.367782028,0.514347992,0.623001349,0.349267768,0.270603801,0.288026119,0.249819283,0.273986545,0.25537037,0.396784174,0.189250666
10410,C28 H45 O9 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",555.2735,11.336018,2.204726506,2.172274086,1.877790852,2.197362848,1.976655683,2.054300275,2.072768487,-2.772554948,-2.921584467,-2.594765346,-2.768234736,-2.76999375,-2.785638617,-2.764119424
10411,C27 H44 N2 O3,N-Nitrosotomatidine Esi+14.333986,443.3236,14.333986,1.483003085,1.425322568,1.590597155,1.529196647,1.489772124,1.344009552,1.554887778,0.835135294,0.798363338,0.879003592,0.837387034,0.829855445,0.720506887,0.909040451
10412,C27 H49 N3 O7 S,C27 H49 N3 O7 S Esi+10.139003,559.3275,10.139003,1.33441705,1.153455924,1.321405925,1.280896219,1.216798566,0.992474281,1.39243719,-1.553157926,-1.505025524,-1.610579037,-1.555336002,-1.552631767,-1.392306219,-1.656864947
10413,<none>,<none> Esi+13.646978,952.538,13.646978,0.697697143,0.586033769,0.760700628,0.605118203,0.703950514,0.688192396,0.715277224,0.434920446,0.383182428,0.496642994,0.425730403,0.434687455,0.442232792,0.430205907
10414,C13 H4 Cl2 N6 O12 P S4,C13 H4 Cl2 N6 O12 P S4,664.7884,13.246021,0.56267602,0.521418859,0.464077444,0.561045715,0.371425677,0.494022685,0.521194654,-0.178095892,-0.217495389,-0.131092985,-0.192410096,-0.172950994,-0.196667922,-0.166121821
10415,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.680965",522.4281,16.680965,0.730248199,0.774232216,0.547247485,0.672511895,0.671875398,0.446740691,0.821663953,-0.382404428,-0.474489328,-0.272548759,-0.333943362,-0.446059974,-0.20729561,-0.495303535
10416,<none>,<none> Esi+13.480973,606.7561,13.480973,0.448702879,0.375776217,0.639757437,0.452939306,0.530616678,0.559731402,0.455503859,0.249570441,0.230655074,0.272136143,0.244864668,0.237032714,0.282672359,0.228228416
10417,C24 H27 N13 O19 P S,C24 H27 N13 O19 P S Esi+13.947999,864.1011,13.947999,0.518049634,0.584241284,0.240106483,0.600391299,0.195778022,0.36063086,0.452026349,-0.173699284,-0.242200291,-0.091978785,-0.184478158,-0.177848716,-0.116318894,-0.210694536
10418,C29 H55 N14 O4 P,C29 H55 N14 O4 P,692.4496,14.561021,0.403596886,0.200992037,0.64032676,0.401576259,0.363269161,0.45683964,0.352305832,0.327665585,0.220614335,0.455375849,0.399782079,0.235233342,0.394788352,0.284389065
10419,C19 H32 O8,Dihydroroseoside Esi+9.237033,388.21,9.237033,0.210733721,0.377791517,0.019930346,0.196410178,0.219350505,0.04385246,0.358401076,-0.193283233,-0.382583928,0.032549175,-0.246957745,-0.153115815,-0.069584629,-0.27303628
10420,C34 H52 N11 O2 P,C34 H52 N11 O2 P,677.4017,12.18701,1.392052236,1.376685567,1.478664844,1.402991581,1.36102724,1.326948909,1.440247949,1.355955807,1.329520369,1.387492821,1.390266967,1.318042788,1.31548458,1.382049098
10421,C32 H41 N18 P,C32 H41 N18 P,708.3493,14.300029,1.662695108,1.611574022,1.705323068,1.693409447,1.620885066,1.780869292,1.633280624,1.094827627,1.045951936,1.153135469,1.090878632,1.097944691,1.067023064,1.112754253
10422,C19 H36 N7 O,C19 H36 N7 O Esi+8.306022,378.2981,8.306022,0.898858591,0.735072018,1.037895337,0.688336106,1.042612956,0.315188258,1.193562369,0.400991155,0.339185562,0.474724143,0.327552237,0.49721057,0.190584234,0.536648249
10423,C12 H26 N5 O S,C12 H26 N5 O S,286.1782,8.489011,1.939579713,1.793662153,2.074526209,1.956548852,1.953545403,1.863506944,1.984710984,2.007672214,1.86189653,2.181580047,1.916612234,2.123527487,1.960801599,2.037891426
10424,C46 H85 O13 P,"PI(15:0/22:2(13Z,16Z))",875.5632,14.607989,1.40131908,1.510850853,1.083453749,1.321581197,1.351257972,1.330375411,1.35980588,-0.825718512,-0.94565913,-0.682631459,-0.752055784,-0.912258203,-0.780959694,-0.854576171
10425,C20 H30 N4 O7,Glu Tyr Lys,437.204,6.1459966,0.465905597,0.549503684,0.270798935,0.412924445,0.296194548,0.867739305,0.36432584,-0.214846535,-0.293021279,-0.121585438,-0.31736609,-0.075216001,-0.386024551,-0.104481762
10426,C21 H44 N O7 P,LysoPE(0:0/16:0) Esi+13.354003,452.2753,13.354003,2.156463047,1.999528869,2.41214176,2.157058945,2.340234629,2.08279584,2.303076957,1.86307108,1.697116361,2.061052147,1.759478953,2.020935691,1.690136638,1.974568285
10427,C36 H69 N O8 P,"PC(10:0/18:2(9Z,12Z)) Esi+9.524008",673.4611,9.524008,0.465819635,0.404804318,0.477721418,0.38949105,0.450731953,0.645320974,0.319760397,0.183144131,0.205175015,0.156861673,0.176448026,0.177327039,0.308132318,0.102559642
10428,C16 H N2 O10 P S3,C16 H N2 O10 P S3 Esi+13.760988 :1,507.8498,13.760988,1.834774478,1.920512492,1.853816044,1.862596121,1.861941477,1.979316867,1.862061456,1.142367075,1.233043455,1.034191745,1.195181759,1.050910015,1.245790121,1.075686427
10429,C32 H54 N11 O,C32 H54 N11 O,606.4501,15.211968,0.28003248,0.300278887,0.156787465,0.284038435,0.192800682,0.126524113,0.283638747,-0.203263622,-0.237535814,-0.162377497,-0.193806679,-0.200358921,-0.121502693,-0.255977905
10430,C27 H54 Cl2 N,C27 H54 Cl2 N,462.3666,14.802001,1.611841508,1.714171405,1.557719063,1.654919385,1.539608133,1.862461263,1.481556452,-1.73390077,-1.947682603,-1.478862794,-1.818566719,-1.581258181,-2.023375841,-1.547265527
10431,C11 H10 N4,Glu-P-1,198.0899,4.5040135,0.092248681,0.032555798,0.12866834,0.048132278,0.031811219,0.356394507,0.08902286,-0.018412749,-0.044804855,0.01307257,0.008548106,-0.079829071,0.263878929,-0.200416595
10432,C8 H28 N9 O2 S,C8 H28 N9 O2 S,312.1932,9.527,0.94177752,0.894291581,1.071479716,1.001853969,0.858430972,1.045705485,0.905228809,0.63116103,0.596327857,0.672716394,0.670480152,0.578052811,0.727227243,0.569223603
10433,C29 H59 N8 O4,C29 H59 N8 O4 Esi+14.788027,583.4646,14.788027,0.601991201,0.519299318,0.625829337,0.608847813,0.563009478,0.409510212,0.678824045,0.461435857,0.36936376,0.571276254,0.4078844,0.519231587,0.308646826,0.559944575
10434,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+14.736028 :1",280.2401,14.736028,1.547857229,1.764378781,1.108033699,1.644863903,1.318014993,1.654533312,1.387149738,-1.340310091,-1.634214355,-0.989687461,-1.401947158,-1.271160016,-1.445843521,-1.272268801
10435,C52 H93 N O16,C52 H93 N O16,987.6508,14.856991,1.14837835,1.131929582,0.958472541,1.076963234,1.067941153,0.859408975,1.194130218,-0.822155564,-0.908398879,-0.719268803,-0.72482126,-0.972351011,-0.615429812,-0.955439273
10436,C30 H54 O5,C30 H54 O5 Esi+15.522965,494.3969,15.522965,1.300805811,1.3907114,1.083246169,1.27608673,1.22070806,1.291951045,1.235625098,-1.095730176,-1.301149491,-0.850668538,-1.063264769,-1.126130877,-1.19002774,-1.034933063
10437,C36 H64 N6 O15,C36 H64 N6 O15,820.4422,8.552001,1.387248405,1.268048408,1.528115782,1.440663054,1.237588037,1.557284886,1.289219531,0.65639737,0.616494132,0.704001234,0.721166348,0.557236495,0.754544989,0.593117985
10438,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+9.56801,661.4568,9.56801,0.35081587,0.275217486,0.467589505,0.437928581,0.250803706,0.130449159,0.359600676,-0.201337336,-0.139440971,-0.275178613,-0.191900519,-0.242311826,-0.054483779,-0.296019234
10439,C19 H30 O8,Sonchuionoside C Esi+8.453985,386.1949,8.453985,0.077603552,0.18571636,0.010262874,0.182804464,0.133003562,0.11601389,0.211426917,-0.017766134,-0.082729455,0.059733968,0.037946695,-0.105505519,0.158720048,-0.131553277
10440,C42 H79 N O8 P,"PC(16:1(7Z)/18:2(9Z,12Z))[U] Esi+14.414002",773.584,14.414002,0.109968016,0.099945526,0.070846498,0.301548269,0.091329647,0.038988282,0.17766614,-0.064301194,-0.048516558,-0.083131987,-0.128551391,0.009425123,0.046886453,-0.135987966
10441,C28 H46 O5,Polyporusterone F Esi+14.492975,462.3322,14.492975,0.878083636,0.837404219,0.785678188,0.72920197,0.989263301,0.665937806,0.939469333,-0.625850536,-0.657408469,-0.588202476,-0.538493044,-0.767621122,-0.474931658,-0.723153497
10442,C14 H24 O4,Monomenthyl succinate Esi+9.017975,256.1635,9.017975,0.213243022,0.317706531,0.028536888,0.262095726,0.112353447,0.143769292,0.215138716,-0.104169718,-0.164857071,-0.031770771,-0.147603559,-0.051279939,-0.124400943,-0.091125903
10443,C21 H44 O4,C21 H44 O4 Esi+15.368958,360.3236,15.368958,0.101044376,0.22130633,0.063899902,0.021910311,0.17024003,0.207987132,0.058403467,-0.046849262,-0.139578168,0.063774696,-0.017425781,-0.100925478,-0.118751366,-0.000491326
10444,C46 H73 N13 O P,C46 H73 N13 O P,854.5781,14.34002,0.314160548,0.212123352,0.318182391,0.223305716,0.325151579,0.085232986,0.343362128,-0.276958697,-0.226313731,-0.337377254,-0.141969483,-0.46891288,-0.034403957,-0.433342675
10445,C34 H49 N21 O P,C34 H49 N21 O P,798.4161,13.379019,2.216469845,2.127560443,2.501445631,2.233569967,2.409987401,2.253426187,2.317387196,1.676209289,1.518942314,1.863826031,1.573503457,1.80262801,1.541226959,1.76323737
10446,C27 H39 N O5,N-docosahexaenoyl glutamic acid Esi+10.870021,456.2723,10.870021,0.989332694,0.812223733,1.189643171,0.941094321,0.954549238,0.995804736,0.953691122,1.264220683,1.161032973,1.38732181,1.311550308,1.175272564,1.336048597,1.21791058
10447,C20 H30 N6 O6,Glu Phe Arg Esi+12.052984,450.2231,12.052984,0.40550148,0.279987997,0.634985205,0.434243979,0.529454144,0.268750834,0.58622065,0.356039862,0.20517642,0.536017302,0.275268679,0.420958902,0.08630289,0.529949226
10448,C11 H19 N S,2-Pentyl-4-propylthiazole,214.1501,6.845982,0.036176245,0.362827579,0.565122427,0.042212455,0.082024796,0.170493459,0.148577957,-0.005860073,-0.061671021,0.060721409,-0.012108977,0.004317301,-0.036942149,0.014179687
10449,C34 H34 N4 O4,Protoporphyrin,584.2384,13.669982,1.104883746,1.055105921,1.042326935,0.760434306,1.361063882,0.948797989,1.152179243,-0.433650843,-0.449754577,-0.41443937,-0.356607378,-0.542205137,-0.42965055,-0.436229979
10450,C6 H14 O3,"Polypropylene glycol (m w 1,200-3,000) Esi+3.4039955",134.0942,3.4039955,0.037679481,0.037243149,0.030196735,0.074141921,0.013867927,0.001743588,0.019667076,0.075462514,0.058621546,0.095553493,0.111856338,0.044885578,0.15049043,0.027089252
10451,C22 H38 O7,Ascorbyl Palmitate Esi+10.715994,414.2607,10.715994,1.244862674,1.275268174,1.330738743,1.349131852,1.165898212,1.322391582,1.251447088,0.708751693,0.723773608,0.690830812,0.754631282,0.632089935,0.765772851,0.671988052
10452,C18 H37 N O,Stearamide Esi+14.913029,283.2871,14.913029,2.2815864,2.351064938,2.15763675,2.286490338,2.419923407,2.446524686,2.228537726,-1.188001418,-1.262336675,-1.099320761,-1.188382235,-1.179331522,-1.213534521,-1.171539286
10453,C18 H31 N8,C18 H31 N8 Esi+8.870988,359.2728,8.870988,0.297324808,0.18537687,0.394629897,0.27488114,0.273250328,0.128409621,0.293158555,-0.180078036,-0.073865409,-0.306787836,-0.157162406,-0.228905361,-0.111182132,-0.224497763
10454,C26 H50 O3,3-oxohexacosanoic acid Esi+15.371008,410.3749,15.371008,1.635155653,1.660668593,1.627174202,1.543284475,1.759882673,1.797245109,1.557081476,-1.159800281,-1.183493112,-1.13153515,-1.104576666,-1.22338042,-1.124838957,-1.182341135
10455,C25 H2 N O16 P,C25 H2 N O16 P Esi+13.762959,602.9097,13.762959,1.898459033,1.929707826,1.937747416,1.895022083,1.99424025,1.934303798,1.964535332,1.358819254,1.445768666,1.255090131,1.369571355,1.325247011,1.4027272,1.330510184
10456,C28 H63 N10 O3 P,C28 H63 N10 O3 P,618.4749,14.405024,0.209390236,0.236698262,0.050540751,0.102195472,0.165690594,0.1953982,0.09422054,-0.117323231,-0.188136692,-0.032844015,-0.095973128,-0.172785016,-0.186201266,-0.072915025
10457,C18 H50 N25 P,C18 H50 N25 P,647.4401,13.607979,0.900319079,0.946218539,0.878598503,0.841194309,0.890849613,0.885087437,0.891303737,0.966455923,1.048322195,0.868790898,1.000904116,0.879683602,1.020074531,0.931886032
10458,C21 H38 N,Benzalkonium Esi+11.803975,303.2921,11.803975,0.09736606,0.002721798,0.126121948,0.14555517,0.088210493,0.02596318,0.080222319,0.036699945,0.016277572,0.061063478,0.092290169,-0.063673682,0.045695532,0.030900159
10459,C23 H30 D4 O5,Latanoprost (free acid)-d4,394.2658,13.331036,1.589303083,1.702030284,1.587536162,1.548076677,1.736928026,1.763861466,1.607959829,-1.378434325,-1.522164663,-1.206966552,-1.320999196,-1.441319223,-1.314373587,-1.419736643
10460,C20 H22 N2 O3,beta-Cyclopiazonate,338.1658,12.98802,0.878639546,0.744928398,1.190499936,0.867078765,1.161470116,0.848731074,1.02675527,0.729227343,0.495548517,1.008002082,0.613365309,0.929050254,0.521795567,0.862966251
10461,C24 H38 N3 O3,C24 H38 N3 O3,415.2995,14.177982,1.014961206,0.85948625,0.930863184,0.887107181,0.928457923,0.948026227,0.942904475,-0.76781262,-0.790248843,-0.741046599,-0.755657119,-0.801596804,-0.820666531,-0.733735756
10462,C25 H36 O2 S,CAY10412 Esi+9.822999,400.2434,9.822999,0.019696797,0.053166902,0.076907357,0.046964668,0.037821977,0.070848276,0.101358382,0.021971393,-0.04088428,0.096957107,0.08021371,-0.034332495,-0.010166972,0.042692181
10463,C15 H26 O5,C15 H26 O5 Esi+8.021981 :2,286.1775,8.021981,0.606457268,0.468565361,0.631707696,0.434174892,0.657455889,0.337415122,0.648070883,0.536051585,0.489351674,0.591763759,0.396132402,0.748583536,0.338394922,0.663488117
10464,C23 H35 N5 O4,Leu Trp Lys Esi+12.876972,445.2676,12.876972,1.05079021,0.646665661,1.557625693,0.962697929,1.219108497,0.928681855,1.156979492,1.025678994,0.634268059,1.492625372,0.867804685,1.251094733,0.853074769,1.136963296
10465,C35 H46 O4,(-)-Neolinderatin Esi+11.9199915 :1,547.3704,11.9199915,0.772145973,0.562084189,1.146285664,0.81130392,0.757036978,0.782471067,0.802677029,0.771586114,0.599027732,0.977445236,0.791930277,0.72204129,0.728260077,0.799520006
10466,C46 H82 N2 O18 S,C46 H82 N2 O18 S,982.5297,14.114991,1.141375574,1.135063079,1.054815892,1.216498319,1.135503133,1.163507679,1.083644437,0.679575096,0.66141195,0.70124341,0.698653075,0.622146152,0.681895756,0.67807888
10467,C20 H38 O,"9R,10S-Epoxy-6Z-eicosene Esi+16.048035",311.3182,16.048035,2.37395493,2.45176805,2.375549765,2.481125396,2.455140864,2.596397835,2.363958965,-1.206113582,-1.318526662,-1.072006749,-1.204163381,-1.214266351,-1.254622672,-1.174837985
10468,C23 H43 N O3 S,N-oleoyl methionine Esi+8.260008,413.2981,8.260008,0.310739032,0.264698651,0.44618324,0.546996526,0.100025054,0.654233642,0.08093421,-0.295895692,-0.2284917,-0.376307471,-0.41908608,-0.127082102,-0.421925898,-0.214639374
10469,C17 H32 N7 O,C17 H32 N7 O Esi+10.418969,350.2665,10.418969,0.476695638,0.41380495,0.480282004,0.280875892,0.673474818,0.48720501,0.449629682,-0.438248354,-0.379210746,-0.508679185,-0.315420867,-0.629666644,-0.41795939,-0.451329397
10470,C11 H17 N7 O,C11 H17 N7 O,263.1492,7.3609886,1.271004904,1.411130613,1.018592242,1.145878629,1.398529614,1.19972187,1.301187201,-0.513832432,-0.553209005,-0.46685687,-0.443650025,-0.626448938,-0.408651168,-0.581646668
10471,C33 H66 N O4,Hexacosanoyl carnitine Esi+14.148984,539.491,14.148984,0.353667664,0.226933828,0.464181422,0.206282086,0.439723102,0.258761428,0.3675914,0.277074008,0.214812609,0.351350765,0.229324793,0.339797475,0.254579596,0.291576984
10472,C14 H29 N O,Halaminol A Esi+13.904036,227.2245,13.904036,1.90175709,2.079561421,1.833949078,1.90392124,2.070059854,2.196049108,1.869198303,-0.728373149,-0.806790082,-0.634823123,-0.700184513,-0.759062674,-0.76070315,-0.707528806
10473,C41 H62 O12,Avermectin B2a monosaccharide Esi+13.552001,768.4067,13.552001,0.952773214,0.862987332,1.006612288,1.154665373,0.630232222,1.022858586,0.860063383,0.944926967,0.831264404,1.080524411,1.084511917,0.725489809,0.979071299,0.922912859
10474,C28 H46 O6,Polyporusterone A Esi+15.431954,478.326,15.431954,0.760128985,0.858401956,0.486891566,0.763636769,0.593541552,0.616808726,0.700020451,-0.832765692,-1.111579568,-0.500145628,-0.806358293,-0.890814523,-0.773879169,-0.870732002
10475,C14 H20 N6 O2,Discadenine,304.1654,10.639987,1.477352224,1.59138718,1.219969177,1.417679214,1.421826729,1.526188576,1.412992665,-1.015161379,-1.093686915,-0.921481793,-0.929898935,-1.117147944,-0.97470712,-1.041243731
10476,C42 H79 O10 P,"PG(22:2(13Z,16Z)/14:0)",773.5281,14.879961,1.119120675,1.146094528,0.9612745,1.233060463,0.872604441,0.911737055,1.135096858,-1.035287343,-1.197623005,-0.841623746,-1.053025538,-1.046197988,-0.901291562,-1.12167936
10477,C13 H27 N O4,C13 H27 N O4,261.1922,0.8630015,0.025615765,0.099359907,0.30079787,0.157093548,0.296412704,0.011034366,0.110691936,0.149782935,-0.090315333,0.436215956,0.012442296,0.321203466,0.026677877,0.229153302
10478,C19 H18 N12 O12 P,C19 H18 N12 O12 P Esi+13.352033,636.1071,13.352033,0.057993186,0.139039281,0.22607352,0.087152224,0.17354349,0.068855606,0.049656562,0.041910986,-0.002715735,0.09514988,0.031955774,0.03979719,0.082020736,0.016050751
10479,C15 H24 N O,C15 H24 N O Esi+8.353018,234.1821,8.353018,0.692955465,0.704640962,0.666063979,0.603752321,0.792109349,0.774773354,0.614807016,-0.690884721,-0.688167299,-0.694126557,-0.638255691,-0.759741363,-0.804785406,-0.617448752
10480,C26 H54 N O7 P,PC(2:0/O-16:0)[U] Esi+15.208007,522.3503,15.208007,0.017964303,0.166108509,0.259878871,0.196708274,0.272576682,0.135260514,0.156538547,0.042293447,-0.123109523,0.239616288,-0.106461224,0.272082995,-0.128236159,0.152240166
10481,C23 H55 N9 O12,C23 H55 N9 O12,649.4163,9.974022,0.224491601,0.271175084,0.181040851,0.161253903,0.244799414,0.122621774,0.313721515,0.075803659,0.0572666,0.097918046,0.036179043,0.124509156,0.021460917,0.110840427
10482,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3) Esi+16.222967",502.4003,16.222967,2.053335539,2.015011543,1.766571789,1.956827023,1.92015158,1.911822691,1.967522057,-3.398211641,-3.603762626,-3.152992922,-3.368877324,-3.44658131,-3.428522889,-3.378668862
10483,C20 H32 O8,Cincassiol B Esi+9.3609915,400.2091,9.3609915,0.142070908,0.255924496,0.006355175,0.173557925,0.162545629,0.086018478,0.303797389,-0.056980257,-0.167067503,0.074351896,-0.033616635,-0.103453018,0.071678758,-0.139931464
10484,C40 H84 Cl N O2 P S3,C40 H84 Cl N O2 P S3,772.5101,12.75299,0.870626221,0.799863916,0.959931947,0.81265072,0.913802328,0.803515888,0.961159192,0.382148237,0.407340331,0.352094511,0.381987094,0.353392985,0.364709594,0.393391572
10485,C16 H28 O4,(10S)-Juvenile hormone III diol Esi+10.173003,284.1972,10.173003,0.117664381,0.08811685,0.349463103,0.053403368,0.246188887,0.127893882,0.270316678,0.089278525,-0.191390414,0.424111645,-0.077297677,0.347475193,-0.254109754,0.310673599
10486,C30 H42 N2 O2,Arachidonoyl Serotonin Esi+14.033991,462.3243,14.033991,0.523322238,0.389159493,0.688432471,0.525076215,0.459258524,0.804804222,0.394362082,0.478040053,0.364995057,0.612900751,0.486595406,0.451949275,0.683050101,0.345862523
10487,C47 H66 Cl N10 O P,C47 H66 Cl N10 O P,852.4901,14.14899,0.728448787,0.720175816,0.790259597,0.941054463,0.560432392,0.62393195,0.799855129,0.694877305,0.662362516,0.733666878,0.816767273,0.535650468,0.517625864,0.80915784
10488,C25 H33 N26 O4 P S5,C25 H33 N26 O4 P S5 Esi+13.655025,952.1525,13.655025,0.791091117,0.695936536,0.724089872,0.84694874,0.443219969,0.5669948,0.77971276,-0.311861975,-0.324064038,-0.297305127,-0.318245446,-0.322473895,-0.219388423,-0.37148308
10489,C34 H54 O11,"26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi+10.993984",319.1839,10.993984,1.453086377,1.269006392,1.532103889,1.422959043,1.388948064,1.358337319,1.407028016,0.559669813,0.51356234,0.614675219,0.563909773,0.554610187,0.554745636,0.562844611
10490,C18 H33 N15 P,C18 H33 N15 P Esi+9.003019,490.274,9.003019,1.028153506,0.91461881,1.034670477,0.993794428,0.952725856,1.044918523,0.993628543,0.98703154,1.016424237,0.951966567,0.981399613,0.964371625,1.058478621,0.940966974
10491,C20 H32 N6 O7,C20 H32 N6 O7 Esi+10.135988 :1,468.2339,10.135988,1.224082679,1.096124423,1.463898538,1.287159815,1.242207066,1.362071116,1.231533849,1.767088848,1.58138957,1.988624829,1.715653093,1.809094709,1.71502541,1.800656064
10492,C16 H28 O7,"1,8-Epoxy-p-menthan-4-ol glucoside Esi+9.504008",354.1654,9.504008,1.267073222,1.108547801,1.582659488,1.049793754,1.698741404,1.215613416,1.385432173,1.477908486,1.218921607,1.78687529,1.176034892,1.921299525,1.22702966,1.639659308
10493,C29 H54 S2,C29 H54 S2 Esi+14.431956,466.366,14.431956,1.177005744,1.355660582,0.746757678,1.20825329,1.007068134,1.131905284,1.101355639,-0.916149288,-1.159922014,-0.625332702,-0.929750247,-0.914434485,-0.897952754,-0.927881264
10494,C16 H32 N6 O5,Lys Lys Asn Esi+8.775016,388.2445,8.775016,0.376343783,0.421755325,0.252303103,0.37742014,0.247002384,0.245062278,0.266109209,-0.605594121,-0.563714198,-0.655556135,-0.648236208,-0.59644438,-0.532503924,-0.652718064
10495,C3 H13 N7 O3 P,C3 H13 N7 O3 P,226.0814,4.960002,0.819516431,0.843009481,0.678806321,0.714013643,0.763598964,0.768422228,0.819341257,0.757143834,0.799190536,0.706982856,0.817563097,0.669919709,0.882065267,0.676602383
10496,C14 H24 O4,C14 H24 O4 Esi+10.022983,256.1782,10.022983,1.058609945,1.131705821,0.895923093,1.013254795,1.077809399,1.006407044,1.03965765,-1.022273662,-1.137362179,-0.88497508,-0.996607195,-1.028651637,-1.107561621,-0.967285373
10497,C19 H29 N7 O6,Asn Tyr Arg,473.1994,8.86203,1.258889571,1.399827779,1.167780388,1.206817418,1.247037669,1.243562979,1.289349095,-0.749965848,-0.754035702,-0.745110584,-0.788006656,-0.711139837,-0.745905454,-0.752583734
10498,C46 H77 N O8 P,"PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+14.090017",819.5686,14.090017,0.33404262,0.326713208,0.378935382,0.35750719,0.366901143,0.288946505,0.350385059,0.400607556,0.425139965,0.371340822,0.466539314,0.37698436,0.457880225,0.363681756
10499,C27 H48 O2,15beta-hydroxycholestane,404.3643,14.947018,0.673377234,0.573875982,0.717876929,0.714964122,0.572228829,0.786572972,0.551043258,-0.709974665,-0.674720098,-0.752032745,-0.754480246,-0.636096043,-0.869329727,-0.607232586
10500,C50 H89 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/19:0) Esi+14.758038",950.591,14.758038,0.501506669,0.523180668,0.46651851,0.668302714,0.36667738,0.465086034,0.577626079,0.361462368,0.347839697,0.377713975,0.419247205,0.294331697,0.302273857,0.399623382
10501,C15 H30 O,3-Ethyltridecan-2-one Esi+9.708986,243.2561,9.708986,0.070766063,0.040035666,0.078298298,0.031152693,0.01517373,0.072915606,0.0565965,-0.110559973,-0.053783472,-0.178293343,-0.154827141,-0.026352961,-0.145797657,-0.087840941
10502,C27 H55 N8 O4,C27 H55 N8 O4 Esi+13.477033 :1,555.4367,13.477033,0.577851933,0.615615873,0.487659648,0.750353007,0.323867895,0.363933151,0.66066421,-0.22203287,-0.231055648,-0.211268854,-0.252730256,-0.195028924,-0.049081134,-0.333541226
10503,C28 H40 O6,Macrocarpal H,472.2795,12.257014,0.610572382,0.466118128,0.680881241,0.761474384,0.376315279,0.425192333,0.803115552,-0.591061812,-0.593981234,-0.587578993,-0.783244421,-0.278244345,-0.369494596,-0.73391436
10504,C17 H35 N5 O4 S,Lys Lys Met,405.2411,8.781005,0.688816314,0.627325713,0.719923617,0.652125172,0.750083085,0.85484926,0.542668852,-0.450221463,-0.435162391,-0.468186672,-0.424291494,-0.499302629,-0.553209024,-0.383821588
10505,C17 H35 N,(-)-Solenopsin A Esi+11.990983 :1,275.2609,11.990983,0.104933896,0.163403581,0.046890254,0.006178345,0.207683794,0.288118116,0.010208188,0.000877619,0.024682792,-0.027521535,0.105264875,-0.133932623,-0.029553286,0.020497545
10506,C40 H61 Cl N8 O S,C40 H61 Cl N8 O S Esi+13.883035,734.4314,13.883035,0.358288541,0.500031708,0.018368163,0.361859643,0.254856274,0.163656527,0.388271643,-0.295488265,-0.497475884,-0.054520579,-0.248164621,-0.375550534,-0.147117673,-0.391148251
10507,C19 H27 N5 O4,Alfuzosin Esi+13.840027,406.2329,13.840027,1.900737163,1.633338304,2.082762716,1.791362873,1.993135172,1.759367292,1.933925599,1.520561492,1.419692921,1.640895927,1.472562061,1.587684303,1.476389645,1.549040709
10508,C19 H33 N O4,Tumonoic Acid A Esi+8.8260145,339.2407,8.8260145,0.57325467,0.396532158,0.687047056,0.402909935,0.712010487,0.497982305,0.575743352,0.430457445,0.396086134,0.471461815,0.349556692,0.52327546,0.429923998,0.430801377
10509,C21 H36 N13 O12,C21 H36 N13 O12,662.261,6.140012,0.835151213,0.796991483,0.738712631,0.704071856,0.892511596,0.621664398,0.936391567,0.577936146,0.600969952,0.550457219,0.513768822,0.660996942,0.537259724,0.604161734
10510,C47 H82 N O10 P,"PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))",850.556,15.084976,0.016125765,0.088212014,0.243100148,0.226251125,0.298639926,0.100030671,0.061598937,0.089769494,0.154622643,0.012400825,0.279614447,-0.164431242,0.204899583,0.015540884
10511,C25 H32 N19 O8,C25 H32 N19 O8 Esi+14.391044,726.2675,14.391044,1.489970922,1.458130499,1.729180188,1.652634321,1.604981344,1.637380908,1.614646494,1.08353022,1.060209896,1.111350957,1.038821636,1.14436338,1.035061123,1.114780033
10512,C44 H67 N21 O4 P,C44 H67 N21 O4 P,984.5413,12.899975,1.469130886,1.279461451,1.643820104,1.38521417,1.5617511,1.338922712,1.50384472,0.721575345,0.64878475,0.808413248,0.744752838,0.691896512,0.693180334,0.739882655
10513,C22 H45 N8 O,C22 H45 N8 O Esi+14.341012,437.371,14.341012,0.52917666,0.432416295,0.602576001,0.513115803,0.557038713,0.241007777,0.702660404,0.335919453,0.292577092,0.38762613,0.330852016,0.321603341,0.185354156,0.432994448
10514,C14 H25 N O4,C14 H25 N O4 Esi+5.489011,271.1617,5.489011,0.253109594,0.199122616,0.317651615,0.290259362,0.331334731,0.05044117,0.390729616,0.25118523,0.211814085,0.298154315,0.270365466,0.224105253,0.116143735,0.338251457
10515,C28 H40 O9,Withaperuvin B Esi+9.031989,520.2649,9.031989,0.496615919,0.474708593,0.436029992,0.551438848,0.304805028,0.584239305,0.381689793,0.286271845,0.395688056,0.155740224,0.392733854,0.113291181,0.460475516,0.17395632
10516,C36 H48 O8,24-Acetyl- 25-cinnamoylvulgaroside Esi+13.569998,608.3489,13.569998,0.220338232,0.356952734,0.024117416,0.238713992,0.05130774,0.089278799,0.292319993,-0.129640965,-0.290783823,0.062599639,-0.229547597,0.038350583,-0.084194714,-0.158941837
10517,C19 H38 N6 O6,C19 H38 N6 O6 Esi+9.475992,446.2844,9.475992,0.287663994,0.384058673,0.146958688,0.228569676,0.366211214,0.304884894,0.332389731,0.2526221,0.406298674,0.069288642,0.204940219,0.285015202,0.321156776,0.208435269
10518,C22 H39 N,C22 H39 N Esi+12.956034,317.3076,12.956034,1.044497121,1.134570302,0.736529986,0.971772153,1.027556573,1.19409674,0.968252537,-0.455353807,-0.587869159,-0.297265318,-0.452153969,-0.454534289,-0.570441228,-0.381152707
10519,C9 H18 N2 O2,C9 H18 N2 O2,186.1369,0.867001,0.531764279,0.62475994,0.377641565,0.452580316,0.548545329,0.409540673,0.567962808,-0.349066836,-0.390094088,-0.300122045,-0.344787528,-0.361155192,-0.314492672,-0.371358074
10520,C46 H73 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",815.4857,8.552984,0.274199775,0.031629322,0.814756657,0.246189464,0.513935181,0.108228988,0.460972546,0.088749433,-0.017828036,0.215894484,0.044460523,0.156171134,0.017985368,0.134373633
10521,C12 H22 O17 Sb2,Sodium stibogluconate,696.9273,12.785969,0.827366777,1.089545459,0.291817078,0.722851238,0.802655248,0.992812987,0.685918413,-0.455442741,-0.661013384,-0.21020057,-0.412148831,-0.498358402,-0.603610722,-0.359913384
10522,C31 H44 O2 S,C31 H44 O2 S,478.3269,14.188979,0.21191884,0.456974975,0.143259256,0.279199742,0.122907493,0.271793153,0.071197383,-0.092967143,-0.284633836,0.13568786,-0.133960345,-0.046602302,-0.196734249,-0.026064666
10523,C13 H22 O4,2-Carboxy-4-dodecanolide Esi+7.9360104,242.1519,7.9360104,0.545542882,0.502213758,0.437755708,0.362414287,0.56783607,0.058442844,0.728435298,-0.310606758,-0.339997847,-0.275543704,-0.228022979,-0.429005251,-0.112432252,-0.438377164
10524,C29 H38 N4 O4,Mucronine A Esi+11.152015,528.2696,11.152015,1.622391676,1.314268965,1.998371221,1.658580454,1.619390393,1.567631836,1.665856859,0.768848617,0.649855588,0.910805214,0.789378842,0.735804101,0.756294511,0.776942712
10525,C28 H47 N21 O2 P,C28 H47 N21 O2 P,740.3959,12.620032,2.048645798,1.923799504,2.240339335,2.080994831,2.14331484,2.035657872,2.134279247,2.250017493,2.041141902,2.499202407,2.168089311,2.351412567,2.090825686,2.352654315
10526,C13 H26 N2 O,C13 H26 N2 O,226.2042,6.765993,0.343707376,0.253145066,0.416358634,0.349345116,0.3402389,0.21856639,0.395830313,-0.196263137,-0.184051411,-0.210831511,-0.211629765,-0.203593314,-0.16567744,-0.215982862
10527,C22 H42 O4,Dioctyl hexanedioate Esi+11.891026,387.3366,11.891026,0.982386268,1.051810959,0.774429285,0.965914778,0.871482055,0.897576064,0.978883263,-0.703177497,-0.754517598,-0.641929657,-0.710736702,-0.701573601,-0.626868034,-0.752377019
10528,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.913005 :1,285.2663,9.913005,0.100711839,0.061896661,0.259030703,0.40135586,0.136800958,0.232654492,0.126890449,0.109612286,0.028905812,0.205893693,0.238418586,-0.062303754,0.108664015,0.110223671
10529,C35 H60 N2 O4,Pancuronium Esi+9.54299,571.4437,9.54299,0.586989083,0.39343832,0.737532902,0.615707057,0.437742118,0.866218907,0.423338534,0.195698399,0.152569997,0.247149824,0.216468561,0.156432648,0.279256788,0.141825226
10530,C10 H12 O4,"(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione",196.071,5.468007,0.702789672,0.548419574,0.916077185,0.407296645,1.12596,0.438122574,0.955350028,-0.831043331,-0.724720572,-0.957884516,-0.520025435,-1.236892193,-0.529545485,-1.025430099
10531,C46 H82 N O9 P,"PS(P-20:0/20:4(5Z,8Z,11Z,14Z)) Esi+14.73298",845.5549,14.73298,1.482571105,1.454594983,1.212248632,1.418098684,1.358404141,1.24412093,1.479413576,-1.023443283,-1.103746472,-0.927642988,-0.950734808,-1.107977362,-0.940392233,-1.076989355
10532,C28 H48 O9,"24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol Esi+12.252994",550.3114,12.252994,0.188915876,0.308132022,0.083299527,0.254796883,0.035090331,0.216565318,0.102602683,-0.250579113,-0.370946812,-0.106982561,-0.29812379,-0.192818391,-0.302953662,-0.216811312
10533,C46 H95 N O7 P,PC(O-20:0/18:0),803.6758,8.1739855,0.083502617,0.183009234,0.332670405,0.099497782,0.09872935,0.19019841,0.029080971,0.104141351,0.179241909,0.014547703,0.069003668,0.144762616,0.155880604,0.070783149
10534,C50 H85 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)) Esi+13.101012",898.5637,13.101012,0.551103298,0.444117222,0.763998641,0.512952915,0.690408953,0.605467111,0.601140449,0.437323531,0.373024829,0.514030754,0.402805621,0.460791384,0.444150483,0.432921943
10535,C22 H44 Cl N O2,C22 H44 Cl N O2,389.3061,14.324968,1.896190048,2.027235397,1.65782161,1.957680625,1.907100128,1.965125011,1.908556052,-0.992345515,-1.121431302,-0.838348437,-0.958452296,-1.035229144,-1.003820457,-0.984947198
10536,C29 H40 P,C29 H40 P,419.2937,15.285957,1.514950604,1.487601496,1.401779887,1.513705695,1.421338159,1.404447891,1.51789709,-0.789410681,-0.839465356,-0.729696332,-0.815683419,-0.737087509,-0.735527533,-0.824151132
10537,C29 H59 N O3,C29 H59 N O3,469.4488,13.74701,1.230788762,1.410933654,0.857787746,1.36335211,1.0185885,1.379946811,1.140260725,-0.70636528,-0.889387979,-0.488022411,-0.798517447,-0.568459448,-0.823000926,-0.631165982
10538,C43 H95 Cl N16 O2 P S,C43 H95 Cl N16 O2 P S,965.6795,14.21404,1.514479218,1.514983257,1.101343349,1.516038495,1.190266721,1.429042189,1.360529266,-0.932508542,-1.070020185,-0.768459564,-0.979305224,-0.891802489,-1.020733302,-0.875626788
10539,C34 H36 N2 O3 S5,C34 H36 N2 O3 S5 Esi+13.21198,680.1327,13.21198,0.657764926,0.65585786,0.488110795,0.682754377,0.359831659,0.478615936,0.628883238,-0.232762056,-0.262296466,-0.197528023,-0.25598803,-0.206386179,-0.235363411,-0.231084867
10540,C30 H52 O6,Fasciculol C Esi+14.396977,508.3757,14.396977,0.028332701,0.192796711,0.20250593,0.01883363,0.055491222,0.306446725,0.178424245,0.004130093,-0.100305771,0.128720246,0.037904621,-0.055818685,-0.213909224,0.144708073
10541,C24 H33 N O3,"(E,E,E)-Sylvatine",383.252,5.920007,0.044910257,0.27633735,0.267693625,0.070230067,0.104549299,0.321361816,0.124419008,-0.078570223,0.265636796,-0.489203157,-0.079032292,-0.103217895,0.258035558,-0.295592371
10542,C20 H32 O8,Cincassiol B Esi+11.580006,400.2092,11.580006,1.938855374,1.603654456,2.297268062,1.867664519,2.031760363,1.843514162,1.979781876,3.075903069,2.616142443,3.62438943,2.946709035,3.247444047,2.939410886,3.163904608
10543,C44 H70 O9,Mycolactone Esi+13.614012,742.4986,13.614012,1.699148433,1.706004486,1.593910903,1.515090688,1.859469559,1.623900535,1.704226747,1.022001206,1.109029537,0.918177935,0.958833957,1.10066379,1.037613041,1.011935681
10544,C19 H32 O8,Dihydroroseoside Esi+5.9180007 :1,388.2087,5.9180007,0.393591006,0.202961389,0.533938084,0.551819358,0.174729023,0.442020399,0.294096632,-0.126352471,-0.032065375,-0.238835321,-0.147201019,-0.112353756,-0.128564927,-0.124926018
10545,C51 H95 Cl3 N4 O4 P S,C51 H95 Cl3 N4 O4 P S,995.5877,14.46503,0.771839137,1.01270558,0.221708318,0.595264731,0.716647818,0.867214187,0.572736729,-1.014513202,-1.430813198,-0.51787461,-0.952563915,-1.080755039,-1.317854804,-0.818937695
10546,C17 H37 N O3,C17 H37 N O3 Esi+8.977008,303.2769,8.977008,1.285401422,1.322889299,1.126073193,1.330031412,1.146723866,1.049752828,1.340602992,0.674196703,0.702535484,0.640389034,0.622491285,0.747669594,0.590420972,0.728210003
10547,C31 H46 O4,Adlupone,482.3393,15.227035,0.707358307,0.325641574,1.11013022,0.765204493,0.699936273,0.615662297,0.758157709,0.415731092,0.160540137,0.720169425,0.393492264,0.476736204,0.24359419,0.526714096
10548,C10 H18 N6 O5,C10 H18 N6 O5,302.1338,4.979991,0.993820331,0.946888426,1.048946898,1.067512969,1.001045918,1.129646793,0.946008301,-1.001330048,-0.882408934,-1.143200851,-0.882935401,-1.166447621,-1.036849842,-0.978429128
10549,C22 H41 N O,Pipericine Esi+13.75,335.3177,13.75,1.024667387,1.069620192,0.914572323,1.124684355,0.811504331,0.884489493,1.062766941,-0.798649074,-0.856201311,-0.729990264,-0.86066975,-0.708456014,-0.704713161,-0.859213018
10550,C31 H39 N18 P,C31 H39 N18 P,694.3338,14.170967,0.980736808,0.844055311,0.804701608,0.802748358,0.84380943,0.826245486,0.845789337,-0.784878779,-0.700465846,-0.885581927,-0.698002771,-0.906250383,-0.758040641,-0.802182315
10551,C16 H36 N O2 P,C16 H36 N O2 P,305.249,10.511981,1.002887193,0.989394009,0.961901184,1.009299442,0.958109069,0.999743513,1.068305668,0.114565169,0.124539807,0.102665601,0.118891832,0.108845164,0.115862311,0.113728853
10552,C13 H20 O5,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol Esi+6.4169936",256.1318,6.4169936,0.986259208,1.003293346,0.731967188,1.080799304,0.664410942,1.230301132,0.722201836,0.649151263,0.688523565,0.602180798,0.753906774,0.484944802,0.85559282,0.516050786
10553,C44 H70 N10 P S,C44 H70 N10 P S,801.5233,14.147966,1.518113523,1.810803589,0.922004918,1.664215705,1.251753549,1.684840303,1.346178336,-1.798318206,-2.289460949,-1.212393531,-1.897748202,-1.649905658,-1.986836435,-1.676773558
10554,C23 H36 N8 O4,Trp Lys Arg Esi+14.416014,488.29,14.416014,0.045610498,0.019245821,0.096503572,0.012744462,0.161275847,0.045929227,0.067560357,0.020300153,0.111016384,-0.08792272,0.109679261,-0.119534407,0.075934987,-0.015569675
10555,C16 H20 N2 O,(-)-Fumigaclavine B,278.145,10.225986,0.776275748,0.884634478,0.517124196,0.563599948,0.815215911,0.976411989,0.623128014,-0.797326933,-0.842361972,-0.743600922,-0.828287551,-0.730946865,-0.928462675,-0.712778889
10556,C20 H23 N3 O4,Epanolol,386.1911,5.366003,0.759959915,0.786783577,0.578379962,0.47157707,0.982685157,0.377582232,0.848222625,-0.394640695,-0.439538813,-0.341078027,-0.303026783,-0.521283524,-0.248272843,-0.489009441
10557,C15 H30 O2,Undecyl isobutyrate,259.2511,8.978021,0.649571443,0.528910997,0.76074889,0.59894003,0.70752948,0.345331728,0.829118372,0.229673366,0.200680663,0.264261154,0.189767908,0.289806386,0.154977499,0.277832544
10558,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+14.413026 :1",436.3558,14.413026,1.087811052,1.197467458,0.694194273,1.140475097,0.933472175,1.153168591,0.902366759,-0.631202968,-0.874579122,-0.340859487,-0.625499886,-0.596014328,-0.714034849,-0.577798203
10559,C34 H50 O4,"1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol Esi+15.702954",522.3656,15.702954,0.552887614,0.77695756,0.156827723,0.557956233,0.451811099,0.507672962,0.476438391,-0.175826665,-0.314425096,-0.010481168,-0.18822747,-0.163136241,-0.171011045,-0.178931472
10560,C29 H48 O4,"(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol",460.3541,15.236031,0.942963337,0.976942965,0.721672861,1.045182259,0.764604836,0.952034126,0.7939166,-0.933221908,-1.102679041,-0.731062522,-0.999460165,-0.873146138,-1.120730225,-0.812328388
10561,C27 H42 N7 O19 P3 S,"3,4-Didehydroadipyl-CoA Esi+14.100028",915.1335,14.100028,0.85861586,0.772244243,0.712829013,0.891221124,0.471403509,0.748646646,0.717380447,-0.36258655,-0.362557151,-0.362621621,-0.359673524,-0.354921493,-0.336038913,-0.379702789
10562,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester Esi+13.117982,394.2687,13.117982,1.542806709,1.679184843,1.454872628,1.505669869,1.735466852,1.695093785,1.54311869,-1.329852758,-1.432545046,-1.20734266,-1.365649902,-1.285303774,-1.326200087,-1.332207769
10563,C22 H45 N O,Docosanamide Esi+12.572999,339.3494,12.572999,0.051548599,0.260836345,0.630598115,0.241845017,0.002034726,0.077001333,0.213569878,0.066012307,-0.082454432,0.243130522,0.13069296,-0.023667147,0.004671803,0.105560791
10564,C17 H34 O3,17-hydroxy-heptadecanoic acid Esi+9.813985,303.2767,9.813985,0.81373404,0.996704509,0.501673194,0.83805974,0.718904695,0.992521422,0.691751466,-0.277077588,-0.336595274,-0.206074032,-0.301189268,-0.255445413,-0.337817459,-0.237916355
10565,C41 H76 N2 O15,Roxithromycin Esi+14.625981 :1,836.5249,14.625981,0.79863309,0.775996776,0.726567194,0.812138422,0.699399855,0.633177998,0.788638269,-0.564038318,-0.636862114,-0.477160808,-0.501728928,-0.674158561,-0.474906588,-0.621504829
10566,C23 H44 N O6,hexadecanedioic acid mono-L-carnitine ester Esi+13.906986,412.3211,13.906986,0.79348927,0.530111104,1.015225536,0.704359391,0.780206379,0.83961607,0.776467046,0.590599661,0.433936788,0.77749572,0.600498826,0.586483513,0.626022632,0.567761166
10567,C22 H34 O8,Cinnzeylanine Esi+12.201991,448.2074,12.201991,2.054317719,1.924461031,2.205750923,2.060498036,2.121736662,2.121793449,2.091880025,1.515029833,1.446348056,1.596965987,1.486563464,1.528349994,1.625307896,1.443929503
10568,C35 H66 N O10 P,PS(17:1(9Z)/12:0) Esi+15.037029,690.4317,15.037029,0.806173784,0.884551207,0.613744823,0.773081185,0.804959005,0.872214351,0.677527359,-0.654527183,-0.751100297,-0.539317153,-0.618795496,-0.737367575,-0.721074745,-0.611621518
10569,C22 H45 N O3,C22 H45 N O3 Esi+14.864013,371.344,14.864013,2.226019006,2.430750929,2.160324938,2.255932932,2.423782056,2.339246717,2.299747306,-1.791270455,-1.977699174,-1.568864264,-1.712378566,-1.91656526,-1.756681245,-1.813571394
10570,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.519028",333.3025,13.519028,1.558328047,1.761865485,1.299461367,1.638287478,1.571585301,1.919293679,1.459385012,-0.705118795,-0.863177711,-0.516557282,-0.699425688,-0.696825629,-0.838190748,-0.619322405
10571,C38 H79 N5 O4 S3,C38 H79 N5 O4 S3,765.527,13.948979,0.074085614,0.042015059,0.337879693,0.016362203,0.14385108,0.100562997,0.132305201,0.148531504,0.031147734,0.288568281,0.155811713,0.121680698,0.186102763,0.124307928
10572,C34 H40 N2 O3 S3,C34 H40 N2 O3 S3,620.2206,16.260988,0.228401907,0.273472059,0.125784521,0.00860208,0.445795021,0.111164497,0.30418157,0.280291699,0.310316486,0.244472654,0.167201471,0.422237095,0.207466809,0.327244589
10573,C24 H24 O2,"6,9,12,15,18,21-Tetracosahexaynoic acid Esi+5.6550174",344.1805,5.6550174,0.155351432,0.218922089,0.005371779,0.128305496,0.002310459,0.185945581,0.086948704,0.074903288,0.15545485,-0.021193312,0.159634121,-0.079883758,0.153772245,0.024053566
10574,C21 H34 O5 S,Allopregnanalone sulfate Esi+5.3229985,398.2126,5.3229985,0.464768839,0.492005244,0.280702493,0.454216874,0.507530571,0.470366166,0.324368255,0.412657497,0.487856963,0.322945853,0.379240554,0.512745715,0.492893015,0.360926702
10575,C23 H51 N4 O S2,C23 H51 N4 O S2,463.3462,14.498031,0.859750636,0.803612108,0.69502462,0.765301789,0.783413272,0.613454738,0.925168791,-0.301413726,-0.336836374,-0.259155127,-0.307151929,-0.28834024,-0.249470672,-0.334903326
10576,C46 H90 N O18 P,MIPC(t18:0/16:0(2OH)) Esi+14.856988,992.6044,14.856988,0.290282034,0.361617798,0.121799859,0.209589293,0.292205047,0.0201554,0.368852835,-0.097898654,-0.227302123,0.056477414,0.018807238,-0.282903319,0.066579323,-0.203943667
10577,C18 H28 N6 O5,Arg Ser Phe,408.2143,9.508028,0.102584312,0.013959863,0.200908346,0.202945654,0.178236418,0.130283322,0.054651979,-0.022159758,-0.0741298,0.03983959,0.066410582,-0.153963623,0.015242591,-0.04627443
10578,C26 H32 O7,Kurarinol Esi+12.144026,473.2418,12.144026,1.201131406,1.094605219,1.443637822,1.212629277,1.280119592,1.255796406,1.252620832,0.769781108,0.708204951,0.843240383,0.802443595,0.732524495,0.745713968,0.785298079
10579,C16 H24 N2 O,Ropinirole,260.1885,7.4300203,0.620262628,0.793912472,0.500439688,0.802871329,0.541733003,0.868676822,0.563552851,-0.197156589,-0.251435492,-0.132402811,-0.244701374,-0.139024089,-0.264998262,-0.153416564
10580,C18 H19 N6,CAY10498 Esi+10.290003,336.1904,10.290003,1.482691698,1.34347303,1.34619863,1.414339949,1.344292033,1.209074333,1.534837488,-0.744317244,-0.735874955,-0.754388746,-0.679286612,-0.828488967,-0.665354413,-0.79522749
10581,C31 H45 N3 O4 S,Pateamine Esi+11.755988,554.3059,11.755988,2.509760043,2.437174423,2.764732202,2.539072682,2.731756371,2.50207088,2.655697367,4.319453216,3.890377906,4.831332534,4.027971118,4.696873466,3.98706711,4.533754785
10582,C29 H36 N5 O,C29 H36 N5 O,470.2927,13.960992,0.461933337,0.149692057,0.766878392,0.369779507,0.544360611,0.404902165,0.494507,0.310397814,0.163246743,0.485946461,0.302288774,0.324664854,0.303235557,0.315015585
10583,C13 H24 N2 O,Anapheline Esi+9.472007,224.1849,9.472007,0.681605091,0.763926287,0.488238803,0.54400236,0.659847925,0.611281631,0.671290718,-0.438798438,-0.537306225,-0.321280376,-0.441146636,-0.433248601,-0.442979866,-0.436102517
10584,C34 H68 N24 O2 P,C34 H68 N24 O2 P,875.5862,14.16096,0.31118939,0.460474222,0.092358142,0.301688338,0.194126446,0.265741427,0.260805553,-0.172252226,-0.325110383,0.010104874,-0.13028791,-0.260359568,-0.20541787,-0.150869113
10585,C39 H77 O12 P,PI(O-18:0/12:0),785.5402,15.61896,1.052215727,1.069075074,0.756144541,1.024743458,0.767384238,0.9555382,0.92118854,0.816688776,0.919276652,0.69430324,0.914563768,0.676284364,0.895812243,0.765674962
10586,C13 H22 O4,2-Carboxy-4-dodecanolide Esi+8.006985,242.1514,8.006985,0.238541424,0.29755536,0.162973569,0.404985799,0.009177697,0.392148056,0.103025105,-0.15538027,-0.189272263,-0.114947717,-0.253849576,-0.021634492,-0.248019982,-0.095652035
10587,C35 H58 O12,Fungichromin Esi+13.039001,692.3743,13.039001,0.398422225,0.213480458,0.530312782,0.371603651,0.248366945,0.434669077,0.289811665,0.242483466,0.144118077,0.35983165,0.298344844,0.148232829,0.288785584,0.212630785
10588,C60 H84 N4 O6 P,C60 H84 N4 O6 P,987.6147,14.30102,1.36088356,1.405281683,1.149086667,1.223016465,1.43621655,1.325223029,1.374898651,-1.408211312,-1.586469154,-1.195552835,-1.178999811,-1.699833514,-1.38534596,-1.422953447
10589,C30 H56 N2 O2 S2,C30 H56 N2 O2 S2,538.363,14.420997,1.601392526,1.706813514,1.366924345,1.533959814,1.694446303,1.369851421,1.713940077,-1.402538161,-1.527672412,-1.253255195,-1.3255126,-1.552598697,-1.27400205,-1.485410128
10590,C32 H52 N4 O4,Demecarium Esi+10.338999,555.3967,10.338999,0.778010871,0.66032929,0.841198313,0.598816383,0.856203864,0.850269748,0.68552207,0.49113928,0.468565458,0.518069452,0.427837852,0.549152239,0.591586315,0.426377375
10591,C31 H37 N5 O3,Doramapimod Esi+10.651,526.2759,10.651,2.143262961,2.142186212,2.390899365,2.305967032,2.342621403,2.120915248,2.316597282,3.264715205,2.762927911,3.863338645,3.209960713,3.407602865,3.042161047,3.40820407
10592,C29 H53 Cl N4 O4,C29 H53 Cl N4 O4,556.3747,14.281986,0.73922453,1.00915193,0.385721074,1.019307676,0.424768338,0.738973025,0.691005934,-0.622567517,-0.899436414,-0.292267781,-0.820422269,-0.376041909,-0.609085313,-0.631259991
10593,C33 H52 N6 O10,C33 H52 N6 O10,692.3743,13.03802,0.346348648,0.17259943,0.461017675,0.346188753,0.16967853,0.427687996,0.197982082,0.27099312,0.168351056,0.393443301,0.341166408,0.156847635,0.340217087,0.226361878
10594,C34 H62 O5,DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi+16.552,567.4805,16.552,0.314567136,0.265122952,0.479099293,0.198414527,0.544595894,0.597169551,0.199702441,0.372330531,0.326928511,0.426494345,0.33260362,0.415786023,0.513050972,0.281602878
10595,C41 H60 O9,Lasonolide A Esi+13.980972,696.4251,13.980972,0.584110321,0.665290552,0.473873468,0.572709313,0.593384166,0.843135049,0.341575326,-0.159127173,-0.215414413,-0.091977483,-0.14269687,-0.183745579,-0.260976426,-0.093461206
10596,C22 H31 N5 O6,Glu Trp Lys Esi+13.770016,478.2548,13.770016,0.752023695,0.428093737,1.025767083,0.598223362,0.977060367,0.59221789,0.802282661,1.00505533,0.562531235,1.532978812,0.672800732,1.496105986,0.76801842,1.157881759
10597,C18 H37 N O3,Dehydrophytosphingosine,315.2761,10.232994,1.579990219,1.700059551,1.356541514,1.723680993,1.371510065,1.687663734,1.496799432,-0.628817289,-0.713364553,-0.527953887,-0.674482491,-0.546846436,-0.667223972,-0.604055086
10598,C30 H54 O5,C30 H54 O5 Esi+15.2670355,494.3966,15.2670355,1.321072829,1.379616583,1.120566061,1.386037448,1.154948423,1.325373517,1.269550722,-0.958682243,-1.119451761,-0.766887028,-0.947635956,-0.991771654,-0.903760618,-0.994092238
10599,C23 H23 N O7,Bisacodyl diphenol glucuronide Esi+10.818023,424.1422,10.818023,0.318980058,0.471293093,0.02177097,0.426573553,0.000441043,0.274170242,0.247316856,-0.285088688,-0.450504826,-0.087750137,-0.478819327,-0.019270606,-0.3519937,-0.241952562
10600,C28 H57 N O,C28 H57 N O,423.4435,13.743967,1.176276466,1.407924824,0.837322146,1.123115785,1.286345836,1.486482829,1.088511871,-0.436162558,-0.570656853,-0.275713224,-0.411928573,-0.44988477,-0.526044932,-0.378212081
10601,C31 H44 O7,Milbemectin Esi+14.604003 :1,550.2917,14.604003,0.262378556,0.055240299,0.629291979,0.202418004,0.351775119,0.165319806,0.339394059,0.399127206,0.055334052,0.809266408,0.36331845,0.450297432,0.230361428,0.507936721
10602,C23 H41 Cl N O6 S,C23 H41 Cl N O6 S,494.2338,5.2969975,0.18603163,0.2213014,0.0534992,0.311383722,0.075078741,0.460931182,0.09936319,0.18305147,0.330551185,0.007086898,0.332000791,-0.028442939,0.392462423,0.048036514
10603,C35 H66 N8 O,C35 H66 N8 O,614.536,7.6779857,1.266902568,1.354449751,1.345911199,1.548514976,1.2260832,1.404409485,1.334668998,0.447441504,0.499551772,0.385274869,0.487372739,0.381636384,0.450610275,0.445398481
10604,C27 H42 N O7 P,p-Hydroxyfosinoprilat,545.2496,12.039,0.737705905,0.579326642,1.031189691,1.081033286,0.498537506,0.798728599,0.777847128,0.232551551,0.178538372,0.296988325,0.299822766,0.14598562,0.22813499,0.235399071
10605,C51 H93 O13 P,"PI(22:2(13Z,16Z)/20:1(11Z))",943.6335,14.758034,0.823900473,0.887229866,0.758053403,0.847835708,0.879367608,0.7556199,0.890317313,-0.74488999,-0.791897458,-0.688810906,-0.631484154,-0.931297999,-0.654077614,-0.803440075
10606,C29 H48 O7,"3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid Esi+14.63402 :1",508.3324,14.63402,0.450084987,0.278507216,0.730257013,0.300776139,0.601828204,0.410840737,0.516451982,0.338627708,0.259001797,0.433620022,0.301538246,0.380770192,0.31386445,0.354593492
10607,C43 H65 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",762.4172,13.85797,1.375341857,1.710480372,1.300587982,1.225460846,1.605497844,1.519494561,1.471131293,1.118689909,1.271331438,0.936591243,1.115648067,1.08389006,1.124356166,1.115036665
10608,C31 H59 Cl N O3,C31 H59 Cl N O3 Esi+15.700983,528.4096,15.700983,0.126062978,0.116889494,0.055016056,0.186798924,0.032160642,0.163938868,0.211219802,-0.082879454,-0.120414056,-0.038101333,-0.105461988,-0.057508674,0.126687037,-0.217994692
10609,C47 H81 O8 P,"PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)",804.5742,14.49803,0.814228512,0.927279415,0.665999421,0.921591803,0.64250519,0.800743532,0.752213616,-0.681556373,-0.821986289,-0.514025948,-0.683356681,-0.697264622,-0.619168613,-0.721780061
10610,C15 H16 N2 O3,"(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol",272.1225,7.2259893,1.261447233,1.336308605,1.173093727,1.277701969,1.303007931,1.390056735,1.248359185,0.576123731,0.581161676,0.57011355,0.568819514,0.581885842,0.58472792,0.570576293
10611,C35 H66 N13 O2 P,C35 H66 N13 O2 P Esi+14.43602,731.5187,14.43602,0.615204418,0.599113923,0.53878787,0.821932342,0.312102135,0.563202959,0.579107923,-0.650072216,-0.688530279,-0.604192421,-0.747552446,-0.537614634,-0.548958532,-0.715263933
10612,C13 N O21 P,C13 N O21 P Esi+14.079032 :1,536.8708,14.079032,1.569419676,1.743589844,1.478305149,1.684005729,1.513144016,1.850723512,1.513337128,0.959833902,1.056240065,0.84482304,1.000709382,0.892699423,1.073229036,0.886723881
10613,C17 H26 N4 O6,Lys-Lys-OH Esi+14.574981,381.1769,14.574981,1.952421764,1.903737787,1.610395785,1.873488893,1.722119958,1.684511946,1.861901123,-1.146336703,-1.199599835,-1.082794721,-1.130210346,-1.167093259,-1.132876553,-1.155014958
10614,C9 H24 N6 O2 S,C9 H24 N6 O2 S,280.1639,9.506987,1.265653388,1.187572287,1.26722496,1.179074282,1.284764525,1.101401612,1.292108572,1.336563121,1.214505654,1.482175537,1.232237094,1.447110541,1.23403453,1.402667081
10615,C14 H42 N12 O2 P,C14 H42 N12 O2 P,441.3293,8.375,1.403079951,1.429241382,1.238510555,1.28594489,1.530713159,1.479335003,1.344386991,-0.669251096,-0.693142201,-0.640749427,-0.681715295,-0.65804393,-0.745164255,-0.620307086
10616,C36 H36 N4 O8,Dehydroisocoproporphyrin Esi+9.161989,669.2846,9.161989,0.674714598,0.679571503,0.542706875,0.764526426,0.316724009,0.74374126,0.518426516,-0.502065545,-0.609362541,-0.374062112,-0.673467598,-0.278180884,-0.73791097,-0.35000731
10617,C21 H33 N14 O S5,C21 H33 N14 O S5,657.1573,9.969978,0.670245632,0.616224858,0.712862563,0.827685284,0.526600624,0.848320926,0.538441145,0.477691401,0.474136496,0.48193234,0.527830852,0.403135165,0.569817089,0.418294576
10618,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+7.224984 :2,228.1364,7.224984,0.04982044,0.087733563,0.171543078,0.065011296,0.088339654,0.261623923,0.306022758,0.092479119,-0.041632204,0.252471575,-0.006250803,0.212218655,-0.160480977,0.255571813
10619,C28 H41 N3 O2,Teleocidin B-1 Esi+13.592026,473.2995,13.592026,1.156972114,0.782126561,1.534675369,1.050413663,1.227221878,0.866340786,1.301539286,2.309870848,1.522558124,3.249121114,2.027811706,2.669606994,1.651099625,2.734604925
10620,C21 H35 N8 O4,C21 H35 N8 O4 Esi+10.0,462.3152,10,0.82090338,0.576079835,1.012112144,0.67672643,0.870396884,0.780331803,0.774166313,0.711531971,0.549606352,0.904706394,0.68106424,0.760611589,0.720679195,0.705634419
10621,C28 H52 O4,2-Hydroxy-24-keto-octacosanolide Esi+15.975036,452.3867,15.975036,0.781352295,0.748654193,0.767337805,0.713442792,0.853061185,0.698464425,0.776823607,-0.582709267,-0.658316581,-0.492511068,-0.545935445,-0.655776519,-0.582285499,-0.582982486
10622,C33 H60 N6 O4,C33 H60 N6 O4 Esi+16.229002,604.4654,16.229002,0.718124003,0.825891598,0.54567761,0.668702462,0.837847178,0.567327021,0.725027413,-0.478688539,-0.666833975,-0.254234335,-0.392680354,-0.569207345,-0.418646136,-0.517400089
10623,C25 N O10 P S5,C25 N O10 P S5 Esi+13.24397,664.7886,13.24397,1.095372702,1.078550685,1.01722406,1.120585738,0.808875535,0.979976552,1.048755221,-0.456511324,-0.511798538,-0.390554648,-0.472987327,-0.445452408,-0.420257316,-0.479885619
10624,C17 H29 N O4,C17 H29 N O4 Esi+7.786989 :1,311.2092,7.786989,0.07010598,0.161462155,0.108287248,0.044213972,0.072431928,0.181330264,0.042646291,0.000688781,0.025755214,-0.029215033,0.0406408,-0.061772036,-0.01831156,0.012939002
10625,C32 H42 O16,Bruceoside A Esi+11.909008,682.2536,11.909008,0.259787035,0.169750474,0.251071111,0.275649693,0.033458808,0.349254258,0.183672775,0.236213792,0.221421077,0.253861242,0.327708314,0.078442444,0.326435725,0.178044388
10626,C23 H38 N15,C23 H38 N15,524.338,14.594975,0.259774099,0.206830208,0.421044799,0.346049191,0.208118226,0.475888491,0.228833239,0.238730474,0.197026749,0.288482286,0.283734818,0.178640338,0.331953802,0.17862596
10627,C22 H29 D8 N O2,Arachidonoyl Ethanolamide-d8,377.314,15.059022,1.254955349,1.605400301,0.587996409,1.22241747,1.073166076,1.283867896,1.147010187,-0.672623076,-0.901685159,-0.399356029,-0.665799341,-0.66209556,-0.741189895,-0.628415521
10628,C19 H36 O5,"1,2-Dioctanoyl-sn-glycerol Esi+12.53802",366.2381,12.53802,0.284124305,0.318288133,0.302764674,0.265324551,0.527007224,0.441613784,0.202058942,-0.105312016,-0.109356471,-0.100487052,-0.046239657,-0.208636471,-0.200350991,-0.044036887
10629,C22 H26 O4,Acetylsalvipisone,376.1659,12.529033,1.343396593,1.262961297,1.374073119,1.066054088,1.576871653,1.246574379,1.356755516,-0.472794542,-0.510075543,-0.428318962,-0.385091892,-0.583579003,-0.518873627,-0.443085659
10630,C17 H25 Cl O2,Panaxydol chlorohydrine Esi+7.31701,296.1556,7.31701,0.658102194,0.458408191,0.816238471,0.572484823,0.600342832,0.853339403,0.472263371,0.3199585,0.264702825,0.38587755,0.331511296,0.29635027,0.444709116,0.239527182
10631,C24 H30 O7,Mammea E/BB Esi+12.281005,452.1821,12.281005,1.574797877,1.272251189,1.871858372,1.423104861,1.685168077,1.400001715,1.660205324,1.440432977,1.225158496,1.697251657,1.306698732,1.620593304,1.298430966,1.531986906
10632,C29 H46 O4,"2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone Esi+15.196029",458.3421,15.196029,1.634030895,1.604241297,1.57489226,1.637853308,1.747669749,1.65292882,1.653790827,-0.912394968,-0.938504966,-0.881246199,-0.894118272,-0.954310389,-0.882004566,-0.93198878
10633,C37 H66 N O8 P,"PE(20:4(5Z,8Z,11Z,14Z)/12:0)",700.4762,16.042974,1.529246723,1.311199656,1.793557743,1.600099349,1.381789342,1.429187951,1.51032164,1.089901721,0.941872501,1.266497983,1.121967957,1.032017475,1.069640178,1.102965084
10634,C21 H40 N O4,cis-5-Tetradecenoylcarnitine Esi+11.044997,369.2879,11.044997,0.345176836,0.307886557,0.453108115,0.390699916,0.406323667,0.452709584,0.387886806,0.329000558,0.31865039,0.341348127,0.349294488,0.301136435,0.373001842,0.300631309
10635,C21 H33 F O5,9a-Fluorotetrahydrocortisol Esi+5.1979985 :1,401.262,5.1979985,0.091684472,0.008397423,0.336476806,0.098845549,0.262699839,0.057247161,0.274075939,-0.089014674,0.002504878,-0.198195894,-0.041491956,-0.17170929,0.050444219,-0.17892896
10636,C44 H11 N6 O12,C44 H11 N6 O12,815.0433,13.759019,1.488485418,1.460632716,1.448428154,1.394971407,1.506953488,1.388847955,1.526908327,0.961327269,0.999350295,0.915966467,0.951629424,0.958416455,0.967365674,0.957434087
10637,C20 H35 N8,C20 H35 N8 Esi+10.118001,387.2978,10.118001,0.240680385,0.216009373,0.260613193,0.183654966,0.23827435,0.314793559,0.253138652,0.170677242,0.207972479,0.12618468,0.236571859,0.076504371,0.263817675,0.110626174
10638,C33 H54 O7,Cholesterol glucuronide Esi+4.357989,584.3666,4.357989,1.329605147,1.442640106,1.277015585,1.22808494,1.592519807,1.469091711,1.290020102,0.578186618,0.590239756,0.563807435,0.556322352,0.623804402,0.648321774,0.532967899
10639,C22 H43 N O2,"Anandamide (20:l, n-9) Esi+14.500981",353.329,14.500981,1.357734914,1.527132655,0.948274576,1.339494372,1.278660516,1.465259158,1.233085354,-0.76173255,-0.955555692,-0.530504943,-0.740341928,-0.794017282,-0.830466845,-0.717417018
10640,C26 H27 Cl N2 O,C26 H27 Cl N2 O Esi+6.2760005,418.1808,6.2760005,0.713185142,0.476525563,0.942335806,0.551068303,0.886666642,0.714541115,0.677705115,-0.314987287,-0.204476983,-0.446824141,-0.278364047,-0.383477122,-0.329883096,-0.30538341
10641,C13 H16 O6,Idebenone Metabolite (QS-4),267.0787,6.349985,1.400687295,1.206344535,1.455408808,1.238682831,1.416488545,1.111774017,1.463010548,-0.67144548,-0.62809625,-0.72316035,-0.582370785,-0.7992009,-0.61638601,-0.706944348
10642,C22 H32 O9,3'-Hydroxy-HT2 toxin Esi+8.863015,440.202,8.863015,1.115669212,1.21771876,0.960233406,1.158347637,0.962274228,1.266493863,0.921202088,1.398067129,1.502885327,1.273020857,1.442314898,1.281776677,1.616886723,1.256986075
10643,C43 H70 N17 O4 P,C43 H70 N17 O4 P,919.5554,13.788017,0.367132361,0.382282597,0.285206142,0.152643985,0.619131784,0.157541039,0.504126891,-0.205004027,-0.242775381,-0.159943464,-0.066308908,-0.435509803,-0.063152169,-0.296461146
10644,C29 H58 O S2,C29 H58 O S2 Esi+14.114012,486.3903,14.114012,1.315489319,1.313276815,1.199569748,1.302849049,1.26950381,1.427277932,1.179004115,-0.996907556,-1.137978551,-0.828612333,-1.053319196,-0.954157853,-1.150932624,-0.897601919
10645,C15 H33 N,n-Pentadecylamine Esi+10.343995,227.2609,10.343995,1.678879037,1.662666025,1.90826487,1.716662761,1.937636676,1.490882553,1.941497405,0.944720677,0.86843934,1.035722974,0.855938358,1.09123434,0.816207931,1.027577579
10646,C22 H45 N O2,Eicosanoyl-EA Esi+12.236017,355.3442,12.236017,0.231096012,0.390049673,0.060267645,0.289292691,0.241312742,0.171212668,0.290910325,0.115397245,0.192618741,0.023273356,0.132700445,0.110485215,0.029946105,0.170490743
10647,C35 H75 N24 O3 P,C35 H75 N24 O3 P,910.6151,13.987042,1.356084981,1.300724281,1.435090043,1.292141493,1.382183005,1.435641813,1.335512496,0.937971509,0.992192099,0.873287298,0.952629484,0.889467447,1.069754394,0.853006228
10648,C32 H53 N5 P S,C32 H53 N5 P S,570.3791,13.468995,0.336622545,0.356071606,0.262267871,0.53985895,0.110307557,0.373279829,0.263583616,-0.306286927,-0.270454325,-0.349034593,-0.399593572,-0.185866648,-0.316128815,-0.2999415
10649,C43 H77 N O8 P,"PC(20:4(5Z,8Z,11Z,14Z)/15:1(9Z)) Esi+13.506033",743.5339,13.506033,0.042117877,0.01291973,0.148700301,0.012758211,0.139803833,0.082935679,0.133119964,0.090920997,0.060694601,0.126980556,0.091846735,0.065997284,0.090804821,0.090995899
10650,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.073981,511.3274,9.073981,0.959432235,0.971142278,0.869092867,1.04319159,0.756745325,0.875870154,0.927781214,-0.592361474,-0.680664466,-0.487017553,-0.69925339,-0.457290844,-0.660038737,-0.548727449
10651,C43 H50 N4 O16,Precorrin 3A Esi+10.375,900.3055,10.375,0.116867012,0.207796178,0.039376115,0.270854392,0.051183112,0.010104332,0.131136062,0.05244733,0.001136876,0.113659803,0.021248881,0.057971191,0.126690739,0.00457987
10652,C26 H44 O4,"3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one",420.3269,14.575982,1.711559049,1.873044839,1.48231817,1.736482417,1.710571491,2.024359839,1.640521366,-1.342538887,-1.530845822,-1.117892017,-1.344161259,-1.31585722,-1.472554203,-1.258713223
10653,C29 H39 N9 O21 P S2,C29 H39 N9 O21 P S2,944.1442,15.214046,0.946143121,1.169400157,0.291874329,0.990400788,0.728916882,1.126731211,0.728778042,-0.27039808,-0.376358779,-0.143988824,-0.297750319,-0.231903169,-0.352716684,-0.217324243
10654,C20 H38 O,"9R,10S-Epoxy-6Z-eicosene Esi+11.771978",311.3183,11.771978,0.475570183,0.15823936,0.958509739,0.537223325,0.487890523,0.324664557,0.652724794,0.105626766,0.026025395,0.200589805,0.110591519,0.117519716,0.054788067,0.138404348
10655,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+16.082027 :1",565.4696,16.082027,0.508473221,0.382573768,0.777719205,0.568854504,0.459568558,0.676396667,0.467983775,0.495403348,0.394909161,0.61529115,0.537232242,0.424935892,0.560895877,0.453177902
10656,C48 H80 N21 P,C48 H80 N21 P Esi+12.981997,981.6603,12.981997,0.520194145,0.570475098,0.330228413,0.476087216,0.348072744,0.285261571,0.552170119,-0.495759844,-0.634696382,-0.330010991,-0.477647793,-0.563784258,-0.309624868,-0.61576792
10657,C27 H41 N3 O7,Vignatic acid B Esi+14.095964,518.2883,14.095964,0.235157957,0.430983523,0.044042705,0.258192934,0.245546502,0.131383406,0.279417425,-0.200369986,-0.340005064,-0.033787787,-0.220482357,-0.204591605,-0.140311277,-0.239092048
10658,C40 H49 N5 O6,Jubanine A Esi+12.501973,694.3541,12.501973,0.272459363,0.369468138,0.052306039,0.184487628,0.23931294,0.217152698,0.191287819,-0.208313422,-0.392387434,0.011283645,-0.200960341,-0.240802916,-0.296215833,-0.151639498
10659,C16 H21 N5 O4,C16 H21 N5 O4 Esi+9.824976,347.1786,9.824976,0.339133135,0.206965223,0.495139742,0.262589332,0.385504869,0.410510396,0.300343366,0.206119991,0.141623997,0.283062581,0.19205492,0.23210613,0.247597575,0.179377865
10660,C13 H22 O3,"4,5-Dihydrovomifoliol",226.1541,7.2729864,1.108295544,0.931743941,1.135824381,1.019197458,1.115298077,1.068795878,1.07358231,1.181755435,0.946128357,1.462854405,1.120869027,1.277737368,1.127334194,1.216842815
10661,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+16.253967",404.3645,16.253967,1.894998249,1.889951314,1.739616589,1.817263377,1.846577674,1.791796624,1.854540364,-1.359260261,-1.430622902,-1.274125883,-1.358837762,-1.36013466,-1.267167249,-1.418636019
10662,C15 H26 N2 O,Retamine Esi+8.331025,250.2043,8.331025,0.558714711,0.840239794,0.152385666,0.776495854,0.120499913,1.222284767,0.118999365,-0.215336846,-0.307836719,-0.10498612,-0.336426001,-0.03742186,-0.433834924,-0.074463085
10663,C16 H25 N S,Axisothiocyanate 3,280.2015,9.150994,0.370919027,0.256854474,0.512435026,0.219948822,0.614053254,0.054153143,0.671491169,0.143621195,0.124515469,0.166413991,0.036492857,0.286047091,-0.103015732,0.302637108
10664,C14 H26 N6 O5,Ser Arg Pro Esi+6.24699,358.2004,6.24699,1.066284284,0.793583739,1.398618039,0.909794677,1.236170518,0.880067176,1.163834392,-0.724106084,-0.520056531,-0.967533622,-0.606832238,-0.909861378,-0.567773509,-0.824899455
10665,C44 H88 N O9 P,PS(O-16:0/22:0) Esi+15.246017,827.5933,15.246017,1.607943792,1.850097601,1.149818203,1.633307015,1.495772924,1.877852347,1.373567815,-0.792001184,-0.972607922,-0.576540514,-0.817265858,-0.741525717,-0.923768029,-0.707046244
10666,C18 H37 N11 O3 P,C18 H37 N11 O3 P,486.2838,10.307997,0.61909027,0.685444843,0.446917925,0.535353804,0.548952042,0.814706389,0.471494477,0.491740597,0.591202411,0.373084398,0.555877339,0.381028947,0.733618496,0.335793004
10667,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+9.816993",356.218,9.816993,0.039590231,0.183679045,0.070871089,0.039342298,0.050290991,0.284337363,0.048981337,0.067109692,0.145005141,-0.025818211,0.102020425,0.000726677,0.166234669,0.003200168
10668,C27 H43 N O2,5alpha-Tomatidan-3-one,412.3158,14.985042,0.897689027,0.837213812,0.922225175,0.974599834,0.757451979,0.777854028,0.922786725,0.577327537,0.566584949,0.590143257,0.614567164,0.51515377,0.549016069,0.595580984
10669,C17 H45 Cl N8 O8 P S5,C17 H45 Cl N8 O8 P S5,714.1547,12.910985,0.594304895,0.56316835,0.585439893,0.648231346,0.396330854,0.501124789,0.556359356,-0.161789038,-0.167595365,-0.154862191,-0.144787286,-0.206435378,-0.109718142,-0.195361063
10670,C29 H43 N O4,17-phenyl trinor PGF2? cyclohexyl amide Esi+15.907971,469.3202,15.907971,2.180297832,2.285776125,1.999373937,2.192860106,2.181663796,2.258612693,2.1374038,-0.322269314,-0.365945349,-0.270164571,-0.31953633,-0.326479142,-0.342053027,-0.309514025
10671,C28 H40 O4,Bolegrevilol Esi+8.146981,457.3246,8.146981,0.487287084,0.495622476,0.412241246,0.614910206,0.189696682,0.852240754,0.171914167,-0.548592665,-0.570795836,-0.522104672,-0.721720191,-0.304307343,-0.831075774,-0.366465397
10672,C26 H33 F2 N7 O4,Tetrahydroxyalmitrine,562.2762,12.977029,0.603893347,0.646874402,0.405622,0.439753258,0.648514662,0.494095749,0.54595305,-0.372888526,-0.457016107,-0.272525798,-0.277465443,-0.516687507,-0.398226873,-0.35655196
10673,C15 H24 N6 O3,C15 H24 N6 O3,336.1899,9.629005,0.74857941,0.637154644,0.865806214,0.782859723,0.615945928,0.80650911,0.700564634,0.491224517,0.428458284,0.566103532,0.535900962,0.415267072,0.579148661,0.434536582
10674,C28 H48 O4,6-Deoxodolichosterone Esi+14.094978,448.3511,14.094978,0.608472147,0.420106306,0.82384747,0.527230727,0.712316058,0.623046064,0.57538244,0.380229851,0.271192162,0.510309901,0.314437577,0.470824762,0.39533153,0.370493242
10675,C42 H80 N O9 P,PS(P-18:0/18:1(9Z)) Esi+12.96198,773.5463,12.96198,0.273125544,0.215096456,0.258752383,0.237838945,0.185395884,0.137758407,0.311806221,-0.163700547,-0.132270769,-0.201195721,-0.120643494,-0.217933608,-0.096160587,-0.207246047
10676,C19 H32 O6,"5,7-Megastigmadien-9-ol glucoside Esi+13.102032",356.2199,13.102032,0.618089958,0.231651494,0.985826595,0.436769123,0.78855089,0.159003474,0.865696493,0.326514106,0.118340131,0.574862006,0.231730429,0.476299953,0.009699158,0.530776375
10677,C40 H79 N2 O7 P,PE-Cer(d14:1(4E)/24:1(15Z)(2OH)),729.5573,14.545985,0.657950863,0.804595313,0.379946908,0.814109981,0.408763103,0.694355271,0.595527511,-0.449686063,-0.571547855,-0.304307084,-0.504713232,-0.379990719,-0.423541314,-0.466542547
10678,C21 H32 O5,"Vanillin 3-(L-menthoxy)propane-1,2-diol acetal Esi+11.248022",364.2223,11.248022,0.641967012,0.757395145,0.364059695,0.71301449,0.295850544,0.667399098,0.535767075,0.290376385,0.35732435,0.210508636,0.374698677,0.174176967,0.343482052,0.256137204
10679,C13 H34 Cl N6 O S,C13 H34 Cl N6 O S,357.22,9.821024,0.351175781,0.397672208,0.166056379,0.360140519,0.296742736,0.324143518,0.313617776,-0.161100891,-0.187750001,-0.12930897,-0.131100326,-0.198663789,-0.133286478,-0.179033868
10680,C37 H65 N O14,Erythromycin E Esi+14.714034,764.4696,14.714034,0.172176037,0.075264567,0.245984652,0.139406065,0.155485932,0.44230253,0.025957435,0.163829423,0.131850072,0.201980227,0.178145714,0.12269318,0.412204302,0.003692987
10681,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.923",414.2251,9.923,0.36306022,0.158328092,0.636864564,0.245759086,0.582727747,0.155162682,0.510606954,0.577395591,0.304488819,0.902968584,0.428411954,0.806635324,0.345479997,0.72692012
10682,C11 H21 N14 P,C11 H21 N14 P,380.1809,7.203987,0.394233088,0.16603476,0.557080856,0.230928242,0.483182848,0.015711968,0.509393423,-0.216151016,-0.121122957,-0.329517824,-0.11073637,-0.358171357,0.057960243,-0.392880644
10683,C18 H35 N3 O4,Ile Ile Ile,356.2539,12.868971,0.278538524,0.103291574,0.595172297,0.285469928,0.355870509,0.28678005,0.369964348,0.306020924,0.047193762,0.614797188,0.318800394,0.348315647,0.241850133,0.347394198
10684,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+8.957007,533.3095,8.957007,0.397821849,0.346391859,0.442281402,0.551452037,0.158335332,0.185118735,0.467189799,-0.156686247,-0.180387267,-0.128411345,-0.299750765,0.026196909,-0.11614732,-0.182823186
10685,<none>,<none> Esi+14.62003,896.6499,14.62003,1.764152664,1.941425438,1.632130635,1.849593467,1.758979003,2.003969492,1.673967054,-2.385865461,-2.811296432,-1.878333776,-2.402025289,-2.32614154,-2.540638347,-2.286077679
10686,C42 H65 N28 P,C42 H65 N28 P,992.5682,14.303971,0.180594152,0.029969461,0.342652882,0.26531466,0.011681836,0.243732384,0.094320049,0.301868673,0.224416408,0.394267867,0.446988079,0.072468028,0.424902482,0.222544244
10687,C16 H31 N5 O5 S,Met Gln Lys Esi+10.525,422.2266,10.525,1.410470506,1.430837427,1.382858121,1.325228364,1.495294485,1.499415221,1.350044423,1.862172839,1.853884933,1.872060166,1.779594779,1.952386324,1.923604351,1.82256568
10688,C34 H59 Cl N6 O3 S,C34 H59 Cl N6 O3 S,666.4055,11.06201,0.410195621,0.485303013,0.236813696,0.435419908,0.317927668,0.363566216,0.387688962,-0.19122718,-0.239693582,-0.133407614,-0.173921868,-0.195352577,-0.155499091,-0.214262396
10689,C26 H45 N20 P,C26 H45 N20 P,668.3858,11.587001,1.004729972,0.963470684,1.010616984,0.934640142,1.055585026,0.937593461,1.047663111,0.812426029,0.797728816,0.829959547,0.833032044,0.815498046,0.805643533,0.816798954
10690,C32 H60 O19,Hypromellose Esi+5.3160005,748.3753,5.3160005,1.015586763,1.141028796,0.697833576,0.963102775,1.035780659,0.756962703,1.055261265,1.11258734,1.220704733,0.983605187,1.136507301,1.151895089,0.929021831,1.230938786
10691,C22 H34 O8,Cinnzeylanine Esi+8.662988,426.2211,8.662988,0.363914514,0.449264308,0.338265776,0.357027007,0.325592966,0.629839224,0.290867737,0.443950222,0.526102706,0.34594375,0.485529243,0.362729694,0.631900794,0.322771564
10692,C43 H71 Cl N4 O2 S,C43 H71 Cl N4 O2 S,742.4994,13.664007,0.979182864,0.960492955,0.939655387,0.905678232,0.984408874,0.962685636,0.982483221,0.6573543,0.716715444,0.586537495,0.657658246,0.642857626,0.670015011,0.649191473
10693,C36 H64 O6,C36 H64 O6 Esi+15.125,592.4696,15.125,1.477286012,1.634816011,1.17591434,1.492088238,1.364312232,1.481914297,1.411102989,-1.281800824,-1.609564989,-0.890783925,-1.31518847,-1.241247748,-1.406940647,-1.201118569
10694,C18 H30 O3,"3,4-Dimethyl-5-pentyl-2-furanheptanoic acid Esi+12.116967",294.2189,12.116967,0.139406864,0.093766455,0.237701779,0.390368733,0.150768117,0.140517374,0.121160761,0.101166752,-0.004088802,0.226734781,0.241390441,-0.043096976,0.031096678,0.146343509
10695,C26 H39 N3 O3,N-arachidonoyl histidine Esi+9.061011,441.3009,9.061011,0.257397444,0.041456002,0.619246903,0.194634339,0.35948338,0.167877661,0.5291919,-0.27701584,-0.073396653,-0.519929957,-0.245486722,-0.3306168,0.046968932,-0.485900758
10696,C29 H48 O3,Schleicherastatin 5 Esi+15.007026 :1,444.3587,15.007026,1.321500185,1.492184952,1.077033689,1.310508905,1.196059021,1.391001905,1.238908579,-1.016851324,-1.199617238,-0.798814794,-1.072650561,-0.933756454,-1.144799633,-0.934358335
10697,C22 H24 O7,Italipyrone,422.1365,8.707009,0.61149839,0.566256096,0.732834039,0.354000286,1.091238032,0.421737445,0.806891058,0.33977908,0.29167982,0.397160652,0.198016013,0.534455537,0.217200029,0.41881031
10698,C44 H69 N O13,Tacrolimus metabolite M-IV,818.4698,14.116962,0.521979965,0.568710603,0.414827689,0.668200444,0.33607893,0.71235865,0.410044122,0.304418057,0.356151989,0.242700384,0.397681343,0.147939516,0.417183447,0.231714056
10699,C14 H24 O4,Monomenthyl succinate Esi+8.566012,256.1699,8.566012,1.544292151,1.556728272,1.360476306,1.401940063,1.57086255,1.33731342,1.594732432,2.574351938,2.708660227,2.414124507,2.307390892,2.927749888,2.309355669,2.745204797
10700,C24 H46 N7 O,C24 H46 N7 O Esi+15.543961,448.3659,15.543961,0.412024558,0.214020088,0.722797074,0.436229983,0.416157502,0.375935635,0.501383276,0.355867611,0.245805768,0.48716946,0.37728702,0.314985317,0.325858941,0.375215307
10701,C28 H49 N12,C28 H49 N12,553.4247,14.751971,1.969980314,2.171354365,1.689997404,1.937532887,1.965275373,2.122273816,1.887638268,-1.219648488,-1.448543901,-0.946580275,-1.220058553,-1.20776789,-1.217995995,-1.220713911
10702,C17 H26 O5,Valdiate Esi+10.43799,310.1786,10.43799,1.996115709,1.941496257,2.2677178,1.890411588,2.335011612,1.837073251,2.234321977,2.19116472,1.903581866,2.53424602,1.864896532,2.622598889,1.952776715,2.34486225
10703,C19 H31 N O4,C19 H31 N O4 Esi+8.31201,337.2233,8.31201,0.314039818,0.215633976,0.371861445,0.006494253,0.749246061,0.15488871,0.569020026,0.331141689,0.343222468,0.316729531,0.145805826,0.61044599,0.110298896,0.473527173
10704,C36 H54 O6,OH-Diaponeurosporene glucoside ester Esi+14.971975,582.3898,14.971975,0.120620808,0.275552546,0.336369821,0.054416515,0.129051598,0.124130532,0.118093454,0.043288366,-0.091702546,0.204330154,0.090777935,-0.031739864,0.091208267,0.01239264
10705,C35 H73 Cl3 N3 O3 P,C35 H73 Cl3 N3 O3 P,719.4469,13.059013,0.969695728,0.912715675,1.000435168,1.006523698,0.88874161,1.00016297,0.968768463,0.832821547,0.752686964,0.9284207,0.886595695,0.740576154,0.847773921,0.823181201
10706,C42 H73 O8 P,"PA(22:4(7Z,10Z,13Z,16Z)/17:1(9Z)) Esi+13.68799",758.498,13.68799,0.30050265,0.203626592,0.399431217,0.324922681,0.267442152,0.318728625,0.300373537,0.539782478,0.310748262,0.81301628,0.566500466,0.491297797,0.477491723,0.579943623
10707,C23 H48 N9 O3 P,C23 H48 N9 O3 P Esi+14.772966,529.3635,14.772966,0.296390988,0.559479759,0.01868856,0.373330648,0.360490576,0.333426599,0.292786078,-0.113745251,-0.289413175,0.095823502,-0.038166375,-0.217460814,-0.082910746,-0.133625392
10708,C19 H26 O6,Millefin Esi+10.834986,350.1718,10.834986,1.61583333,1.533844687,1.938890891,1.749081777,1.752960758,1.600320508,1.780119973,1.057597274,0.88476443,1.263783824,1.073168999,1.049937941,1.009107026,1.088860723
10709,C17 H32 N6 O4,Pro Ile Arg Esi+13.841009,384.2453,13.841009,1.185157735,0.919536593,1.572949071,1.080370506,1.40911916,1.176493374,1.25993632,0.859714685,0.721354699,1.024775719,0.835336733,0.900779957,0.823755679,0.88289878
10710,C35 H42 N4 O10,Hv-NCC-1 Esi+12.065991,677.2898,12.065991,0.762138057,0.673671094,0.810776368,0.775221136,0.617829873,0.695369882,0.677926898,-0.530034236,-0.526905556,-0.533766696,-0.672057773,-0.338647638,-0.648966778,-0.453354044
10711,C19 H31 N,"10Z,13Z,16Z-nonadecatrienenitrile",290.2718,10.983979,1.589602457,1.738701375,1.544634256,1.625953913,1.810562561,1.834671009,1.61795815,-0.524601357,-0.594861192,-0.440782607,-0.533092377,-0.518947286,-0.54871545,-0.509054112
10712,C28 H57 N8 O4,C28 H57 N8 O4 Esi+14.312989 :1,569.4498,14.312989,0.753002834,0.698866015,0.774933944,0.759289983,0.808932099,0.601237005,0.863940261,0.44910601,0.387975064,0.522034157,0.410576531,0.484464929,0.325146383,0.529027348
10713,C38 H61 N O8,Lansioside A Esi+8.925021,659.4446,8.925021,0.428806986,0.290443431,0.514842874,0.390564933,0.385980668,0.49829733,0.356867898,0.277374896,0.258812843,0.299519101,0.261124601,0.274812177,0.347802267,0.231967776
10714,C31 H40 N7 O4 P,C31 H40 N7 O4 P,603.2887,12.052983,1.35154681,1.449240547,1.280033309,1.481274739,1.175478037,1.389701185,1.29373047,-0.887814043,-0.954119822,-0.808712411,-1.041185035,-0.679925852,-0.985795576,-0.824641738
10715,C14 H28 O7,"(R)-1-O-b-D-glucopyranosyl-1,3-octanediol",325.2091,7.329986,0.79246454,0.615300941,1.050682676,0.868742269,0.720887297,0.711419939,0.816019313,-0.454630997,-0.309737905,-0.627485915,-0.422859984,-0.515342442,-0.342520371,-0.526912848
10716,C18 H24 N4 O,Granisetron Esi+8.586025,290.2105,8.586025,0.715758349,0.718055025,0.572612267,0.902108411,0.438261893,0.493137354,0.754467852,-0.369128614,-0.430538425,-0.295867787,-0.416905263,-0.295017256,-0.248302098,-0.447029921
10717,C16 H23 N3 O6,Thr Ser Phe Esi+7.642982,352.149,7.642982,0.08642427,0.095872455,0.279048116,0.021163191,0.210661248,0.030875892,0.158595645,-0.031386312,0.041144822,-0.117914683,0.044150213,-0.138533614,0.00546684,-0.055146897
10718,C33 H58 O6,Cholestanyl glucoside Esi+13.625,567.4487,13.625,0.728747773,1.088484053,0.386927704,0.867285807,0.58110504,1.171221835,0.528530123,-0.375580815,-0.533491636,-0.187195976,-0.422507878,-0.301756347,-0.52077601,-0.281968123
10719,C42 H68 O13,Saponin G Esi+14.083986,780.4708,14.083986,0.204260905,0.00914614,0.383503262,0.220536804,0.171510373,0.154538253,0.204874688,0.382027776,0.066057617,0.758974633,0.280313384,0.547836119,0.263509002,0.458441196
10720,C24 H34 O4 S,17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate Esi+6.6240144,418.2177,6.6240144,0.524057701,0.039917592,1.042373287,0.337767659,0.714152889,0.12939136,0.726870264,-0.35971477,0.0161812,-0.808152068,-0.193596237,-0.605112286,-0.070090603,-0.546446141
10721,C42 H47 N23 O3,C42 H47 N23 O3,921.4221,16.257027,0.838418067,0.773474771,0.724684153,0.752506208,0.792901948,0.363877804,1.015879705,-0.315277484,-0.314891055,-0.315738488,-0.307789618,-0.360593381,-0.182791003,-0.4006964
10722,C7 H11 N O2,C7 H11 N O2,141.0845,0.83000153,0.076981531,0.257661887,0.102388357,0.459449012,0.273524838,0.696393279,0.28522639,-0.053770275,-0.13483058,0.042933246,-0.189581283,0.127815361,-0.365777698,0.147392405
10723,C11 H21 O7 P,DHAP(8:0) Esi+6.8669796,148.052,6.8669796,0.548906987,0.435561165,0.620160465,0.441783598,0.652786346,0.363014514,0.606479935,0.334376753,0.248738206,0.436542037,0.272298486,0.401718817,0.250827857,0.388243804
10724,C26 H50 O3,3-oxohexacosanoic acid Esi+14.957017,432.3587,14.957017,1.550275795,1.653390461,1.21522732,1.530368666,1.351372718,1.537912587,1.423014847,-0.752055419,-0.897345245,-0.578727205,-0.80312195,-0.691258065,-0.800009001,-0.721137977
10725,C42 H89 Cl2 N6 O4 P S,C42 H89 Cl2 N6 O4 P S,874.5817,13.231992,0.826307132,0.668892405,1.119456015,0.860615326,0.856117563,0.783571624,0.924985978,0.411025721,0.381692584,0.446019639,0.420795094,0.381351474,0.405455871,0.414616809
10726,C18 H37 N O,Stearamide Esi+15.132027,283.2869,15.132027,2.272076434,2.344264094,2.149541447,2.312833725,2.293392374,2.326309166,2.21112401,-1.366852581,-1.518472742,-1.185972388,-1.349697539,-1.407376427,-1.385659863,-1.354726833
10727,C28 H50 O5,6?-Hydroxy-castasterone Esi+15.153023,466.3656,15.153023,1.555954846,1.767382869,1.273239267,1.634820787,1.45200909,1.693596597,1.454126299,-1.18786098,-1.436886142,-0.890778331,-1.141457085,-1.259099415,-1.221958906,-1.165876791
10728,C22 H30 O2 S,Farnesyl Thiosalicylic Acid Esi+8.943987,358.1976,8.943987,0.337756992,0.691557255,0.169807322,0.479769782,0.145223115,0.379950977,0.290912416,0.177997261,0.383531606,-0.067201608,0.275759885,0.069435546,0.245765801,0.134304386
10729,C13 H26 N4 O5,Ala Thr Lys,317.1835,7.3249836,1.583384062,1.607483143,1.449272187,1.409561868,1.703769628,1.578844025,1.50769551,-0.829321861,-0.808178343,-0.854545707,-0.74590357,-0.939775858,-0.781915916,-0.85988622
10730,C22 H31 N5 O6,Glu Trp Lys Esi+11.121991,478.2534,11.121991,0.041376313,0.098257301,0.035718013,0.079498118,0.047910655,0.494325383,0.215142552,0.087393809,0.064283401,0.114964119,0.206883301,-0.094275482,0.428164752,-0.132313773
10731,C39 H47 N5 O5,Jubanine C Esi+12.416014,664.3421,12.416014,0.10648539,0.172128183,0.024334105,0.20589009,0.518223637,0.259286966,0.302438187,-0.009467525,-0.031034077,0.016260993,0.190346136,-0.278521313,0.186054592,-0.135527837
10732,C19 H28 N20,C19 H28 N20 Esi+6.553986,536.2798,6.553986,0.377749554,0.02917964,0.84342947,0.227757365,0.609220125,0.027104356,0.614306761,-0.241021012,0.025467567,-0.558937212,-0.112914814,-0.441155291,0.040591318,-0.422586856
10733,C25 H26 O3,Maximaflavanone A Esi+5.3220115,374.1928,5.3220115,1.10782208,1.242937998,0.827235978,1.201282607,0.9544217,0.973855344,1.104787443,1.201629658,1.384783991,0.983129752,1.306039984,1.081567337,1.099234728,1.267647442
10734,C39 H74 N O9 P,PS(P-18:0/15:1(9Z)) Esi+14.425032,731.5218,14.425032,0.643580008,0.764097271,0.292015422,0.727240394,0.377120263,0.623865557,0.510255284,-0.426679841,-0.59707121,-0.223405926,-0.464095654,-0.364093664,-0.420906719,-0.430401985
10735,C26 H48 N4 O3 S,C26 H48 N4 O3 S,496.3531,15.257027,0.449307452,0.44947508,0.32640709,0.355353732,0.63439928,0.102023307,0.600163492,-0.186127396,-0.161333598,-0.215705961,-0.098026827,-0.31224502,-0.02344575,-0.291014246
10736,C20 H41 N13 O P,C20 H41 N13 O P Esi+14.406986,508.3236,14.406986,0.076430859,0.016561307,0.280509647,0.223727279,0.009763291,0.279973541,0.06856261,0.140238426,0.093913234,0.195503566,0.203426737,0.036197225,0.222024633,0.087507845
10737,C36 H62 O10,Notoginsenoside R9 Esi+13.979984 :1,654.4366,13.979984,1.264160078,1.275954341,1.126394275,0.995607523,1.428313239,0.949123731,1.435299428,0.956434872,1.026400762,0.872966792,0.859152665,1.07349402,0.845822755,1.027750579
10738,C42 H70 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z)) Esi+13.728023",747.4811,13.728023,0.474953262,0.56324559,0.428210336,0.378367564,0.653379613,0.810885534,0.380873229,0.369803611,0.41053969,0.321206184,0.364467093,0.402846327,0.642599508,0.193922047
10739,C21 H52 N20 O5,C21 H52 N20 O5,664.4405,7.159023,0.362391236,0.202665971,0.627401289,0.465571547,0.312959361,0.122589388,0.515703154,-0.174034793,-0.078315673,-0.288226024,-0.175384377,-0.190178063,-0.039063204,-0.261055949
10740,C20 H30 N7 O2,C20 H30 N7 O2,400.2445,10.038979,1.255783578,1.20156374,1.285472948,1.21920248,1.22756294,1.398346092,1.134990363,1.383633635,1.341652026,1.433716959,1.407747204,1.330781337,1.584934653,1.253847453
10741,C9 H12 O3,4-Ipomeanol Esi+4.8369956,168.0785,4.8369956,0.319746819,0.147501936,0.643182136,0.277169111,0.400308453,0.276842065,0.442372992,0.335630372,0.164281232,0.540046891,0.37228298,0.276110825,0.35166809,0.325290265
10742,C28 H44 N4 O4,Frangulanine Esi+16.280025,517.3821,16.280025,0.499134,0.600371393,0.359438804,0.633083329,0.33952471,0.632483869,0.366121423,-0.259945393,-0.417133552,-0.072422677,-0.307639304,-0.219644399,-0.418164353,-0.157935801
10743,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+9.637966 :2,870.5516,9.637966,0.481432782,0.650081174,0.276543335,0.453034834,0.346508248,0.735387469,0.3227034,0.269000486,0.367910244,0.151002881,0.332814909,0.157604511,0.455016904,0.149068849
10744,C19 H37 N14 O3 P,C19 H37 N14 O3 P,540.3043,9.970972,1.753356957,1.687065975,1.79099687,1.692510607,1.792641709,1.779105015,1.780129457,2.082123139,2.024579187,2.150772063,2.076103602,2.065583302,2.116930114,2.059681799
10745,C24 H40 N7 O2,C24 H40 N7 O2,458.3232,14.181956,0.188170318,0.404762317,0.165981874,0.359347472,0.075115652,0.33561128,0.021020387,-0.116364246,-0.263341413,0.058976935,-0.210436829,-0.000815385,-0.257676154,-0.025255254
10746,C25 H34 N17 O8 P,C25 H34 N17 O8 P,731.2489,6.3020015,2.158748909,2.068736441,2.198251848,2.091469035,2.254324808,2.081428856,2.187643149,1.494255717,1.566929801,1.40755681,1.392616874,1.623080744,1.504991017,1.487334274
10747,C42 H69 O10 P,"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) Esi+14.341004",764.4698,14.341004,1.285489434,1.184855398,1.175696029,1.248217122,1.110259062,1.343295093,1.133443007,0.887675028,0.910349829,0.860624388,0.943447453,0.802664113,1.033039404,0.793953259
10748,C26 H47 N O7 P,"PC(18:4(6Z,9Z,12Z,15Z)/0:0) Esi+11.750981",514.3134,11.750981,0.539192432,0.54045296,0.329654271,0.418106312,0.566090365,0.351799568,0.526102477,-0.544637934,-0.615942973,-0.459572275,-0.415977798,-0.722071601,-0.474032533,-0.590159838
10749,C16 H24 N6 O7,Gln Glu His Esi+7.9849873 :1,412.1708,7.9849873,1.310006913,1.342730302,1.26612457,1.158324789,1.434277226,1.456697847,1.226806119,1.012970535,1.122342443,0.882491767,0.88657063,1.14505087,1.155421713,0.921127012
10750,C27 H44 N7 O2,C27 H44 N7 O2,498.355,14.562011,0.154087852,0.330452785,0.210841847,0.063625234,0.155960116,0.166205119,0.008440343,-0.001891617,-0.236866707,0.278429543,0.043085611,-0.076140564,-0.0777971,0.047047445
10751,C43 H78 N O10 P,"PS(20:1(11Z)/17:2(9Z,12Z)) Esi+11.076002",799.5369,11.076002,0.471312539,0.385137735,0.46609327,0.561506149,0.347131008,0.216938808,0.573038333,-0.185547941,-0.168829619,-0.205492605,-0.18941558,-0.200379192,-0.061452143,-0.265557073
10752,C19 H32 O4,C19 H32 O4,324.2233,11.756984,1.831292837,1.662829863,2.06064655,1.779783856,2.01557699,1.672681799,1.983053327,1.764121183,1.564884109,2.001807517,1.625922842,1.944691745,1.589724532,1.876561128
10753,C19 H39 N8 O4 P,C19 H39 N8 O4 P Esi+10.969976,474.2825,10.969976,2.089157306,2.023315892,2.222238077,2.15210753,2.106971694,2.130356715,2.134055514,2.686407088,2.616287961,2.770057977,2.716067597,2.607274151,2.683031889,2.688583203
10754,C19 H37 N8 O3 P,C19 H37 N8 O3 P Esi+13.770016,456.2726,13.770016,1.499749722,1.325477739,1.979473058,1.416016585,2.049762106,1.546604576,1.754517174,3.057350584,2.217520841,4.059252734,2.209516786,4.307875692,2.207891472,3.60502817
10755,C46 H60 O7,"Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one Esi+13.541014",724.4357,13.541014,0.487401669,0.635055002,0.304431407,0.610735376,0.322824614,0.477601728,0.448810508,-0.294389645,-0.447232091,-0.112051288,-0.341525311,-0.231722156,-0.278486133,-0.304643225
10756,C23 H38 O9,[6]-Gingerdiol 5-O-beta-D-glucopyranoside Esi+8.61203,480.2337,8.61203,0.714719054,1.044699832,0.220678588,0.613491762,0.745550741,0.602049572,0.808453826,0.703471944,0.97719672,0.376923088,0.699639433,0.689626311,0.627746004,0.752295247
10757,C35 H54 O10,Digitoxigenin bisdigitoxoside,633.366,12.852031,0.015249578,0.333085172,0.61593469,0.164338092,0.061137794,0.157749345,0.126053082,0.053687807,-0.278011233,0.449398942,0.139728615,-0.018101867,-0.165725397,0.195151583
10758,C35 H43 Cl N2 O8,Cryptophycin 1 Esi+5.7969975,654.2737,5.7969975,1.773724411,1.659158798,1.716543206,1.538143058,1.96103359,1.577819559,1.799879914,1.421004811,1.426135553,1.414883926,1.235882399,1.702921869,1.353729283,1.464379822
10759,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.51801",350.3293,13.51801,0.965007996,1.077382299,0.589828882,0.836137002,0.907128633,1.02410945,0.784552415,-0.460921913,-0.593197105,-0.30311993,-0.436429742,-0.482130828,-0.554534075,-0.400566704
10760,C35 H40 N4 O3,Bonafousine Esi+11.089021,581.3342,11.089021,1.459593801,1.286900313,1.704602193,1.454375348,1.518765004,1.364650912,1.559707799,0.640883871,0.577106956,0.716968612,0.657783713,0.616822272,0.620395174,0.654093689
10761,C41 H58 O2,Okenone,582.4408,15.101023,0.798216481,0.95535706,0.523852538,0.834673911,0.652069146,0.8055942,0.689691336,-0.420189143,-0.487037224,-0.340440555,-0.405517771,-0.45063539,-0.429584392,-0.414131679
10762,C12 H22 S2,Dicyclohexyl disulfide Esi+5.324995 :1,230.1151,5.324995,0.269361829,0.036993626,0.587991173,0.077657065,0.305368547,0.040037335,0.382201649,0.194839048,0.003374923,0.423252391,0.145740269,0.237650728,0.052608477,0.286540337
10763,C27 H52 O5,DG(12:0/12:0/0:0)[iso2] Esi+14.149973,456.3806,14.149973,0.960537653,1.00728843,0.691420576,0.774661594,0.964020358,0.832830941,0.895696341,-0.604191356,-0.748781837,-0.431697449,-0.592754448,-0.622084078,-0.61281449,-0.598631705
10764,C28 H42 N3 O3,C28 H42 N3 O3,468.3215,15.085989,1.001598811,1.101410287,0.749250195,1.031199468,0.917602352,0.881527231,0.99748515,-0.329954825,-0.414981552,-0.228519431,-0.283336817,-0.399807353,-0.287421775,-0.357377449
10765,C32 H43 N5 O5,Dihydro-?-ergocryptine Esi+7.072014,577.3216,7.072014,0.128461345,0.158445713,0.085680957,0.085167623,0.254521702,0.089462739,0.164402194,-0.051986271,-0.024634298,-0.084616694,0.031793162,-0.194217013,0.009130252,-0.091390344
10766,C25 H54 N6 P,C25 H54 N6 P,469.4058,9.550023,0.826205718,0.976820305,0.654702274,0.941597072,0.763298336,0.930512725,0.757270977,-0.257205475,-0.32150091,-0.180502149,-0.251589519,-0.266619887,-0.282604626,-0.240829706
10767,C27 H38 O8,Lucidenic acid J,490.2571,11.676018,1.228080767,0.938744046,1.39002873,1.040332911,1.273997673,1.044343996,1.234402512,1.190961448,0.973155259,1.450800411,1.160041751,1.294487209,1.121050521,1.236035599
10768,C29 H55 N11 P,C29 H55 N11 P Esi+15.229003,586.4171,15.229003,0.09405579,0.155577196,0.16843203,0.000629571,0.072754351,0.081574414,0.053898821,0.068168899,-0.012273142,0.164134844,0.114605482,-0.000786108,0.006849122,0.107704019
10769,C21 H36 N2 O,C21 H36 N2 O Esi+11.906986,332.283,11.906986,1.973160223,2.245623,1.900617647,1.965315818,2.236315357,2.223556856,1.994508928,-0.813901263,-0.962013869,-0.637205522,-0.842033619,-0.762291934,-0.889099487,-0.765418198
10770,<none>,<none> Esi+11.072016,646.8706,11.072016,1.275464725,1.102031208,1.467614402,1.280132064,1.247047076,1.248455593,1.268340926,0.559128473,0.516378343,0.610128628,0.583613237,0.508763163,0.592428196,0.537658914
10771,C24 H32 N4 O4,Phe Phe Lys Esi+8.635008,440.2368,8.635008,1.230758157,1.298436695,1.085145689,1.205215495,1.268761187,1.151263117,1.324034012,1.41529585,1.580998424,1.217615587,1.302471067,1.540487485,1.371843125,1.443311423
10772,C36 H72 Cl N6 O,C36 H72 Cl N6 O,639.5428,16.364992,0.15479868,0.204761108,0.131471437,0.209272943,0.081834529,0.134112974,0.242062024,0.215543242,0.219272958,0.211093756,0.258462118,0.147955684,0.161378519,0.250465234
10773,C19 H51 N24 P,C19 H51 N24 P,646.4473,14.766028,1.141679616,0.941020825,1.104011659,1.102860016,0.933539098,1.057443252,1.011923551,-1.283861411,-1.199814824,-1.384127515,-1.241228685,-1.346246428,-1.237639886,-1.313662131
10774,C27 H44 N7 O20 P3 S,(3S)-3-Hydroxyadipyl-CoA,911.1578,14.756037,2.446159674,2.619370735,2.309722574,2.57237077,2.514016351,2.664113012,2.44302446,-1.510350546,-1.708678101,-1.273749253,-1.542960943,-1.450355859,-1.596006578,-1.455124947
10775,C15 H27 N5 O7,Glu Lys Asn Esi+5.2020144,406.2176,5.2020144,0.431415757,0.725828807,0.030638964,0.544237702,0.172646881,0.689047707,0.215180615,0.169994745,0.3276285,-0.018059559,0.246606686,0.046679275,0.352833559,0.052111826
10776,C21 H2 O20 P,C21 H2 O20 P Esi+10.020015,604.8881,10.020015,0.564773154,0.463489704,0.615530304,0.426329072,0.680154654,0.200628636,0.729470061,0.237660732,0.249970263,0.222975677,0.185597796,0.304956562,0.161742721,0.28660787
10777,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.378989,311.1514,11.378989,0.190546926,0.257363215,0.029739026,0.322716097,0.035781205,0.245303327,0.056612366,-0.093953652,-0.234689073,0.073941237,-0.083710904,-0.130088618,-0.125773725,-0.073438078
10778,C31 H63 N8 O P,C31 H63 N8 O P Esi+16.056948 :1,590.4731,16.056948,1.274483718,1.306140836,1.112237108,1.224415786,1.192714269,1.236320166,1.187435872,-1.149056124,-1.355387966,-0.902905858,-1.149158299,-1.16212949,-1.235973077,-1.093017563
10779,C27 H46 O2,5?-Cholestan-3?-ol-7-one,402.3486,14.616962,1.582098097,1.772817503,1.270646968,1.702777861,1.427406745,1.773645687,1.45374371,-0.979366696,-1.211685212,-0.702214783,-1.008280982,-0.964648468,-1.082982942,-0.912561485
10780,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione Esi+3.9749908",140.0829,3.9749908,0.303893337,0.183667597,0.333632154,0.411815794,0.178792471,0.566729858,0.024518727,-0.400717297,-0.157874494,-0.6904245,-0.479021251,-0.323112583,-0.649811566,-0.240117044
10781,C18 H32 O2,"9Z,12E-Octadecadienoic acid Esi+15.038032 :1",280.24,15.038032,1.618577739,1.706038281,1.371870217,1.592331911,1.5232819,1.538349646,1.576220681,-1.308111652,-1.553195697,-1.015730687,-1.3069237,-1.316893678,-1.204359241,-1.375004654
10782,C28 H26 O18,"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside Esi+13.302982 :1",650.1134,13.302982,0.449355542,0.498698225,0.15553662,0.494011423,0.196257235,0.484681437,0.282944072,-0.113838013,-0.181923479,-0.032613246,-0.108338758,-0.138690539,-0.156379888,-0.086409698
10783,C29 H47 O12 P,"PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",618.2784,12.093013,1.411090113,1.30989281,1.516366241,1.060884883,1.934662628,1.118420208,1.594638689,0.558388522,0.546909191,0.572083161,0.372582126,0.841411973,0.425005429,0.644385516
10784,C21 H30 O8 S,cortisol 21-sulfate,441.1593,13.769028,2.105179028,2.276108511,1.943569039,2.287747893,2.080867129,2.206527302,2.163198716,0.900175382,1.014445606,0.763853009,0.895768281,0.914832097,0.836551099,0.941196301
10785,C19 H38 O2,3-Methyl-3-butenyl tetradecanoate Esi+10.763991,315.3132,10.763991,0.672639762,0.738492645,0.381828174,0.794134659,0.600162928,0.70869585,0.569626872,-0.457508088,-0.528515651,-0.372797311,-0.489240571,-0.415266175,-0.497919283,-0.431453501
10786,C35 H56 O10,Madlongiside C Esi+14.576971 :3,636.3877,14.576971,0.268091807,0.120461458,0.585375275,0.21824947,0.32004996,0.439790901,0.193342976,0.316962874,0.20959409,0.445051949,0.329677312,0.276956376,0.428625755,0.244969701
10787,C21 H43 N8,C21 H43 N8,407.3608,14.9839525,1.242005544,1.288219391,0.979047228,1.139177872,1.209145033,1.27915507,1.139574137,-0.738543494,-0.849828263,-0.605782717,-0.709267207,-0.779105524,-0.767110821,-0.720125085
10788,C23 H44 O5,"1,2-Didecanoyl-sn-glycerol Esi+9.407981",400.3186,9.407981,0.46127257,0.566784125,0.34047709,0.283048859,0.737629697,0.078615194,0.693936182,-0.133591209,-0.183744557,-0.073759144,-0.059801514,-0.254044438,-0.01563926,-0.209639176
10789,C19 H35 N O4,CAY10580 Esi+9.685033 :5,341.256,9.685033,0.58893957,0.554725788,0.657473218,0.619358872,0.640965417,0.653187129,0.621478222,0.487875976,0.518397286,0.451464587,0.5114465,0.445947246,0.522854727,0.465323886
10790,C21 H34 N6 O4,C21 H34 N6 O4,434.2641,13.809021,0.419928957,0.541537363,0.116088799,0.299551253,0.530955036,0.298753778,0.473326767,-0.253075442,-0.410204293,-0.065623479,-0.173740237,-0.373497621,-0.190859222,-0.293188531
10791,C31 H40 O4,4-O-alpha-Cadinylangolensin Esi+8.776991,476.2928,8.776991,0.059469212,0.01362249,0.131864811,0.045979724,0.166952419,0.01267579,0.018533142,-0.103763767,0.004479444,-0.232896018,-0.035466563,-0.227803553,-0.014187338,-0.16151699
10792,C32 H54 O4,"1?,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3) Esi+16.21601",502.4028,16.21601,1.63959807,1.580935239,1.606914178,1.711827364,1.497955738,1.747458894,1.506787654,-3.279832899,-3.271256041,-3.290064941,-3.426811483,-3.05569791,-3.546375768,-3.107982892
10793,C9 H11 N O3,Meta-Tyrosine,181.0725,1.0599983,0.812120554,0.886493868,0.639739506,0.919923891,0.746638018,0.716462124,0.794753934,0.446966651,0.514318129,0.366617519,0.422516421,0.530031644,0.354393944,0.506651685
10794,C19 H32 O6,C19 H32 O6,356.2197,12.748028,2.067618915,1.781608723,2.254651174,1.948200176,2.148633631,1.863032841,2.140337798,2.454477202,2.189963031,2.770037967,2.306892909,2.664170324,2.25766653,2.581368292
10795,C25 H29 F O2 Si,Silafluofen,408.1928,13.315987,1.996503823,1.716718972,2.165785518,1.912324194,2.035633628,1.808169326,2.043393799,2.034858678,1.83709363,2.270788909,1.931631549,2.196908454,1.83899692,2.161137968
10796,C30 H44 O6,Ganolucidic acid A Esi+10.954003,500.3109,10.954003,0.082155655,0.343666954,0.070208398,0.245448323,0.080798153,0.328332663,0.001482864,0.19236202,0.292026494,0.073464051,0.286121048,0.022153641,0.339569012,0.097452248
10797,C58 H98 N5 S3,C58 H98 N5 S3,960.6892,15.145997,0.665219116,0.836672918,0.348588157,0.637956898,0.601362858,0.602516324,0.597631717,-0.359163501,-0.539915531,-0.143529499,-0.37020116,-0.352326898,-0.386206888,-0.341727633
10798,C31 H43 N14 O,C31 H43 N14 O,627.3778,13.102032,0.791694315,1.172779103,0.161505303,0.837351712,0.610126199,0.913179779,0.704902878,-0.304609652,-0.504282483,-0.066403467,-0.339477368,-0.242213499,-0.37530789,-0.259027893
10799,C29 H49 N16 O18,C29 H49 N16 O18 Esi+5.4820037,909.3406,5.4820037,0.414849166,0.535344724,0.27012928,0.417029233,0.490189617,0.753420859,0.213368242,0.257481121,0.347932853,0.149573792,0.289828737,0.220331143,0.474823076,0.117352755
10800,C13 H24 N4 O14,C13 H24 N4 O14,460.1311,10.026985,0.59478083,0.783754724,0.261966802,0.513571697,0.613364473,0.590131075,0.535058372,-0.39761327,-0.512499836,-0.260555612,-0.321315644,-0.481044728,-0.478197503,-0.345657646
10801,<none>,<none> Esi+14.383036,820.497,14.383036,0.230469156,0.344411001,0.062150704,0.112513,0.393397493,0.022807626,0.39699515,-0.144195908,-0.228338749,-0.043814974,0.04485154,-0.364713606,0.042192285,-0.264367242
10802,C29 H50 O4,"(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one Esi+14.944029",462.3682,14.944029,0.435896749,0.398014844,0.364738473,0.100929343,0.647211022,0.037607863,0.619692743,-0.220293245,-0.237012705,-0.200347223,0.009327916,-0.540525837,0.127892417,-0.44478137
10803,C21 H30 N7 O3,C21 H30 N7 O3,428.2408,10.0779915,0.731771639,0.541608307,0.753427851,0.575642425,0.701513595,0.638502404,0.695439767,0.973203139,0.875846127,1.089348346,0.968470542,0.959995648,1.061971552,0.915970873
10804,C26 H52 O7,"1-O-alpha-D-glucopyranosyl-1,2-eicosandiol Esi+10.618009",476.3704,10.618009,2.177154086,2.069403223,2.086786852,2.178310953,2.064730112,2.000810132,2.187022608,2.243346103,2.242413901,2.244458204,2.215309727,2.273626563,2.167287343,2.292383987
10805,C34 H67 N O5 S,N-(hexadecanoyl)-deoxysphing-4-enine-1-sulfonate,600.4629,13.315978,0.007765884,0.039804975,0.224886994,0.046406305,0.185159345,0.161608772,0.024507978,0.03140913,0.001891616,0.066623006,0.037097893,0.009726309,0.110764597,-0.019754263
10806,C40 H60 O6,Mactraxanthin Esi+15.257027,636.4349,15.257027,0.454154977,0.338385504,0.713030327,0.682277939,0.355216572,0.530077784,0.492492157,0.447243661,0.333729546,0.582664008,0.504328427,0.365377281,0.371330976,0.496187366
10807,C15 H6 Cl2 N6 O9 P S5,C15 H6 Cl2 N6 O9 P S5,674.7911,12.318028,1.15211448,1.072921009,0.959394716,1.134029405,0.862318781,1.016518984,1.031544237,-0.649619845,-0.740492585,-0.54121026,-0.595871611,-0.702913857,-0.586285763,-0.690453661
10808,<none>,<none> Esi+14.111026,862.635,14.111026,0.248508029,0.321547479,0.011130499,0.311008368,0.054733458,0.129444007,0.211213068,-0.109234299,-0.167406769,-0.039835562,-0.115823403,-0.100282304,-0.062949238,-0.139075983
10809,C17 H31 N O4,C17 H31 N O4 Esi+8.36203 :1,313.2251,8.36203,0.616186447,0.692565458,0.433248701,0.620831345,0.388813924,0.547085968,0.536501746,-0.75242914,-0.798980961,-0.696893634,-0.788696825,-0.664311761,-0.750416055,-0.753727049
10810,C18 H34 O3,12R-HOME(13Z) Esi+15.233972,298.2505,15.233972,1.591522821,1.75026152,1.27871263,1.628662941,1.358632435,1.628498964,1.4622673,-1.308202269,-1.532434989,-1.040696567,-1.357953899,-1.214977947,-1.344969568,-1.284497036
10811,C22 H43 N14 O2 P,C22 H43 N14 O2 P,566.3429,13.893009,1.429430321,1.229160693,1.641898586,1.423892845,1.394059154,1.372798748,1.493324113,1.655135209,1.469618043,1.876453933,1.700488118,1.571553796,1.637329603,1.666615139
10812,C29 H57 O8 P,PA(12:0/14:0) Esi+12.79704,564.3718,12.79704,1.371506846,1.362773425,1.301620566,1.37301918,1.296392744,1.284251422,1.416171534,1.498906828,1.492375079,1.50669909,1.55786128,1.422583385,1.449455933,1.530789642
10813,C39 H66 O9 S,C39 H66 O9 S,710.4416,14.224048,0.248202824,0.270271449,0.265362734,0.326718159,0.179958278,0.341606555,0.102538293,-0.080668514,-0.098947273,-0.058862276,-0.101078874,-0.04815835,-0.13787076,-0.043788119
10814,C30 H48 O10,Deoxycholic acid 3-glucuronide Esi+11.029031,568.3249,11.029031,1.413974906,1.410006017,1.660038381,1.542704663,1.523309023,1.555765139,1.539982304,1.375517961,1.262679709,1.510132016,1.455285912,1.245738085,1.523300064,1.280237395
10815,C36 H58 O12,Fusicoccin A Esi+13.363018,682.3904,13.363018,2.119440174,2.010306218,2.140431131,2.146043765,2.08474155,1.940644296,2.182060324,2.588163369,2.441398349,2.763251463,2.538568919,2.647549011,2.409136291,2.703588722
10816,C16 H44 N12 O9,C16 H44 N12 O9,548.3335,8.792995,0.4922405,0.819166333,0.184818302,0.565627472,0.166237035,0.729819251,0.251474195,-0.189107828,-0.348473208,0.001012274,-0.250335243,-0.087169453,-0.320492252,-0.10439945
10817,C36 H59 N21 O4 P,C36 H59 N21 O4 P Esi+10.980976,880.4785,10.980976,1.451418007,1.261202427,1.683566676,1.484249771,1.442034379,1.462130546,1.468358375,0.703216882,0.620859385,0.801467931,0.755881044,0.627339158,0.73203858,0.684634471
10818,C36 H62 N3 O5 S2,C36 H62 N3 O5 S2,678.4293,14.339041,0.347465057,0.39311341,0.297689924,0.227519587,0.591748496,0.113793037,0.463087485,-0.197835721,-0.224582492,-0.165927291,-0.008457551,-0.453583115,0.01327023,-0.333943505
10819,C18 H16 O3,Asparenyol Esi+0.88000137,280.1128,0.88000137,0.476247434,0.412289995,0.462383318,0.641201208,0.182330209,0.534367266,0.341699769,0.303979036,0.220755718,0.403262995,0.35896554,0.239515957,0.352850298,0.272469934
10820,C20 H32 O8,Cincassiol B Esi+9.362029,417.2407,9.362029,0.780966623,0.857033368,0.542277314,0.839173573,0.629474337,0.593417875,0.783132403,-0.392503419,-0.492611687,-0.273076013,-0.387450481,-0.41250706,-0.32030407,-0.439053
10821,C37 H78 N22 O S2,C37 H78 N22 O S2,910.6166,13.988024,1.023819218,1.075060118,1.065411256,1.060038894,0.933056756,1.185421501,0.991605395,0.857279046,0.930151143,0.770343912,0.943373585,0.706871517,1.019565386,0.752647064
10822,C10 H16 O3,Ascariadole epoxide Esi+5.4990125,184.1084,5.4990125,0.558531344,0.708312221,0.42125456,0.584093598,0.638750001,0.719842341,0.566140394,0.434099538,0.494956251,0.361498548,0.446496379,0.413062507,0.519379626,0.379116324
10823,C23 H38 N4 O,C23 H38 N4 O,386.3016,8.686012,1.122458057,1.342404056,0.6979425,1.134881775,1.008785604,1.194860679,0.997292589,-0.32764965,-0.432185086,-0.202940709,-0.35387384,-0.285828269,-0.399770596,-0.281150619
10824,C17 H34 N6 O5,C17 H34 N6 O5,402.2584,9.4570055,0.996096426,0.908310787,0.919270498,1.036597204,0.806040234,0.87181584,0.942577141,1.216602369,1.341721052,1.067337976,1.253684842,1.166818083,1.200454363,1.227013584
10825,C19 H41 N O S,C19 H41 N O S,331.2941,9.642006,0.761621324,0.721538941,0.680114779,0.708911314,0.672517335,0.714550718,0.695406443,-0.645215235,-0.615385937,-0.680801063,-0.612682616,-0.71369477,-0.57111365,-0.692991256
10826,C10 H18 N2 O3,C10 H18 N2 O3,213.1351,0.86999875,0.151552372,0.120748202,0.552061129,0.262581067,0.698277919,0.294400284,0.540969874,0.057745817,-0.00758881,0.13568888,-0.021354255,0.171784526,-0.046906434,0.125218978
10827,<none>,<none> Esi+10.982002,448.7532,10.982002,1.420038576,1.229220051,1.654135775,1.40392567,1.503137023,1.294158357,1.509484177,0.651298979,0.57167725,0.746286304,0.670170775,0.629256661,0.623599242,0.66915802
10828,C31 H49 Cl N O3 S,C31 H49 Cl N O3 S,548.2976,12.571028,1.974245932,1.729493176,2.178499382,1.83383801,2.092948157,1.784025008,2.067536728,2.911019404,2.652668582,3.219227401,2.792392918,3.069275883,2.716817062,3.036228808
10829,C21 H18 N19 O,C21 H18 N19 O,552.1949,10.1939945,0.278683926,0.289969417,0.16921819,0.03552831,0.393028969,0.429678094,0.18628456,0.270039106,0.332312701,0.195747799,0.20984621,0.317134554,0.399942395,0.186285669
10830,C47 H79 N8 O12,C47 H79 N8 O12 Esi+14.002988,947.5825,14.002988,0.668787006,0.753018291,0.384122228,0.613398655,0.62372967,0.595302935,0.628003103,-0.532505935,-0.703512646,-0.32849793,-0.41581235,-0.720535248,-0.481593887,-0.565330808
10831,C37 H80 N26 O3 P,C37 H80 N26 O3 P Esi+10.125,967.6637,10.125,0.419317298,0.395445514,0.42686887,0.569141877,0.222497693,0.214500162,0.509444798,-0.22259643,-0.18346694,-0.269277225,-0.230642143,-0.233391239,-0.069191411,-0.321502298
10832,C30 H50 N9 O3,C30 H50 N9 O3 Esi+15.624019,584.4036,15.624019,1.458780564,1.466328102,1.24745806,1.427108078,1.312577336,1.262351738,1.438158408,-0.89381548,-1.012189376,-0.752597499,-0.901816905,-0.894595833,-0.811020646,-0.94719636
10833,C22 H34 N4 O,1-Naphthylacetylspermine Esi+12.115989,370.2678,12.115989,1.668962449,1.576337427,1.782269804,1.423520512,1.903791957,1.468710099,1.834532182,1.820396915,1.746719819,1.908292398,1.575859956,2.136886802,1.741351042,1.871360702
10834,C21 H42 O2,Heneicosanoic acid Esi+12.458007,343.3442,12.458007,1.681725631,1.810916994,1.567341167,1.686121448,1.811374996,2.003498594,1.658994997,-0.672513999,-0.783599823,-0.539990558,-0.674169015,-0.654899836,-0.818630942,-0.578307022
10835,C24 H49 O8 P,PG(P-18:0/0:0),496.3183,14.409969,0.123504125,0.020137912,0.036337712,0.037799925,0.097494051,0.180916964,0.122161163,-0.021712009,-0.032929602,-0.008329618,-0.011098511,-0.037789136,0.059939732,-0.074355895
10836,C28 H45 N O4 P,C28 H45 N O4 P,490.305,9.631996,0.836825863,0.813945953,0.953885448,1.027376147,0.674821755,0.77556452,0.955167804,0.941512653,0.8779744,1.017312674,1.040992125,0.750359094,0.792165864,1.03780203
10837,C48 H95 O12 P,PI(O-20:0/19:0),894.6606,15.177001,1.467403708,1.706246428,1.188332512,1.497204179,1.543735254,1.682953223,1.432985437,-0.712002022,-0.853298838,-0.543437398,-0.76118447,-0.662740764,-0.816400088,-0.644692742
10838,C17 H28 N6 O4,His Lys Pro Esi+10.224016,380.2167,10.224016,2.076734018,1.902215247,2.01614988,2.002602574,2.01111982,1.787961116,2.133592625,2.136885491,1.980030997,2.32401015,2.042698451,2.264440264,2.045906242,2.195543165
10839,C13 H35 Cl2 N8 O5 S5,C13 H35 Cl2 N8 O5 S5,612.0881,12.757017,0.137626352,0.116161091,0.240342897,0.176049819,0.093308771,0.121315207,0.226541005,0.121489098,0.10660476,0.139245852,0.131187264,0.093582834,0.092530649,0.140159677
10840,C40 H54 O7 S,Erythroxanthin sulfate,678.3597,12.777022,0.092673199,0.377221579,0.285956056,0.15835776,0.050160808,0.171919696,0.035213381,0.020966532,-0.289293118,0.391100852,0.020896155,0.048020115,-0.089324415,0.092075169
10841,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+5.0989995",172.1104,5.0989995,0.293921733,0.135872176,0.399742481,0.190621605,0.451146084,0.063605119,0.442448622,-0.097954563,-0.064532184,-0.137826876,0.049820405,-0.301811273,0.124679526,-0.241494963
10842,C44 H86 N5 O8 P S,C44 H86 N5 O8 P S,875.5818,14.252984,0.091870739,0.106579177,0.031477392,0.046656305,0.124801391,0.092995899,0.097227821,0.09967367,0.121502808,0.073631892,0.090797584,0.075121164,0.08092964,0.111758637
10843,C22 H26 F3 N3 O2 S,Fluphenazine Sulfoxide Esi+10.498024 :1,452.163,10.498024,0.25987745,0.167027012,0.567199361,0.430649916,0.204543915,0.107611402,0.494720867,0.172494918,0.118059424,0.237435507,0.187422646,0.144657931,0.044642302,0.254926209
10844,C32 H59 N O5,C32 H59 N O5 Esi+16.228024,537.4397,16.228024,2.169824844,2.3011465,1.921350047,2.28170747,2.011142952,2.311681938,2.078076819,-1.792453866,-2.049295896,-1.48604583,-1.79333579,-1.755794582,-1.774253323,-1.804188426
10845,C27 H43 F O3,"1,24-Dihydroxy-25-fluorovitamin D3 Esi+14.544993",451.3513,14.544993,2.609985556,2.701026441,2.435086053,2.713891822,2.600212524,2.705694379,2.56795562,-1.783397174,-1.935800123,-1.60158313,-1.786729503,-1.773851149,-1.815288277,-1.762835805
10846,C14 H26 N6 O4,Arg Ala Pro,342.2031,9.3689995,0.518586966,0.326559388,0.722795516,0.432164564,0.518176498,0.470151219,0.600747081,0.482526218,0.289381368,0.712944636,0.523585043,0.450700612,0.379757905,0.548784736
10847,C19 H38 O3,19-hydroxy-nonadecanoic acid Esi+11.224999,331.3071,11.224999,1.08022982,1.35264978,0.72261438,1.18074519,0.938169579,1.194484567,0.945457487,-0.78680502,-0.958242014,-0.582283694,-0.804080492,-0.739754819,-0.833300156,-0.756827894
10848,C37 H60 O12,Glucosyl passiflorate Esi+14.571029,718.3919,14.571029,0.913207258,0.810774812,1.004781623,0.807114112,0.962080799,1.006308724,0.819679368,0.557257363,0.539916815,0.577944333,0.541702863,0.576534446,0.653120708,0.495450733
10849,C15 H23 N3 O4,Pro Pro Pro Esi+8.479986,308.1597,8.479986,1.145122591,1.329405902,1.134777732,1.22891425,1.144468934,1.53568683,0.993084322,1.309942012,1.424183166,1.173654321,1.260109242,1.336623787,1.580961572,1.135205717
10850,C25 H45 N8 O,C25 H45 N8 O,473.3684,15.433038,0.636606769,0.674739142,0.386476487,0.64209521,0.414609974,0.565852089,0.552778752,-0.536143154,-0.700064089,-0.340588355,-0.61557372,-0.438398448,-0.628428996,-0.476643072
10851,C36 H60 O8,Ginsenoside Rh4 Esi+13.229984,642.4098,13.229984,0.295637345,0.601055986,0.048391285,0.298712382,0.328776028,0.579194574,0.179311867,0.177788676,0.422133824,-0.113710799,0.178143849,0.166030342,0.342334227,0.071700097
10852,C27 H44 O3,"5,6alpha-epoxy-cholest-7-en-3beta,9alpha-diol Esi+12.989991",416.3285,12.989991,0.801099711,0.925406185,0.312511221,0.704512785,0.604926751,1.012279196,0.491805139,-0.299696729,-0.400649565,-0.179261767,-0.312891225,-0.267626987,-0.428198949,-0.216846614
10853,C50 H84 N5 O2 S2,C50 H84 N5 O2 S2,850.6113,14.693014,1.283240107,1.378074521,1.039063037,1.190190678,1.300440901,1.255639908,1.239087542,-0.839900701,-0.971061561,-0.683428097,-0.737574112,-0.968925652,-0.780139266,-0.8784311
10854,C45 H82 O15 P2,"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0]) Esi+13.811021",924.5052,13.811021,0.650855919,0.498347215,0.670073706,0.681802818,0.408067879,0.573873269,0.610234471,-0.333444856,-0.293863649,-0.380664542,-0.381656577,-0.274632022,-0.344577596,-0.326267169
10855,C14 H20 O4,QH(2) Esi+9.93701,252.1361,9.93701,0.301112105,0.379931933,0.049518719,0.343112635,0.103517681,0.403413287,0.103573854,-0.150146032,-0.240668043,-0.04215486,-0.188992789,-0.098804025,-0.238497318,-0.093182703
10856,C19 H29 N O2,Samandarone Esi+11.129975,325.2011,11.129975,0.085491244,0.212255501,0.661766611,0.00396311,0.316652289,0.040618946,0.178732961,0.072415475,-0.02977029,0.194321301,0.03355979,0.125990197,0.044997784,0.090092671
10857,C23 H2 N O12 P S5,C23 H2 N O12 P S5 Esi+12.907975,674.7913,12.907975,0.023048672,0.058584037,0.034922683,0.019376318,0.06818933,0.13993103,0.012143029,0.073218413,0.092407784,0.050325829,0.084992657,0.039668467,0.123276881,0.040943874
10858,C43 H60 N2 O12,Mocimycin,796.4151,16.060041,0.406697655,0.513000882,0.247538634,0.563735714,0.145172106,0.487916247,0.322623962,-0.162272543,-0.267411469,-0.036843649,-0.205544598,-0.096957494,-0.22573402,-0.12135659
10859,C26 H40 N5,Agelasine Esi+12.326982,439.3503,12.326982,0.838431947,0.828565029,0.734079449,0.749969574,0.866911314,0.779944222,0.852573186,-0.440308467,-0.449200032,-0.429700987,-0.375144477,-0.55207654,-0.35816504,-0.493269361
10860,C37 H61 N O12,Mycinamicin V Esi+8.249016,710.4057,8.249016,0.207274486,0.013128393,0.512689453,0.1902795,0.230276688,0.040083239,0.244437313,-0.145888871,0.022974923,-0.347340415,-0.094657446,-0.22928851,0.008686833,-0.245549522
10861,C27 H34 N2 O7,Moexipril,498.2425,9.317994,1.212613414,1.10371514,1.099738871,1.02038201,1.126391476,0.991706214,1.19101339,1.433923725,1.438200504,1.428821603,1.356293952,1.513835081,1.338664128,1.495341097
10862,C32 H53 N O11 S,Taurolithocholic acid 3-glucuronide,676.359,13.076976,1.267780151,0.889875609,1.768820742,1.233444308,1.40536537,1.17413033,1.365193272,0.503456129,0.360737725,0.673716682,0.478681018,0.54034302,0.431797433,0.549657131
10863,C10 H19 N7 O4,C10 H19 N7 O4,300.1447,0.8800011,0.41438392,0.350366177,0.440754546,0.165674446,0.72547502,0.159114416,0.557874137,0.476542153,0.48323002,0.468563646,0.366368879,0.617291124,0.359648114,0.551908047
10864,C24 H44 O7,2-Stearyl citrate Esi+14.125981 :1,444.3098,14.125981,0.757015026,0.541961084,0.974002653,0.549245367,0.857042088,0.776399513,0.679106614,0.481134953,0.399703244,0.578281554,0.440238847,0.530352243,0.562916848,0.428407153
10865,C32 H65 N2 O6 P,PE-Cer(d14:1(4E)/16:0) Esi+14.22198,626.4384,14.22198,1.143999501,1.209879329,0.993104749,1.237993433,0.948843779,1.24828117,0.989687515,-0.94790604,-1.141014075,-0.717531542,-0.957353854,-0.939319826,-1.041805011,-0.887365914
10866,C17 H24 N3 O3,C17 H24 N3 O3,318.1818,10.357989,0.319569787,0.301946768,0.312094298,0.302299498,0.237839167,0.180527868,0.366492573,-0.161030911,-0.1652333,-0.156017534,-0.141372836,-0.183378034,-0.087697327,-0.208311774
10867,C13 H6 Br2 F6 N2 O2 S,Thifluzamide Esi+9.151996 :1,524.834,9.151996,0.090041956,0.118530006,0.011730958,0.093253124,0.351725357,0.182245823,0.236635123,-0.148392174,-0.059110908,-0.254903157,-0.333674337,0.08159796,-0.307968941,-0.045507152
10868,C22 H40 Cl O8 P S4,C22 H40 Cl O8 P S4 Esi+13.712964,626.1034,13.712964,0.023642798,0.118425288,0.210955785,0.020242053,0.010123582,0.022185534,0.021878423,0.101848689,0.049370628,0.164454095,0.123382869,0.048134955,0.10974682,0.096756473
10869,C30 H46 O4,Secobryononic acid Esi+15.121029,470.3369,15.121029,0.576629056,0.622112201,0.404030389,0.602570028,0.488788698,0.407597253,0.563571818,-0.156764516,-0.21762739,-0.084156176,-0.152800965,-0.150061189,-0.121423528,-0.179550153
10870,C10 H22 O3,C10 H22 O3 Esi+8.286009,190.1524,8.286009,0.278020779,0.590609014,0.218526641,0.388856743,0.129338623,0.621990855,0.066907961,-0.095359122,-0.235902429,0.072306578,-0.126146587,-0.024529778,-0.206286876,-0.023839912
10871,C40 H48 N4 O2,Tabernamine,638.3637,12.843996,2.040533369,1.961679142,2.019019397,1.910466274,2.174194805,1.836709469,2.114996938,3.018810643,2.893852201,3.167883871,2.943748884,3.111932699,2.885909146,3.104497134
10872,C24 H44 N6 O2,C24 H44 N6 O2,446.3371,16.293966,0.930085104,0.837313313,0.811901389,0.836088025,0.899684877,0.816816638,0.857750159,1.199124777,1.21219164,1.18353624,1.15253058,1.294234627,1.209682252,1.192317984
10873,C26 H54 Cl N3 O P,C26 H54 Cl N3 O P,490.3548,14.535979,0.280210158,0.231738062,0.381864568,0.464569361,0.156527727,0.455693595,0.230658758,0.229789812,0.152534716,0.321953785,0.313009149,0.156116921,0.343715514,0.156337714
10874,C18 H32 N6 O4,Leu His Lys Esi+11.409004 :1,396.2494,11.409004,2.167733111,2.042597496,2.384989472,2.18197727,2.294075087,2.063196695,2.303996528,2.296350779,2.060383368,2.577855762,2.150289894,2.47487995,2.090933321,2.428790983
10875,C16 H30 N2,Phlegmarine Esi+10.718995,250.2398,10.718995,1.897392899,2.023321642,1.900662177,1.871277558,2.190539703,2.101662271,1.96485604,-1.026144888,-1.146201327,-0.882919662,-0.991194339,-1.084702213,-1.05733092,-1.006038103
10876,C17 H31 N O4,C17 H31 N O4 Esi+8.125984,313.2249,8.125984,0.332792983,0.336504468,0.340413741,0.479734169,0.006312034,0.86113984,0.027260498,-0.322205284,-0.230071721,-0.432119008,-0.45846746,-0.116223841,-0.688491305,-0.086047192
10877,C17 H33 N O,C17 H33 N O,267.2461,10.362036,0.950321876,0.840108566,1.144662383,0.901469846,1.171652511,0.784864748,1.125163275,0.387562346,0.348243018,0.434469615,0.326701177,0.467529416,0.298450795,0.445015846
10878,C32 H59 N11 O3 P,C32 H59 N11 O3 P Esi+13.886978,676.4549,13.886978,1.64151568,1.634054291,1.463209748,1.755217695,1.367053893,1.628431372,1.560870921,1.489774274,1.61841319,1.336310304,1.622803693,1.276438699,1.584892188,1.42844825
10879,C44 H77 N8 O9,C44 H77 N8 O9 Esi+14.49803,861.5807,14.49803,0.406254015,0.544580201,0.081845864,0.373503114,0.300914654,0.303019599,0.351298852,-0.615133017,-0.817277473,-0.373978229,-0.658531088,-0.55972862,-0.620676281,-0.611559071
10880,C39 H48 N3 O10,C39 H48 N3 O10,718.3341,11.009016,2.16992523,2.318529754,2.144618734,2.177535183,2.445955733,2.11966321,2.386588763,0.597048598,0.650330163,0.533484626,0.576308195,0.627758812,0.535405382,0.636792251
10881,C35 H64 S2,C35 H64 S2,548.4411,14.931952,0.949753389,0.958128561,0.861918146,0.94850558,0.882099199,0.694597293,1.093311516,0.71384135,0.729623663,0.695013327,0.736527722,0.679594087,0.60592778,0.783417203
10882,C19 H48 N10 O S2,C19 H48 N10 O S2,496.3536,15.097964,0.085468083,0.191997522,0.06610018,0.172262493,0.092817781,0.367791291,0.059818311,0.035065972,0.103894642,-0.047045423,0.085608148,-0.057709014,0.183494176,-0.060631159
10883,C44 H25 Cl2 O9 P,C44 H25 Cl2 O9 P,798.061,14.165025,0.511793776,0.698827753,0.059618431,0.707254469,0.205079884,0.588483096,0.470187567,-0.271083897,-0.418333749,-0.095417406,-0.323081726,-0.216391702,-0.291734616,-0.257769617
10884,C21 H38 N9 P,C21 H38 N9 P,447.2889,9.370006,0.14342365,0.031491601,0.26324676,0.06556471,0.15373509,0.097144291,0.226632067,-0.060476071,0.161608488,-0.325419052,0.033031153,-0.232370535,0.209556904,-0.234576278
10885,C30 H46 O6,Ganolucidic acid B,524.3125,14.404036,0.387033291,0.393040753,0.554233229,0.594666566,0.267333332,0.679200349,0.330799493,0.171255472,0.188526622,0.150651292,0.213218285,0.101788215,0.268137613,0.108791986
10886,C22 H28 O5,clavulolactone III,394.1765,12.75,2.359059058,2.167556038,2.610808208,2.377004248,2.472655235,2.28668551,2.451911541,1.790799882,1.633757433,1.97814877,1.666858932,1.972093784,1.646988539,1.883520354
10887,C28 H63 N21 O4 P,C28 H63 N21 O4 P,786.5279,13.543964,0.610366973,0.598487976,0.63233103,0.695867338,0.456386134,0.704810474,0.567435181,0.370192098,0.382227281,0.355834336,0.439203991,0.262871661,0.436784897,0.327257268
10888,C26 H41 N O4,Malyngamide H Esi+10.131002,431.302,10.131002,0.210112734,0.18888868,0.223861292,0.354675173,0.053674637,0.417262196,0.093553795,-0.220575549,-0.204048048,-0.240292568,-0.272091714,-0.137358352,-0.344335043,-0.140783244
10889,C22 H28 N2 O2,Anileridine,352.2214,11.982995,1.725552616,1.598325384,1.683249114,1.716188605,1.600342198,1.535634438,1.724621179,1.262361373,1.292451516,1.226464359,1.248904982,1.27575651,1.318421703,1.226217212
10890,C28 H46 N7 O20 P3 S,3-Hydroxypimelyl-CoA,925.1728,14.962959,2.494476884,2.636904789,2.408384001,2.603156821,2.574174706,2.663555436,2.508234951,-1.517233313,-1.689136115,-1.312156285,-1.545716351,-1.470244053,-1.562493768,-1.488052229
10891,C46 H82 N O10 P,"PS(18:0/22:4(7Z,10Z,13Z,16Z)) Esi+13.157975",839.5669,13.157975,1.113575638,1.030837755,1.229613959,1.116850806,1.011859267,1.282136856,1.01801764,0.614772991,0.628948929,0.597861346,0.649747908,0.544206496,0.755852564,0.523813793
10892,C15 H35 N7 O2 P S2,C15 H35 N7 O2 P S2,440.2019,8.797004,0.55259788,0.452058865,0.50062456,0.453000132,0.409682569,0.536763944,0.454762873,0.5085531,0.459947691,0.566538501,0.500145793,0.480951664,0.540184669,0.488159062
10893,C18 H26 O5,beta-Zearalanol Esi+8.993009,322.175,8.993009,1.175853579,1.028136276,1.385348238,1.258455556,1.068821778,1.134303536,1.277085448,0.900367966,0.791498569,1.030247246,0.963957334,0.766336656,0.809745863,0.958795374
10894,C15 H26 N6 O4,Ala Lys His Esi+8.3320055,354.2015,8.3320055,1.001249595,1.171019284,0.77194428,1.080225584,0.995031105,1.267828651,0.92060997,0.980428821,1.079657595,0.862050634,0.928157962,1.027880915,1.122545354,0.888801056
10895,C12 H18 O3,"3-Ethenyl-2,5-dimethyl-4-oxohex-5-en-2-yl acetate Esi+7.566014",210.1256,7.566014,0.568431829,0.491350983,0.841478584,0.473813018,0.850188135,0.30608851,0.892190142,0.238283992,0.165480665,0.325137083,0.188387963,0.312138844,0.11451876,0.318079997
10896,C29 H55 O8 P,PA(14:1(9Z)/12:0) Esi+14.441968,562.3578,14.441968,0.073147497,0.029178457,0.192629123,0.151683501,0.010454535,0.242043058,0.03429018,0.021274153,0.011332065,0.033134891,0.06394164,-0.061566074,0.081552535,-0.01758954
10897,C32 H46 O5,Ganodermic acid TQ Esi+15.235042,510.3277,15.235042,0.810366296,0.725454314,1.083978888,1.068709438,0.655221037,1.069339485,0.757943329,0.993407468,0.89272868,1.113515496,1.118421962,0.799092778,1.08986668,0.93121666
10898,C28 H62 N3 O2 P S2,C28 H62 N3 O2 P S2,567.3996,13.996011,0.02427158,0.305432981,0.484774342,0.216679852,0.264187096,0.130845253,0.092241872,0.014764675,-0.146466923,0.207111143,-0.098391502,0.14323709,0.165991692,-0.082736953
10899,C24 H38 O4,6?-Hydroxy-3-oxo-5?-cholan-24-oic Acid Esi+16.138966,390.2768,16.138966,0.345277254,0.497646259,0.093899749,0.534445134,0.091504079,0.181436263,0.391086652,0.460778346,0.631492859,0.257118928,0.649450571,0.229414043,0.305578304,0.560841531
10900,C15 H22 O4,"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1) Esi+9.1390085",265.1443,9.1390085,0.405798281,0.274332812,0.639864848,0.361745036,0.642085435,0.065021227,0.591616597,0.178930612,0.157188337,0.204868764,0.023027847,0.408033355,-0.107037591,0.363304848
10901,C32 H7 N3 O17,C32 H7 N3 O17 Esi+14.162028,704.9773,14.162028,1.335087367,1.369294193,1.368282892,1.241355087,1.394349449,1.0498642,1.574118753,0.984631868,0.975992764,0.994938168,0.987602217,1.007283248,0.808600116,1.098126024
10902,C32 H71 N18 P,C32 H71 N18 P,738.5829,13.230973,0.642333186,0.885367375,0.229480989,0.589756481,0.672754266,1.026151816,0.332585847,-0.286144436,-0.421611445,-0.124534672,-0.289070502,-0.274492784,-0.512238795,-0.140373073
10903,C46 H75 N O8 P,"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",817.5533,14.46404,0.136372187,0.025863992,0.201919106,0.052917728,0.144595056,0.082883187,0.147322902,0.324773926,0.148520726,0.535040901,0.290045786,0.360570345,0.295275226,0.343792824
10904,C20 H32 N2 O2,U-51605,332.2453,7.7380095,1.072949366,1.107284839,1.00169736,1.070789598,1.074067563,1.024937222,1.059855585,-0.535978997,-0.565637015,-0.500597503,-0.504762356,-0.592962075,-0.517851008,-0.54766678
10905,C11 H18 O3,C11 H18 O3 Esi+5.6009946,198.1259,5.6009946,0.936716858,0.840689122,0.930856879,0.921022643,0.81177763,0.970803083,0.753896319,0.563804504,0.522790703,0.612733248,0.625988142,0.477351989,0.768990749,0.431513372
10906,C7 H16 Cl2 N8,C7 H16 Cl2 N8,282.0878,5.8819942,1.090104945,0.787805375,1.454153656,1.001080424,1.018481875,0.937123955,1.150532378,1.02009962,0.767489414,1.321459164,1.058805469,0.950248097,0.955346002,1.061848663
10907,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.468995,311.1518,11.468995,0.461201602,0.377147463,0.60504204,0.546133881,0.369776303,0.392280523,0.561705781,0.519584641,0.519975211,0.519118699,0.658683692,0.311577239,0.49478536,0.535573652
10908,C41 H68 O10,Lupeoside Esi+13.750981,720.4814,13.750981,1.560908247,1.513676249,1.57593182,1.322642857,1.916097805,1.246219996,1.842777526,1.867842028,1.952358241,1.767015668,1.640580864,2.156260913,1.535456931,2.082142946
10909,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+12.272969 :1",414.2234,12.272969,2.199317493,1.922031151,2.505815615,2.09034577,2.400621518,2.046604038,2.317307063,3.484096992,3.069251136,3.97900082,3.242555819,3.817792988,3.201178467,3.666504988
10910,C31 H58 Cl2 N2 O3 S,C31 H58 Cl2 N2 O3 S,606.3391,14.30003,0.724223518,0.685645226,0.767831487,0.699833223,0.694237565,0.740213173,0.761044648,0.730742508,0.720864114,0.742527258,0.773339952,0.655987792,0.758203941,0.71303711
10911,C37 H70 O6,Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate,609.5169,9.543975,0.778537492,0.99381541,0.538933858,0.763998158,0.612835577,1.046328632,0.597865275,0.34298738,0.455461786,0.208807387,0.422505558,0.210910332,0.549384959,0.209915257
10912,C25 H45 N O2,Type IV cyanolipid eicosanoyl ester,391.3443,9.546998,1.285742607,1.258226555,1.335381134,1.372763901,1.239285094,1.161080973,1.399618884,0.813008866,0.835805311,0.785813107,0.843826511,0.766174957,0.85174141,0.788036567
10913,C32 H61 O10 P,PG(14:1(9Z)/12:0) Esi+9.087999,636.4039,9.087999,0.363615243,0.523518912,0.114904071,0.323426844,0.338031931,0.523669197,0.277137208,0.14766721,0.26531109,0.007320124,0.164084628,0.102022166,0.274455338,0.065922233
10914,C26 H43 N O6,Sodium glycocholate Esi+8.682994,465.3081,8.682994,0.092878903,0.174197199,0.039721042,0.215447531,0.016664491,0.322674969,0.025534501,-0.168806698,-0.302213047,-0.009655264,-0.280121925,0.006393574,-0.38647271,-0.028469401
10915,C10 H5 N O17 P S2,C10 H5 N O17 P S2 Esi+13.761976 :1,505.8737,13.761976,0.406717765,0.516849665,0.047833591,0.451155213,0.274367871,0.305143307,0.381092076,-0.145185414,-0.225881996,-0.048915808,-0.137805073,-0.16957775,-0.101523721,-0.173335716
10916,C29 H43 N O4,17-phenyl trinor PGF2? cyclohexyl amide Esi+10.56201,469.3247,10.56201,0.836670288,0.825674691,0.867061411,0.923940332,0.785819337,0.765658973,0.851709007,-0.659151679,-0.607327504,-0.72097701,-0.57008088,-0.809093338,-0.536035221,-0.738529396
10917,C33 H58 O10,Antibiotic X 14889C Esi+13.56598,636.3847,13.56598,0.306172028,0.109505193,0.601135479,0.278873902,0.283697638,0.15412647,0.472706053,0.406106445,0.172865545,0.684358747,0.404060386,0.398957313,0.230875353,0.519084386
10918,C28 H7 N6 O15 P,C28 H7 N6 O15 P Esi+13.770997,697.9704,13.770997,1.752318116,1.88981511,1.591523998,1.736543777,1.822514417,1.696652034,1.830807313,1.68442795,1.869451946,1.463697569,1.710866732,1.625825499,1.684303527,1.68450817
10919,C27 H53 N4 O9 P,C27 H53 N4 O9 P,608.3551,13.956036,0.069008904,0.234248701,0.246344391,0.006791911,0.180294095,0.12740544,0.165839298,-0.042923562,-0.19943287,0.143789297,0.03072082,-0.14405436,0.057480241,-0.107657593
10920,C39 H63 N O10,beta1-Chaconine Esi+13.664005,704.4333,13.664005,0.837091523,1.153881393,0.141561045,0.729500541,0.735627472,1.011268618,0.643108056,-0.439223976,-0.683706897,-0.147560141,-0.406016028,-0.432009417,-0.629834488,-0.316330357
10921,C29 H46 N13,C29 H46 N13 Esi+15.097966,574.3831,15.097966,1.00013437,0.989352428,0.872595152,0.887271747,1.044411605,0.823587955,0.966293918,-0.806408687,-0.856666575,-0.746451908,-0.693164097,-0.963776713,-0.630530826,-0.919803624
10922,C25 H42,"3Z,6Z,9Z,12Z,15Z-Pentacosapentaene Esi+13.010009",359.3522,13.010009,0.574288478,0.613055491,0.424273397,0.533387441,0.553836333,0.459882384,0.59702543,-0.308531201,-0.36855519,-0.236923634,-0.264946859,-0.370441753,-0.251667303,-0.34519345
10923,C17 H35 N8 O4 P,C17 H35 N8 O4 P,446.2505,9.176018,0.594238315,0.42430248,0.813443827,0.425978492,0.621574875,0.32983302,0.723233984,-0.673051634,-0.485706828,-0.896550701,-0.606404215,-0.725894812,-0.447057575,-0.81875833
10924,C47 H81 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)) Esi+14.20502",800.539,14.20502,0.004164338,0.290859423,0.409958679,0.028283073,0.043455081,0.09677933,0.016490829,0.156400023,-0.121535439,0.487972153,0.172286553,0.114541379,0.249588706,0.096317846
10925,C42 H79 N O8 P,"PC(16:1(7Z)/18:2(9Z,12Z))[U] Esi+14.413023",773.5834,14.413023,0.165947395,0.142895423,0.070497776,0.317164449,0.089776523,0.026493795,0.157018944,-0.068388063,-0.083686013,-0.050137876,-0.122329295,-0.010027205,0.027126194,-0.129969623
10926,C12 H20 O4,5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid Esi+10.333007,228.1362,10.333007,0.479183519,0.380843436,0.572815376,0.475480253,0.413483571,0.529891476,0.462770813,0.391229541,0.389362821,0.393456504,0.456925331,0.292654361,0.48172275,0.332885235
10927,C29 H57 N O10 P,PC(16:0/5:0(COOH)) Esi+13.385009 :1,610.369,13.385009,1.135860859,1.036621353,1.033534033,1.121791985,0.962504818,1.020115699,1.079545635,-2.010481023,-2.152040231,-1.841603372,-2.004277392,-2.021292796,-2.101249247,-1.951959406
10928,C41 H68 O12,Melilotoside B Esi+12.875981,752.4736,12.875981,1.381606455,1.401634039,1.204753205,1.384366924,1.193795422,1.294454572,1.366589532,1.302023317,1.435116417,1.143245583,1.342539406,1.223476695,1.296181651,1.305789654
10929,C30 H63 N4 O3 S4,C30 H63 N4 O3 S4,655.3782,12.832016,1.049463685,0.6457168,1.414332055,1.073001637,1.00278266,0.588185691,1.265788097,0.965046609,0.728095698,1.24772489,0.943459572,1.065752419,0.704844862,1.132808262
10930,C20 H53 Cl2 N16 O3 P,C20 H53 Cl2 N16 O3 P,664.3436,12.766025,0.342179946,0.180064661,0.550245327,0.547544894,0.11242166,0.560999504,0.14655498,0.32911317,0.187054179,0.498587055,0.463163691,0.137272455,0.490903536,0.224800961
10931,C29 H36 O4 S,C29 H36 O4 S,480.234,9.642977,1.323741231,1.357185227,1.299776637,1.428446575,1.128815851,1.476936526,1.247607052,1.377487928,1.305228193,1.463692525,1.477910304,1.215367898,1.527125356,1.281011166
10932,C23 H38 O6,Sterol 3-beta-D-glucoside Esi+12.1310215,410.2634,12.1310215,2.363164582,2.168010526,2.537434569,2.229981685,2.52048983,2.147665621,2.492642013,3.203337882,2.962746747,3.490358884,3.053713822,3.388282691,2.960924718,3.35963058
10933,C27 H42 F2 O2,"24,24-difluoro-25-hydroxyvitamin D3 / 24,24-difluoro-25-hydroxycholecalciferol Esi+9.821023",435.3087,9.821023,0.482172086,0.593501188,0.188057563,0.420270834,0.470449699,0.395605363,0.435657141,-0.223114485,-0.370357393,-0.047456279,-0.192676079,-0.275242247,-0.206441126,-0.233864413
10934,C27 H26 O5,"2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate",452.1612,11.782977,0.007258333,0.041126204,0.141353311,0.188759868,0.125297602,0.002644819,0.102321153,0.002724136,-0.03170117,0.043792923,0.040530086,-0.057304326,-0.035925217,0.027642798
10935,C23 H36 N2 O,C23 H36 N2 O Esi+12.391032,356.2813,12.391032,0.929868128,1.162732473,0.682410462,0.897638269,0.990494108,1.198799816,0.872353529,-0.284773112,-0.376226631,-0.175670667,-0.268992336,-0.285869736,-0.318630866,-0.26294377
10936,C27 H56 N5 O2,C27 H56 N5 O2,482.444,13.496022,1.784510927,1.893862789,1.61347309,1.665072223,2.034149607,2.0228511,1.807765095,-0.688639959,-0.801788923,-0.553655229,-0.655751231,-0.742453081,-0.746666444,-0.651228146
10937,C41 H56 O2,Vitamin K2 Esi+10.006009,602.4099,10.006009,0.789249028,0.838145176,0.578452887,0.801058123,0.666837414,0.837635948,0.715222839,-0.594247612,-0.647432653,-0.530798792,-0.567904915,-0.598730464,-0.612353599,-0.582574015
10938,C35 H44 N2 O9,Dihydro Isorescinnamine Esi+15.108953,636.2997,15.108953,0.834660319,1.068255393,0.509222552,0.920881298,0.644781944,1.008851994,0.700241856,-0.431909317,-0.593646618,-0.238959554,-0.513902425,-0.302426058,-0.539607519,-0.362472318
10939,C47 H59 N O P,C47 H59 N O P,684.4331,15.093995,1.495709409,1.665030007,1.101146401,1.538281195,1.391850753,1.747091938,1.284252054,-0.89622316,-1.045756681,-0.717832293,-0.925173912,-0.843181594,-1.05241312,-0.795521739
10940,C22 H48 N9 O2,C22 H48 N9 O2,470.3948,15.278025,1.612016358,1.770639601,1.478883336,1.790920246,1.512739537,1.826633996,1.511758243,-1.451499593,-1.611745269,-1.260329314,-1.500788753,-1.38533122,-1.576193668,-1.371104729
10941,C18 H30 N O2,C18 H30 N O2,292.2253,9.451009,0.078604976,0.027290979,0.298174955,0.173426204,0.063216437,0.089585791,0.116594203,-0.019161055,-0.089923362,0.065257136,0.053631133,-0.122420006,0.015146527,-0.041280417
10942,C16 H24 N2 O,Ropinirole Esi+7.3339906,260.1885,7.3339906,0.239111247,0.436693435,0.018780531,0.267548868,0.177171987,0.336439589,0.175425751,-0.091459375,-0.142238451,-0.030880828,-0.102265714,-0.080069007,-0.11732427,-0.074783325
10943,C5 H9 Cl2 N2 O3,C5 H9 Cl2 N2 O3,214.9991,1.3049959,0.222697318,0.155395776,0.355772852,0.269104145,0.148745693,0.266421935,0.203649376,0.10437322,0.034850621,0.18731246,0.115087573,0.089959737,0.098090933,0.108423642
10944,C15 H28 N6 O7,Thr Glu Arg Esi+6.04501,404.2014,6.04501,0.519492345,0.136088466,0.863968132,0.397861121,0.615827861,0.271716763,0.608061712,-0.329569299,-0.107034649,-0.595049233,-0.227050926,-0.485842132,-0.165800396,-0.435157145
10945,C40 H66 O14,Torvoside E Esi+10.987038,792.4275,10.987038,1.222416014,0.91146261,1.523633446,1.146093556,1.278878627,1.058259396,1.331589851,0.558203679,0.447730821,0.689995861,0.574281248,0.532956768,0.528182743,0.577559283
10946,C25 H48 N6 O2,C25 H48 N6 O2 Esi+15.969975,464.3856,15.969975,0.883303904,0.851912974,0.87645156,0.767885552,0.93046524,0.871235081,0.806870188,-0.876325082,-0.818886309,-0.94484853,-0.809207787,-0.963492388,-0.941074685,-0.834578628
10947,C16 H27 N8,C16 H27 N8 Esi+7.416009 :1,331.2222,7.416009,0.890709683,1.158315004,0.535740656,0.932946391,0.799514237,1.125791583,0.75195041,0.60291218,0.843886074,0.315434553,0.642204346,0.542594447,0.794280295,0.479530106
10948,C17 H36 O6,C17 H36 O6 Esi+9.431991,336.2493,9.431991,0.811876776,0.759377449,0.888879502,0.62593113,0.988090901,0.965340367,0.712458832,-0.835023258,-0.691645992,-1.006069822,-0.624643057,-1.157109913,-0.841114363,-0.831096099
10949,C26 H46 O4,C26 H46 O4 Esi+14.746028,422.3393,14.746028,1.162135927,1.406739371,0.791945262,1.10209691,1.141532525,1.043730242,1.161213014,-0.710406765,-0.898146505,-0.486436549,-0.589445877,-0.874583961,-0.599664001,-0.781806705
10950,C7 H13 N O,1-(1-Pyrrolidinyl)-2-propanone Esi+0.87699914,127.0994,0.87699914,0.340646,0.559216961,0.017724571,0.481465285,0.127336629,0.472045806,0.190395075,-0.263759035,-0.510635517,0.030760277,-0.311023174,-0.128856246,-0.392674316,-0.180642603
10951,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+15.23603",522.4266,15.23603,1.073562373,1.100062972,0.922693286,1.227950175,0.898591811,1.112610962,0.984605579,-0.658167099,-0.749844915,-0.548797073,-0.674269619,-0.636671552,-0.706231687,-0.627178089
10952,C33 H36 N4 O4,Canthiumine Esi+12.917983,569.3012,12.917983,0.121921342,0.033158153,0.342657076,0.120736492,0.215643819,0.069129287,0.325906098,0.10158746,-0.030792511,0.259514443,0.076202202,0.160296206,-0.079877338,0.218584501
10953,C45 H79 O12 P,"PI(P-16:0/20:4(5Z,8Z,11Z,14Z)) Esi+14.374018",864.5227,14.374018,0.323086285,0.30309302,0.253399247,0.31169624,0.270711184,0.462907956,0.227740786,0.215305312,0.226423673,0.202041302,0.240575859,0.169907205,0.330396221,0.141101962
10954,C40 H66 N6 O11,C40 H66 N6 O11,806.4788,14.150952,0.342625229,0.191950452,0.683032064,0.440077346,0.303586975,0.422772557,0.355262878,0.393092914,0.26752123,0.542897729,0.452078062,0.299158343,0.408181144,0.383364976
10955,C35 H52 O8,Phorbol 12-tiglate 13-decanoate Esi+14.009019,599.3629,14.009019,1.342602668,1.66172497,0.866134961,1.433392009,1.448699286,1.588008261,1.318725448,-0.78189157,-1.114609789,-0.384964572,-0.783440282,-0.779283711,-0.873628729,-0.722745244
10956,C17 H29 N O4,C17 H29 N O4 Esi+7.625,311.2088,7.625,0.589399426,0.571252832,0.584947155,0.614511171,0.660888186,0.633185704,0.567948781,0.447027332,0.491396542,0.394095643,0.465807304,0.418368359,0.485447175,0.422256645
10957,C42 H74 O16,Notoginsenoside J Esi+14.26703,834.4936,14.26703,1.130651748,1.154977534,0.921366928,1.08910661,1.060815589,0.956212844,1.116483331,-0.375060816,-0.418689255,-0.323012854,-0.363961867,-0.40203593,-0.374792243,-0.375233975
10958,<none>,<none> Esi+10.955006,602.8457,10.955006,1.379759385,1.218646802,1.59071837,1.423959124,1.458140016,1.30828828,1.474224724,0.669908576,0.599963752,0.753351525,0.701149062,0.627732145,0.649886651,0.682817449
10959,C28 H21 N5 O14 S4,C.I. Food Black 1,800.9836,12.066013,1.802482188,1.784582686,1.670945677,1.871029738,1.486043211,1.851372647,1.633076567,-2.01362046,-2.12657552,-1.878867054,-2.179940336,-1.762890983,-2.192361401,-1.898379589
10960,C9 H21 N O3 P,C9 H21 N O3 P Esi+6.588991,222.1252,6.588991,0.467146896,0.49279506,0.173655011,0.634675498,0.232291372,0.417086123,0.46498477,-0.758455386,-1.029737183,-0.434820963,-1.006403019,-0.460592063,-0.794959977,-0.734919532
10961,C21 H40 O,"9R,10S-Epoxy-6Z-heneicosene Esi+12.202964",325.3342,12.202964,0.144490958,0.20552104,0.719407299,0.28513811,0.117502406,0.023071805,0.319030045,0.035102643,-0.059357651,0.147792117,0.058246078,0.023559274,-0.017444571,0.068981768
10962,C10 H13 N4 O7 P,Purine mononucleotide,349.0788,3.4229932,1.903501248,1.852591274,2.008373044,1.823532991,2.186190043,1.824413681,2.023117362,0.993958401,1.042848089,0.935633861,0.969356797,1.052401277,0.994254514,0.993767486
10963,C31 H39 N2 O,C31 H39 N2 O,455.303,14.431953,0.887900153,0.791869132,0.964588952,0.714570867,1.015937724,0.61936948,0.984611224,-0.198742625,-0.163954081,-0.240244748,-0.168658528,-0.245541945,-0.138289836,-0.237718766
10964,C34 H38 N2,C34 H38 N2,474.2989,12.939962,2.192220221,2.201914347,2.079824273,2.162112702,2.187223123,2.157406559,2.154651726,2.163251895,2.092792615,2.247308579,2.078611385,2.268275201,2.030028977,2.249145618
10965,C20 H34 O6,"15(R),19(R)-hydroxy PGF2? Esi+13.315979",370.2355,13.315979,1.878115707,1.600836612,2.20083132,1.798025747,2.039692045,1.718400166,2.016640959,1.702093077,1.477779171,1.969695632,1.592457997,1.863906613,1.507620549,1.82747668
10966,C32 H48 O6,"(24E)-3alpha-Acetoxy-15alpha,22S-dihydroxylanosta-7,9(11),24-trien-26-oic acid Esi+14.058035",528.3427,14.058035,1.098496717,0.891506116,1.22489623,1.046199773,1.04861833,1.001464006,1.116503257,1.106082511,0.989356278,1.245334859,1.103818593,1.150094922,1.019365069,1.161992441
10967,C18 H27 N8 O3,C18 H27 N8 O3,401.2158,11.048983,1.284610359,1.035163018,1.660693823,1.517615851,1.10076542,1.27560931,1.31160589,0.869007934,0.660292172,1.118002177,0.905581451,0.829502348,0.844354529,0.884902893
10968,C34 H57 N O5 P S,C34 H57 N O5 P S Esi+14.406005,622.3717,14.406005,0.511434774,0.334728923,0.794719953,0.557678414,0.410756636,0.711561493,0.405116447,0.479389016,0.359974828,0.621848047,0.557111621,0.354898847,0.630041581,0.382257756
10969,C24 H46 O,17-tetracosenal,367.3808,13.094975,0.520702807,0.822919691,0.020421986,0.437643054,0.438287314,0.780350715,0.259930216,-0.161241417,-0.273866583,-0.026881571,-0.141045148,-0.16216822,-0.266013423,-0.093691045
10970,C19 H26 O8,Cyclocalopin B Esi+8.506983,382.1605,8.506983,0.129929911,0.093849519,0.118708229,0.165224353,0.104601752,0.090404356,0.144743192,-0.05248813,-0.065633604,-0.036805811,-0.038423719,-0.067752543,-0.00383493,-0.083856641
10971,C20 H28 N16 O4 S4,C20 H28 N16 O4 S4,684.1362,13.480973,0.547097802,0.555172538,0.235959891,0.456312661,0.381627103,0.441262775,0.478459043,-0.246693368,-0.358382777,-0.113449861,-0.225931222,-0.29715011,-0.239220606,-0.251511333
10972,C39 H66 O13,Alliosterol 1-rhamnoside 16-galactoside Esi+13.571029,764.4314,13.571029,0.14969236,0.000244413,0.315944808,0.14307577,0.164902893,0.149623278,0.140752836,0.216665894,0.102427952,0.352949755,0.257302784,0.157955162,0.15865701,0.25406636
10973,C23 H42 N7 O2,C23 H42 N7 O2,448.3395,10.619996,1.603637051,1.511681892,1.495715756,1.641715821,1.497366592,1.585750814,1.51087744,1.917944657,1.893607938,1.946977935,1.990192289,1.877983233,1.927040948,1.912079942
10974,C22 H42 O6,Sorbitan palmitate Esi+12.769026,424.2795,12.769026,2.119094581,1.960215468,2.299226379,2.102178083,2.238133246,2.108231998,2.137893916,1.923992987,1.708336378,2.181267538,1.643498018,2.261108415,1.843728539,1.975742433
10975,C37 H70 N O10 P,PS(15:0/16:1(9Z)) Esi+13.864991,736.4923,13.864991,0.314996755,0.281308121,0.315220354,0.221887434,0.459844799,0.207550371,0.333098613,-0.15497692,-0.164399629,-0.143735793,-0.067894434,-0.302873291,-0.080589977,-0.202936922
10976,C28 H40 O8,Ixocarpalactone A Esi+11.347998,526.254,11.347998,1.63482609,1.641505897,1.687283495,1.617662707,1.699651631,1.708955129,1.636156679,1.724527341,1.635670499,1.830531994,1.727457798,1.698924285,1.750345964,1.707881123
10977,C19 H37 N O4,N-palmitoyl serine Esi+9.923993,343.2717,9.923993,0.092862811,0.192952506,0.038446514,0.204311456,0.110190819,0.223280849,0.058806496,-0.11978006,-0.142360685,-0.092841771,-0.192127998,-0.007513867,-0.199581976,-0.068328824
10978,C35 H54 O6,Hericenone F Esi+9.133029,587.4237,9.133029,0.364455424,0.321591298,0.370421819,0.292482043,0.355483626,0.250522764,0.355643484,-0.412913527,-0.352856674,-0.484560298,-0.34525168,-0.482360246,-0.275088876,-0.501774157
10979,C27 H52 O5,DG(12:0/12:0/0:0)[iso2] Esi+13.8830385,456.3806,13.8830385,0.839691447,0.890541949,0.612697774,0.753097874,0.730240379,0.703392925,0.790678205,-0.419873614,-0.582301684,-0.226099776,-0.424177974,-0.412318297,-0.410344806,-0.426017187
10980,<none>,<none> Esi+13.480973 :1,606.7563,13.480973,0.406582094,0.319966323,0.613759074,0.440208115,0.488488668,0.483251182,0.433089237,0.23630675,0.212121818,0.26515895,0.246914862,0.202136322,0.260472937,0.220725919
10981,C36 H56 O14,digitalin,712.3657,12.00601,1.967926475,1.801053167,2.246695292,1.980342008,2.091565361,1.9353578,2.075434443,1.917404481,1.702411078,2.17388784,1.805850228,2.084685295,1.736767362,2.033867887
10982,C27 H54 N4 O4 S2,C27 H54 N4 O4 S2,562.355,15.319031,0.707971533,0.703993237,0.537402724,0.89234835,0.40748187,0.739276523,0.568925108,-0.763557487,-0.847716292,-0.663157509,-0.955602933,-0.481280826,-0.980206225,-0.623876064
10983,C23 H3 N2 O17 P,C23 H3 N2 O17 P Esi+14.16204 :1,609.9172,14.16204,1.832652843,1.892661468,1.824700296,1.776315759,1.952502293,1.881291648,1.879242125,1.140036493,1.201990041,1.066126998,1.14236724,1.119635236,1.205002343,1.098150617
10984,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+9.303978,418.1628,9.303978,1.390203788,1.369036094,1.417401604,1.425618153,1.21495454,1.178919362,1.45772722,-0.842294003,-0.917861859,-0.752142876,-0.910484894,-0.754273758,-0.874250661,-0.821690368
10985,C10 H30 N9 O2 S,C10 H30 N9 O2 S,340.2316,11.494002,0.729710957,0.817123012,0.494028373,0.73546809,0.638808402,0.880526125,0.590787289,-0.319851214,-0.374064895,-0.255175245,-0.308006657,-0.336165231,-0.383093671,-0.279076473
10986,C52 H107 N4 O S5,C52 H107 N4 O S5 Esi+14.309026 :2,963.7046,14.309026,0.231283928,0.20905818,0.150940787,0.305585516,0.064863866,0.016030386,0.29830698,-0.061981085,-0.073600423,-0.048119417,-0.045483359,-0.099539262,0.069526414,-0.146768814
10987,C29 H24 O6,Dichamanetin Esi+10.928974,468.1558,10.928974,0.760794234,0.784196905,0.607672492,0.546210005,0.936185171,0.804111167,0.701026168,-0.197754947,-0.235503648,-0.152721408,-0.150685526,-0.265121351,-0.216784753,-0.185485729
10988,<none>,<none> Esi+5.768,535.7242,5.768,1.60878675,1.620703446,1.388671646,1.378658894,1.77904157,1.227633569,1.746649733,1.167885702,1.25352118,1.065724079,1.036179768,1.386205008,0.977024453,1.290940981
10989,C52 H93 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/21:0) Esi+13.604003",973.6646,13.604003,0.781241636,0.705864367,0.646675478,0.82670712,0.443279632,0.596516794,0.708183407,-0.335688317,-0.347647158,-0.32142163,-0.355019643,-0.334686469,-0.263832601,-0.382016344
10990,C47 H84 N O10 P,"PS(22:4(7Z,10Z,13Z,16Z)/19:0) Esi+14.2419615",870.6049,14.2419615,0.955959867,1.042971192,0.631494871,0.792582837,0.9284859,0.759426612,0.911680748,-0.677896291,-0.818344433,-0.510344123,-0.668164041,-0.701346379,-0.656254999,-0.69184923
10991,C27 H39 N O4,N-(?-Linolenoyl) Tyrosine Esi+14.585989,441.2875,14.585989,1.660296378,1.792161515,1.576996669,1.932597393,1.463145425,1.872475548,1.561890682,-0.950639456,-1.012298135,-0.877081734,-1.040042134,-0.822572501,-0.980425791,-0.931435109
10992,C26 H38 O7,10-Desacetyltaxuyunnanin C,484.2473,11.152012,1.117523274,0.81807138,1.407367275,1.063807665,1.039346104,1.027717968,1.086530553,0.557541405,0.448647679,0.68744971,0.568897496,0.530746001,0.544729046,0.565802005
10993,C31 H46 O7,11-Ketorockogenin acetate Esi+9.149013,547.3484,9.149013,0.22116154,0.304692865,0.089517578,0.031122188,0.387630628,0.009791755,0.298896692,0.058976365,0.184174386,-0.090382677,-0.008640048,0.130837026,0.018858852,0.084841604
10994,C22 H36 O7,Grayanotoxin I Esi+10.819984,412.2458,10.819984,0.573835581,0.451626087,0.734032441,0.546003717,0.689488428,0.370391875,0.616741375,-0.369991663,-0.317169184,-0.433007954,-0.251610123,-0.544054445,-0.24614012,-0.449843315
10995,C12 H16 O3,(4-tert-Butyl-phenoxy)-acetic acid Esi+7.484007,208.1109,7.484007,0.315889744,0.292480018,0.223245321,0.207178463,0.412076748,0.338670661,0.2412066,0.194373366,0.214051576,0.170897607,0.17648799,0.226245669,0.231621813,0.17035792
10996,C32 H66 N8 O8 P,C32 H66 N8 O8 P,721.4743,12.498028,1.408195929,1.402845872,1.333742741,1.55319492,1.113497026,1.412528312,1.341680467,0.969042458,1.065038502,0.854520861,1.086795842,0.776110385,1.067191448,0.905762188
10997,C30 H61 N8 O2,C30 H61 N8 O2,565.4906,9.547009,0.348848283,0.508067123,0.0497059,0.391415724,0.092746086,0.707853456,0.089739256,0.132671274,0.242816282,0.001270211,0.219091547,-0.010317444,0.33940333,-0.0006165
10998,C15 H26 O3,formyl 7-oxo-11E-tetradecenoate Esi+7.473015,254.1854,7.473015,1.47283381,1.512225423,1.526102635,1.366596099,1.802982021,1.420510256,1.640004877,0.995993118,0.935170469,1.068553471,0.837516085,1.225736973,0.811790534,1.11475531
10999,C12 H22 O5,Dibutyl malate Esi+6.9739995,246.1505,6.9739995,0.377582187,0.411810521,0.169339426,0.197619116,0.439734569,0.217642694,0.397103454,-0.764107059,-0.898089467,-0.604268398,-0.614002246,-0.915613677,-0.580013347,-0.882799058
11000,C18 H28 O5,Cibaric acid Esi+11.129978,302.2086,11.129978,1.636208742,1.319055436,2.039341904,1.487094392,1.755495511,1.417174666,1.822947645,0.802047931,0.659559435,0.972034206,0.744292842,0.868482377,0.731620395,0.847455158
11001,C25 H48 O,"(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol",381.3966,13.290023,0.006402406,0.384424147,0.621336397,0.193662193,0.002998023,0.239328581,0.26222011,-0.010910246,-0.126382646,0.126846302,0.01794633,-0.019924596,-0.100302656,0.046724335
11002,C21 H40 N2,C21 H40 N2,320.3191,13.326976,0.225467791,0.057818416,0.369176122,0.116387017,0.361586636,0.079324847,0.395927293,0.166212993,0.078289022,0.271104748,0.114186672,0.249637712,0.004456859,0.270503132
11003,C28 H54 O4 P,C28 H54 O4 P,485.3757,16.214048,1.811589861,1.905247146,1.54057931,1.841968143,1.692465536,1.800769259,1.77046242,-1.23503422,-1.412532707,-1.023281639,-1.273397721,-1.180903591,-1.211817356,-1.250002987
11004,C16 H26 O5,Tetranor-PGD1 Esi+10.243989,298.1763,10.243989,0.166059355,0.276349147,0.021883402,0.209541687,0.116703559,0.281695649,0.087453672,0.261486636,0.346198755,0.160426563,0.291517025,0.207769044,0.361470789,0.197023168
11005,C34 H57 N18 O P,C34 H57 N18 O P,764.4691,14.791993,0.821156729,0.667005332,0.788395943,0.663752064,0.8468565,0.443152773,0.899767167,-0.516990465,-0.460219661,-0.584717038,-0.404176553,-0.688026068,-0.277752384,-0.67123607
11006,C28 H48 N4 O4 S,13(S)-HODE-biotin Esi+13.62998,536.3329,13.62998,1.839033957,1.710824464,1.901850036,1.802314092,1.809939513,1.73193633,1.876939196,1.659469456,1.582102163,1.75176728,1.594997365,1.745319915,1.595587017,1.700656819
11007,C40 H54 O,"3-cis-Hydroxy-b,e-Caroten-3'-one Esi+16.370047",550.4191,16.370047,0.659649289,0.630814434,0.624436235,0.83517303,0.518498401,0.697970339,0.582599085,-0.533243521,-0.500506545,-0.572298158,-0.525949779,-0.565548396,-0.484051188,-0.56495963
11008,C15 H22 O5,Bisbynin Esi+8.943978,282.1458,8.943978,1.626549413,1.408252721,1.821149123,1.524451749,1.726958055,1.3431575,1.785972779,1.35395239,1.167150257,1.576804058,1.255079312,1.510999339,1.037595135,1.557919568
11009,C54 H76 N2 O10,Ritterazine A Esi+14.165024,934.5261,14.165024,0.182784556,0.051046831,0.394133646,0.169956412,0.131606384,0.414238432,0.036423319,0.136836999,0.04788534,0.242954767,0.171727308,0.065501393,0.23790552,0.0716744
11010,C33 H71 N8 O3 P,C33 H71 N8 O3 P,658.5388,10.623011,2.239340302,2.124208766,2.343052032,2.335494153,2.18676472,2.284528405,2.22078118,1.842650727,1.74252744,1.962096051,1.840724505,1.847113329,1.864633875,1.828477381
11011,C22 H30 O2 S,Farnesyl Thiosalicylic Acid Esi+8.936013,358.2014,8.936013,0.052186483,0.204326348,0.124412123,0.190596449,0.171090577,0.175808828,0.060161887,-0.027483591,0.091786934,-0.169771236,0.042411472,-0.147388695,0.069625312,-0.090093279
11012,C46 H94 N3 O8 P S2,C46 H94 N3 O8 P S2,911.6204,13.989012,0.974882851,0.958282477,0.954307667,0.909362731,0.942586995,1.01693521,0.949782823,0.603281077,0.614328502,0.590101693,0.627697928,0.542748163,0.692542541,0.545730923
11013,C22 H36 O5,Dihomo-PGI2 Esi+11.07799,380.2522,11.07799,0.523904966,0.664356858,0.321924747,0.550494014,0.352962178,0.722232452,0.377770997,0.396862905,0.494227198,0.280709012,0.44532114,0.32455488,0.618270665,0.254113165
11014,C23 H35 N7 O4,Ile Arg Trp Esi+11.196026,495.253,11.196026,1.403885576,1.531237157,1.281082503,1.518055323,1.288278275,1.74619978,1.245093817,1.586975896,1.652266209,1.509085697,1.700000544,1.390142959,1.860068353,1.410903127
11015,C49 H91 O13 P,"PI(18:0/22:2(13Z,16Z)) Esi+14.555996",917.6079,14.555996,1.903395358,1.862628568,1.680087564,1.851208752,1.796445955,1.796417972,1.85628648,-1.532317641,-1.683265892,-1.352239025,-1.453471491,-1.625136462,-1.528417509,-1.5348322
11016,C23 H49 N8 P,C23 H49 N8 P Esi+15.221974,468.3803,15.221974,1.074732577,1.228807567,0.720041495,1.07509161,1.016186423,1.074525592,1.00040463,-0.688984887,-0.863023502,-0.481359872,-0.569605473,-0.870944461,-0.578102797,-0.760474655
11017,C23 H32 N4 O4,Nummularine F Esi+10.02198,428.2409,10.02198,0.368469351,0.083650741,0.638593332,0.180494313,0.468798959,0.23182614,0.424861426,0.353989665,0.120977392,0.631969219,0.28137694,0.424316493,0.281635201,0.400639253
11018,C21 H39 Cl O2 S,C21 H39 Cl O2 S,390.2304,6.7719827,0.901502432,1.173197617,0.547304338,0.990907346,0.795597214,0.909802899,0.894702386,-0.987922006,-1.347217302,-0.559289022,-1.012459775,-0.912095659,-1.020149349,-0.967143851
11019,C45 H86 N O10 P,PS(22:1(11Z)/17:0) Esi+13.43898,831.5888,13.43898,0.234624817,0.252894493,0.060656953,0.189628958,0.198972189,0.29388861,0.06139468,-0.074039838,-0.146011677,0.011821302,-0.068620647,-0.097746115,-0.163027363,-0.016666303
11020,C47 H83 O10 P,"PG(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) Esi+13.971986",860.5638,13.971986,0.009386034,0.121975592,0.128472177,0.016916999,0.013784618,0.076550604,0.043328352,0.102383454,0.018893064,0.201986023,0.115928251,0.061964441,0.097582474,0.105478822
11021,C13 H18 O4,Benzyl b-L-arabinopyranoside Esi+8.493017,238.1206,8.493017,0.083570052,0.48348071,0.350486179,0.326392699,0.153883095,0.63439134,0.248507014,-0.073796875,-0.256570082,0.144248355,-0.159751246,0.055852715,-0.309889515,0.078420749
11022,C32 H44 N20 O,C32 H44 N20 O,724.4004,13.090024,1.021105777,0.947459663,1.127199523,1.065603637,0.972725502,1.094699119,0.991437236,1.764435704,1.665003533,1.883056541,1.904448941,1.539746511,1.865001341,1.699597333
11023,C36 H69 O7 P,PA(P-18:0/15:1(9Z)),643.4651,9.550022,1.653542991,1.694452819,1.763233279,1.895442594,1.59909553,1.895432133,1.63605561,0.776604876,0.733486508,0.828044332,0.771528403,0.766504509,0.834908334,0.739014488
11024,C34 H50 O12,Thapsigargin Esi+13.897968,650.3292,13.897968,1.381072548,1.192826829,1.515147321,1.302025028,1.395157863,1.360457356,1.351568154,0.925199798,0.885653318,0.972378054,0.926894213,0.930501289,0.950242811,0.909053645
11025,C21 H41 N8 O,C21 H41 N8 O,421.3411,15.012958,1.287519397,1.523250086,0.842053431,1.239340443,1.146452318,1.292781632,1.163602915,-0.570274246,-0.728263224,-0.381796167,-0.564065068,-0.56808427,-0.63134737,-0.530898152
11026,C17 H19 N O4,noroxycodone Esi+7.7729836,301.1317,7.7729836,0.018778991,0.140703702,0.205938846,0.10531058,0.060057257,0.085260394,0.074363929,0.226687926,0.073752278,0.40913747,0.292301154,0.110786432,0.167017837,0.26515943
11027,C20 H32 O8,Cincassiol B Esi+9.041014,400.2102,9.041014,0.343284136,0.304099945,0.322794843,0.362013378,0.20202582,0.704419502,0.095264454,0.216412056,0.224170756,0.207156063,0.249383747,0.172006016,0.454591517,0.062848983
11028,C29 H57 O12 P,PI(20:0/0:0) Esi+13.18799,628.3758,13.18799,1.454779844,1.718267403,1.270289451,1.48543476,1.596188109,1.659531569,1.502594227,-1.497521461,-1.848021907,-1.079380578,-1.422617176,-1.530922978,-1.70408013,-1.364345477
11029,C39 H56 N14 O2,C39 H56 N14 O2,750.4607,13.967026,0.415991556,0.139111955,0.606476796,0.323910311,0.471471478,0.402872016,0.365487658,0.451599937,0.300059378,0.632385165,0.452760537,0.508736166,0.531777736,0.399906355
11030,C18 H31 N O,Crucigasterin 277 Esi+10.90097,277.2396,10.90097,0.529384899,0.486254856,0.597818901,0.375564835,0.592466272,0.648300337,0.497149637,-0.198982588,-0.206785839,-0.189673446,-0.203408383,-0.175603656,-0.235776485,-0.175260206
11031,C17 H28 N4 O15 P2,"UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine",612.0879,12.760988,0.332210627,0.208208112,0.603349669,0.407774315,0.342835855,0.331846437,0.404039893,0.170502637,0.123422573,0.226668327,0.18351624,0.140698467,0.15576974,0.180001478
11032,C19 H30 N6 O7,C19 H30 N6 O7 Esi+9.512967,454.2182,9.512967,1.208860808,1.225179533,1.14202091,1.147268209,1.207171065,1.361306257,1.120840866,1.743178251,1.845529264,1.621075289,1.811788655,1.619438615,1.975901829,1.593132787
11033,C27 H42 O4,(25R)-3beta-hydroxy-7-oxo-5-cholestenoic acid Esi+12.04499,430.3022,12.04499,0.675924322,0.926576886,0.235377352,0.666842689,0.544830736,0.852356579,0.483478266,-0.760483576,-1.017565892,-0.453788883,-0.734997816,-0.754535011,-0.953926829,-0.635763583
11034,C26 H44 O8,Goshonoside F2 Esi+14.236027,484.3091,14.236027,0.649005218,0.401452756,1.069021903,0.688956388,0.66403103,0.788971935,0.651306458,0.605667939,0.473902378,0.762861941,0.639354474,0.558618915,0.649868353,0.577170303
11035,C15 H28 N7,C15 H28 N7 Esi+7.1540194,306.2387,7.1540194,1.133171914,1.196593604,0.932638344,1.101886625,1.027450994,1.054268919,1.114242964,0.436459904,0.479708166,0.384865487,0.426184287,0.448750433,0.402427066,0.458402129
11036,C30 H35 O17,Peonidin 3-glucoside-5-(6''-acetylglucoside),666.1833,6.396984,0.002172329,0.025009555,0.205566424,0.108643801,0.065641954,0.01397112,0.173592009,-0.016983699,-0.0333504,0.002541488,0.002221733,-0.04618806,-0.029369553,-0.008998083
11037,C43 H69 N O14,Solacauline,822.4578,14.150962,0.750267096,0.756605005,0.743153875,0.853332199,0.541176099,0.735996164,0.684748479,0.504599899,0.516981909,0.489828379,0.602501043,0.351119633,0.531532563,0.487235419
11038,C14 H28 N4 O4,Gly Lys Leu,316.2138,7.93998,0.751042654,0.703116684,0.739722246,0.907961499,0.500693007,0.971808701,0.551817023,-0.676613813,-0.640399776,-0.719816524,-0.803772785,-0.503405542,-0.843238046,-0.569185032
11039,C27 H36 O9,20-acetoxy-clavulone III Esi+9.418974,504.2355,9.418974,0.344532467,0.269780807,0.421896628,0.568299644,0.095802662,0.49799582,0.316193546,0.292101707,0.224451261,0.372807503,0.390849308,0.14608032,0.323927203,0.271582638
11040,C34 H52 O8,25-Hydroxyvitamin D2 25-(beta-glucuronide) Esi+15.876971,588.372,15.876971,2.031039034,2.135015869,1.751887024,1.921942316,2.131427682,2.064155962,1.988558777,-1.314708942,-1.41032244,-1.200643715,-1.25738859,-1.390232475,-1.29179228,-1.329484157
11041,C28 H59 N O6 P,PC(P-20:0/0:0) Esi+14.850031,514.4246,14.850031,1.577967274,1.654987341,1.39479453,1.647548544,1.432694751,1.639201405,1.485715369,-1.377005687,-1.572213737,-1.144125907,-1.410472121,-1.33495694,-1.387096237,-1.370499937
11042,C19 H51 N25 O4 P,C19 H51 N25 O4 P,724.4396,13.754959,0.690389891,0.388133025,0.954309794,0.703110034,0.521177456,0.442736543,0.774473218,0.488285834,0.314912501,0.695117178,0.509511048,0.456348693,0.275616867,0.625401352
11043,C29 H48 O3,Schleicherastatin 5 Esi+14.840032,444.3597,14.840032,1.35718427,1.531925065,1.224739521,1.382309402,1.308292202,1.534722887,1.318932338,-1.254917219,-1.484332374,-0.981228965,-1.289589541,-1.204280833,-1.344073154,-1.197435104
11044,C47 H80 O17,Gynosaponin I Esi+13.881028,933.5699,13.881028,0.068873379,0.125702122,0.129724421,0.008410669,0.131807869,0.069441953,0.03870628,0.067040751,-0.088255238,0.252306141,0.169140927,-0.105157092,0.08865376,0.053106048
11045,C20 H37 F O2,20-fluoro-11Z-eicosenoic acid,327.2669,8.156005,0.469649783,0.74370795,0.031820918,0.56931177,0.277515697,0.876005452,0.175078605,-0.296121813,-0.440490439,-0.123892575,-0.34327068,-0.212361166,-0.436752718,-0.205451887
11046,C18 H32 N2 O,C18 H32 N2 O Esi+10.364992,292.2514,10.364992,0.559750759,0.875936772,0.007399929,0.52487536,0.574651061,0.867172531,0.287783623,-0.129872752,-0.215952349,-0.027181304,-0.125441937,-0.133277522,-0.223441308,-0.069545658
11047,C27 H48 O4,"5beta-Cholestane-3alpha,7alpha,24,25-tetrol Esi+14.413024",436.3552,14.413024,1.074716947,1.174110375,1.047846521,1.159992795,1.057746462,1.38721104,0.971617061,-0.841765186,-1.018698367,-0.630687005,-0.866192858,-0.756120457,-1.03392349,-0.717873648
11048,C27 H44 O5,Asperagenin,448.3157,14.793966,1.674484705,1.701701428,1.515786958,1.678197161,1.608067854,1.746053231,1.552777779,-0.958842439,-1.089169745,-0.803364248,-0.961705402,-0.951988133,-1.010199538,-0.925730625
11049,C21 H29 F O2,"6alpha-Fluoropregn-4-ene-3,20-dione Esi+9.133029",332.2139,9.133029,1.687082257,1.533445688,1.865013582,1.482849707,1.901841545,1.397348741,1.881530933,1.578896568,1.401098051,1.791007079,1.363981038,1.859606393,1.353691442,1.72409461
11050,C44 H81 N O9 P,"PC(16:0/20:4(6E,8Z,11Z,14Z)(5OH[S])) Esi+14.166014",797.558,14.166014,0.509997968,0.488471258,0.558017117,0.688015554,0.32941973,0.59811378,0.434554729,-0.241354706,-0.235141684,-0.248766731,-0.292446747,-0.182953754,-0.33541793,-0.18070868
11051,C35 H50 N8 O10,Hordatine B glucoside,742.3686,15.228024,1.396119479,1.473091384,1.461168139,1.629689276,1.418847038,1.719983157,1.320317267,0.617590113,0.663040787,0.563368257,0.616628832,0.611310783,0.664163299,0.587562664
11052,C41 H68 O12,Melilotoside B Esi+12.893006,752.4735,12.893006,1.106858572,1.209946272,0.888313739,1.23219776,0.82505106,1.145251309,1.048837241,1.049489891,1.224908593,0.840218458,1.150500991,0.890024727,1.134213862,0.994865226
11053,C51 H56 O,C51 H56 O,684.4444,14.212962,0.468403013,0.585887773,0.150638263,0.442797712,0.435768117,0.337368194,0.478688929,-0.297732198,-0.422814924,-0.148510701,-0.276261267,-0.349140854,-0.218200519,-0.349009201
11054,C19 H33 N O P,C19 H33 N O P Esi+8.81201,322.2316,8.81201,0.327041534,0.225934736,0.520289422,0.376661257,0.246255685,0.379888486,0.271841681,-0.264012453,-0.17850988,-0.366015523,-0.287827928,-0.247572218,-0.275748358,-0.256445883
11055,C27 H47 O2 P,C27 H47 O2 P,434.3318,14.556956,1.464169925,1.723634834,1.228932817,1.444866172,1.647974367,1.595092877,1.496663599,-0.914440018,-1.118969232,-0.670440255,-0.789661952,-1.04815748,-0.95478778,-0.88842633
11056,C30 H52 O4,Panaxatriol Esi+14.491962,476.3843,14.491962,1.25142023,1.417159036,0.972280472,1.278222141,1.150777082,1.474132934,1.062877485,-1.137087308,-1.374404542,-0.853972012,-1.121693432,-1.154724777,-1.307647227,-1.027121045
11057,C30 H57 N O3,"Cer(d14:2(4E,6E)/16:0)",496.4611,13.592026,1.318699027,1.427802757,1.058893914,1.134214546,1.527814089,1.319420534,1.258348164,-0.43763998,-0.48329908,-0.383169474,-0.392631616,-0.499684896,-0.45638664,-0.425553317
11058,C23 H25 N3 O6,Trp-Leu-OH Esi+11.5900135,438.1697,11.5900135,1.194483276,0.861922077,1.466454916,0.918364098,1.461333091,1.104199566,1.184508546,1.155479106,0.922287811,1.43367223,0.943705032,1.439680681,1.080327787,1.20393193
11059,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+16.532972",521.4277,16.532972,1.89103656,2.008096049,1.83552688,1.911719525,2.025235746,1.979818235,1.934538794,-1.523843182,-1.685441682,-1.331059007,-1.354558646,-1.758131569,-1.370012999,-1.623023169
11060,C21 H22 F3 N3 S,N-Desalkylflupenthixol,422.1774,11.420995,1.708434121,1.664804194,1.872205061,1.648476344,1.968110199,1.64800706,1.856557941,-1.159919578,-1.143641295,-1.179339283,-0.963903699,-1.449861386,-1.046950248,-1.232755066
11061,C18 H26 O5,beta-Zearalanol Esi+9.510008,322.175,9.510008,0.349535665,0.215343346,0.471439312,0.324157349,0.331036365,0.483685319,0.242651155,0.260687012,0.183988975,0.352186425,0.260501878,0.25376403,0.342512186,0.207931308
11062,C35 H66 O4,Artemoin D Esi+14.44898,567.5222,14.44898,0.622973529,0.669060498,0.452091924,0.655175014,0.532918631,0.762351141,0.476210646,-0.333950293,-0.392795592,-0.263748884,-0.331971413,-0.334723281,-0.437583234,-0.267134319
11063,C37 H46 O19,Epimedoside E Esi+14.371027,794.2604,14.371027,0.533976378,0.748140289,0.164083469,0.523035615,0.335504086,0.653622527,0.338506983,-0.20559035,-0.295242153,-0.098637322,-0.260228799,-0.122100456,-0.314841258,-0.135152264
11064,C23 H45 N O3,N-stearoyl valine Esi+15.018017,383.3407,15.018017,0.003371594,0.144276402,0.19047358,0.086820365,0.128009004,0.021944729,0.010129275,-0.031100386,-0.101182426,0.052506259,-0.045470127,-0.005407746,-0.005926121,-0.047331162
11065,C16 H28 O7,"2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid Esi+9.593995",332.1831,9.593995,1.943155635,1.763880967,2.039187301,1.745655096,2.077637565,1.816255093,1.944789362,2.742729772,2.556060332,2.965423139,2.598770405,2.949155651,2.64407592,2.806335545
11066,C25 H42 O5,Cholic Acid Methyl Ester,422.3037,14.102034,0.701144076,0.748442916,0.634615789,0.658227864,0.646936201,0.920849433,0.55536441,0.583099656,0.682661206,0.464324474,0.611329876,0.521850935,0.830515191,0.423581745
11067,C48 H94 N O10 P,PS(20:0/22:0) Esi+14.547043,875.6513,14.547043,0.892926776,0.951388903,0.665697588,0.989896475,0.683115005,0.944407495,0.785133751,-0.57981865,-0.671978621,-0.469873422,-0.575383838,-0.595773675,-0.558310205,-0.593685937
11068,C38 H48 N2,Hexafluronium Esi+13.633026,531.3733,13.633026,1.591792194,1.453120837,1.638417215,1.546656949,1.59093589,1.626382712,1.570768783,1.814040645,1.625720757,2.038702968,1.802430598,1.816341717,1.808069635,1.817890375
11069,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.437011,466.3664,14.437011,1.44390396,1.512557796,1.233437987,1.486597403,1.256248644,1.314672534,1.36861486,-0.855504299,-0.988652543,-0.69666078,-0.88070904,-0.816719984,-0.757674837,-0.918578557
11070,C15 H30 O,3-Ethyltridecan-2-one Esi+9.625,243.2558,9.625,0.710947167,1.00471788,0.465419743,0.872946933,0.499198034,0.899799572,0.583701511,-0.278866969,-0.3187401,-0.231299023,-0.349411527,-0.183091156,-0.381989081,-0.212380344
11071,C41 H74 N O10 P,"PS(20:2(11Z,14Z)/15:1(9Z))",771.5047,14.916013,0.483211567,0.314293109,0.531150466,0.393827223,0.471734993,0.451945839,0.466130768,0.310853772,0.253408466,0.379385014,0.317790854,0.321065306,0.370948528,0.272108468
11072,C14 H21 N O,Fabianine Esi+7.5520015,236.1886,7.5520015,0.038239027,0.462294784,0.632322779,0.25403946,0.118789083,0.018981265,0.060452913,0.015768313,-0.082006353,0.132411775,0.055963159,-0.039118588,0.002432809,0.024366204
11073,C15 H22 O5,Bisbynin Esi+7.8089857,282.1461,7.8089857,0.167391443,0.315610673,0.027588539,0.260617669,0.011410082,0.308424341,0.023172024,-0.283482868,-0.478372809,-0.050982588,-0.552243146,0.053727771,-0.554308655,-0.108871506
11074,C25 H40 N2 O7 S,Lipoxin D4 Esi+10.082012,512.2595,10.082012,1.148616315,0.981319119,1.434857985,1.22567539,1.027359151,1.401224575,1.033014185,1.728788598,1.516728278,1.98177284,2.04343371,1.335603844,2.086567019,1.498115669
11075,C27 H46 O3,"7alpha,25-dihydroxycholesterol Esi+15.930973",418.3445,15.930973,0.817211699,0.80690248,0.813005992,0.895363361,0.729001462,0.884351385,0.735343466,-0.436050741,-0.478615549,-0.385271672,-0.488077932,-0.37518598,-0.485139046,-0.404401702
11076,C25 H30 S,C25 H30 S,361.2106,10.420999,0.166119769,0.192294665,0.164935921,0.281249877,0.170584752,0.242943111,0.407280005,0.073005763,0.080465891,0.064105962,0.082768795,0.110718455,-0.271448234,0.295087946
11077,C49 H76 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",859.5123,8.598011,0.312908523,0.066970535,0.734867284,0.200946324,0.538598071,0.23967518,0.379013193,0.126544353,0.041204863,0.228352867,0.082222072,0.185879801,0.094229344,0.147379029
11078,C21 H31 N O9,Oxprenolol glucuronide,440.1928,14.301019,1.682694444,1.826086415,1.631504445,1.864607183,1.648058838,2.032748923,1.582518703,1.079798504,1.180955601,0.959119862,1.161806348,0.946153314,1.198391999,1.003336908
11079,C34 H46 O7,25-Cinnamoyl-vulgaroside Esi+13.127991,583.3527,13.127991,0.898225279,0.59879912,1.500230325,1.088728871,0.982413036,0.758244346,1.096584886,0.667568305,0.43797989,0.941463257,0.677524893,0.652704726,0.547573235,0.744933548
11080,C34 H58 O6,Campesteryl glucoside Esi+15.583985,562.4204,15.583985,1.389881526,1.519244203,1.159426773,1.43506974,1.307838373,1.437909117,1.307335739,-1.354278421,-1.617846591,-1.039846219,-1.325520866,-1.415048391,-1.323769384,-1.373948722
11081,C18 H34 O4,6-HpOME(7E) Esi+11.103022,331.2728,11.103022,0.484108275,0.45038868,0.405308226,0.443944236,0.383179577,0.330338089,0.494248902,-0.147580799,-0.157200348,-0.136104846,-0.123373503,-0.186080285,-0.103121406,-0.176245408
11082,C11 H15 N5 O4,O6-Methyl-2'-deoxyguanosine,281.1127,0.81300235,0.313295216,0.237987689,0.394564728,0.067382036,0.601219358,0.120237681,0.430324063,-0.268023016,-0.275350291,-0.259281706,-0.134794444,-0.42702195,-0.200173781,-0.311767918
11083,C37 H71 N O S2,C37 H71 N O S2,609.4944,16.299011,0.499505535,0.529105004,0.537180771,0.537136875,0.467484644,0.733205471,0.438153193,0.526920371,0.452809223,0.61533367,0.634623812,0.410452725,0.596651961,0.481961845
11084,C13 H25 N8 O,C13 H25 N8 O,309.2152,6.3189797,0.897959681,1.016019009,0.772554459,1.033213405,0.710336167,1.061527756,0.805201824,-0.434114227,-0.474460211,-0.385982176,-0.47674138,-0.380479825,-0.489495742,-0.398407724
11085,C21 H47 N8 P,C21 H47 N8 P Esi+14.592027,442.3649,14.592027,0.691175539,0.626246145,0.561307277,0.626816254,0.662028885,0.564303186,0.68914623,-0.384155181,-0.449527361,-0.306167317,-0.372321585,-0.413339218,-0.335019677,-0.415834651
11086,C38 H64 O16,Lyciumoside IV,776.4163,8.5,1.556579476,1.517416467,1.674260341,1.6641174,1.600629965,1.757412666,1.545611416,0.725393472,0.688593516,0.769295174,0.790174132,0.628568954,0.821133093,0.663666611
11087,C26 H38 N9 O2,C26 H38 N9 O2 Esi+14.236027,506.2871,14.236027,1.210915003,0.910975903,1.665647225,1.287800038,1.181260951,1.359571649,1.157997829,1.031445283,0.856218246,1.240488065,1.060833813,0.999484894,1.042985357,1.024004973
11088,C45 H85 O12 P,PI(P-18:0/18:1(9Z)) Esi+14.312989,847.5658,14.312989,1.286467891,1.37017434,1.009158468,1.429240961,0.997986667,1.378719407,1.130988783,-0.976610406,-1.198550972,-0.711839204,-0.992408895,-0.96285293,-1.027903624,-0.943539779
11089,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.462978 :2,311.1518,11.462978,0.049171556,0.065536047,0.072742797,0.072940607,0.006039314,0.069080852,0.038405376,0.030170295,-0.016131924,0.08540803,0.112975375,-0.089216011,0.034261896,0.027532289
11090,C41 H57 N O6 P S,C41 H57 N O6 P S,722.3645,14.55102,0.161076824,0.094963664,0.25583365,0.183306715,0.151021144,0.282666533,0.128800134,0.152731551,0.131157585,0.178468915,0.189713287,0.105738885,0.215288754,0.112398618
11091,C21 H39 O6 P,CPA(18:1(9Z)) Esi+8.067994,418.2533,8.067994,0.381007512,0.235589016,0.490866562,0.286203226,0.388584214,0.337449381,0.363159473,-0.238522339,-0.178251523,-0.310424366,-0.23552149,-0.24943072,-0.242341243,-0.236060151
11092,C19 H39 N O,Palmitoyl N-Isopropylamide Esi+15.614991,297.3026,15.614991,1.310910977,1.484723014,1.216933645,1.309989627,1.372050334,1.227806103,1.416529174,-0.606500366,-0.670522732,-0.530122806,-0.528011507,-0.693465247,-0.549693372,-0.643125928
11093,C26 H51 N5 O4,C26 H51 N5 O4 Esi+12.986021,497.3922,12.986021,0.174194624,0.20695495,0.028601545,0.080071936,0.125655902,0.059792679,0.188426116,-0.039173934,-0.06665199,-0.006393096,0.011206652,-0.124624386,0.057596363,-0.10156531
11094,C41 H77 O12 P,PI(P-18:0/14:1(9Z)) Esi+13.48297,792.5171,13.48297,0.220465435,0.129210304,0.34716382,0.071126963,0.433521751,0.024942944,0.438172513,0.172776088,0.112045676,0.245226405,0.096028552,0.282771346,0.038080791,0.259619109
11095,C30 H14 N4 O18 P,C30 H14 N4 O18 P Esi+13.996026 :1,749.0042,13.996026,1.674263612,1.624433338,1.842658641,1.678528376,1.761749377,1.794667086,1.691439475,0.888318139,0.896938999,0.878033606,0.893376082,0.86302333,0.93868213,0.855846619
11096,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+6.3370056",298.1392,6.3370056,0.49638985,0.541683129,0.260122729,0.397046442,0.429952151,0.499607407,0.405158762,0.300415093,0.35361832,0.236944575,0.234011989,0.346287807,0.302701541,0.298940935
11097,C25 H51 N8 O P,C25 H51 N8 O P Esi+14.780024,510.393,14.780024,1.012312742,1.089289264,0.71466817,0.897182224,0.943016468,1.03317357,0.955342171,-0.699580193,-0.872965472,-0.492734597,-0.669992646,-0.729499989,-0.707720403,-0.694331901
11098,C15 H28 N6 O5,Pro Arg Thr,372.2132,7.1829906,0.198376764,0.208317899,0.084295607,0.20885137,0.187260275,0.155035691,0.213797676,-0.113070715,-0.147264221,-0.072278461,-0.115666497,-0.11394892,-0.097045306,-0.123402886
11099,C13 H24 N7,C13 H24 N7 Esi+8.423981 :1,278.2089,8.423981,0.041355793,0.115384707,0.150184383,0.247091364,0.285584,0.316794775,0.215180715,-0.008703545,-0.055331593,0.046922899,-0.151552425,0.194103751,-0.208446868,0.120078335
11100,C24 H31 F O6,9alpha-Fluoro-6alpha-methylprednisolone 21-acetate Esi+5.7359953,434.2128,5.7359953,0.539887817,0.28204014,0.805783463,0.35247545,0.742416334,0.290803361,0.668128415,-0.310065343,-0.144879575,-0.507129066,-0.185019591,-0.50021678,-0.140716309,-0.419250905
11101,C20 H O11 P,C20 H O11 P,447.9272,5.0079966,1.409033566,1.531740113,1.296550546,1.395341554,1.636108357,1.375847298,1.530295383,-1.957169397,-2.070225308,-1.822295678,-1.844427506,-2.075033773,-1.660111238,-2.148693736
11102,C26 H27 N O2,JWH 210 N-(4-hydroxypentyl) metabolite,385.2088,7.21598,0.433006649,0.309805589,0.553643893,0.367969523,0.431522612,0.523205524,0.410950625,0.12159277,0.114850083,0.129636677,0.129791425,0.132178827,0.182045171,0.08261688
11103,C24 H44 N2,C24 H44 N2,360.3507,12.962966,1.102511109,1.170899577,1.16941011,1.226432733,1.029364731,1.340241112,1.084173462,-0.456112873,-0.493001899,-0.412104913,-0.520610546,-0.36629426,-0.512907413,-0.419495341
11104,C30 H52,"9beta,19-cyclo-lanostane skeleton",429.4329,13.862042,0.25512565,0.503264271,0.33856227,0.226388861,0.126567084,0.557855532,0.012387612,-0.067844511,-0.225416873,0.120136553,-0.097291576,-0.011869014,-0.202546756,0.01900299
11105,C32 H32 F3 N3 O2,CAY10500,564.271,12.395997,1.659217159,1.577507205,1.858639599,1.605825779,1.841551624,1.715455884,1.716407064,1.057803645,0.973595266,1.158262765,0.996369928,1.146537361,1.035327196,1.072295041
11106,C31 H37 N5 O3,Doramapimod Esi+10.303975,526.2761,10.303975,1.328011631,1.159706632,1.362824999,1.283079168,1.168023828,1.475124869,1.111364797,1.466421387,1.361518905,1.591568207,1.563343429,1.312226498,1.761876569,1.275930546
11107,C20 H33 N O,Fenpropimorph Esi+11.947017,320.2822,11.947017,0.817569411,1.085090293,0.580450584,0.797546353,0.868043205,1.146955046,0.646196449,-0.19881609,-0.249488997,-0.1383642,-0.196089967,-0.189357313,-0.258953633,-0.1600432
11108,C31 H61 O12 P,PI(22:0/0:0),655.3814,13.197999,1.885925957,1.669617672,1.828071209,1.673783831,1.885948411,1.563462391,1.944697057,2.361414139,2.216653147,2.534111462,2.289470762,2.460603216,2.166235267,2.487253148
11109,C24 H29 Cl O5,Armillaricin,432.1727,12.971983,1.205720019,1.326508493,0.730575731,0.943198791,1.294814495,1.206867063,1.066509501,-0.398510609,-0.480936565,-0.300177889,-0.334075358,-0.472370253,-0.430737022,-0.377733053
11110,C22 H28 N2 O2,Anileridine Esi+11.982997,330.2395,11.982997,1.738608345,1.607401438,1.721124464,1.718025977,1.641300289,1.533910941,1.760997839,1.279297108,1.298248386,1.256688567,1.261505422,1.299178018,1.315207782,1.256144174
11111,C11 H21 N7 O,C11 H21 N7 O Esi+9.159018,265.1445,9.159018,0.24675521,0.444527553,0.047591611,0.208752915,0.260494817,0.547370703,0.128737726,-0.290236436,-0.264512978,-0.320924071,-0.376449271,-0.160273646,-0.444707206,-0.19064344
11112,C26 H34 O5,Dihydro-7-Desacetyldeoxygedunin,426.2355,12.010008,2.425535783,2.297549562,2.489857317,2.373998504,2.523194955,2.13222915,2.560816986,3.70266501,3.574551932,3.855501665,3.564183966,3.915185137,3.440480113,3.871705273
11113,C12 H24 Cl3 N5 O6 P S,C12 H24 Cl3 N5 O6 P S,502.0248,8.860988,0.138738014,0.491198872,0.308458613,0.292425887,0.049766981,0.819695257,0.286432267,-0.069583202,-0.211399224,0.099600826,-0.119351062,0.015337201,-0.306848874,0.083390719
11114,C33 H52 O11,Spongipregnoloside B Esi+12.990985,624.3414,12.990985,1.192138022,1.215304091,1.273747182,1.252658986,1.174887935,1.416604993,1.160739899,0.949379771,0.890299718,1.019861239,0.989182093,0.879596335,1.032072571,0.896064677
11115,C25 H43 N23 O4 P,C25 H43 N23 O4 P Esi+13.455013,760.3613,13.455013,1.370395657,1.267379168,1.431819328,1.42444201,1.337164437,1.315405359,1.418781879,0.922376037,0.816841635,1.048276727,0.920714387,0.917332593,0.828204116,0.983092143
11116,C37 H50 N3 O15 P S5,C37 H50 N3 O15 P S5,967.1581,13.299012,0.148965485,0.163370958,0.033884884,0.168953887,0.002494136,0.017374771,0.174204615,-0.004928223,-0.027776617,0.022329511,0.004018096,-0.035780483,0.055559419,-0.043926834
11117,C57 H62 N5 O2,C57 H62 N5 O2,848.4896,14.645997,0.216632737,0.136572257,0.338215014,0.2819634,0.109142431,0.089925413,0.432576879,0.208233055,0.173956114,0.249124844,0.274390053,0.121655918,-0.021431265,0.356306103
11118,C14 H20 N10 O2,C14 H20 N10 O2,360.1762,5.8470054,0.646682228,0.468551608,0.835697636,0.758074065,0.634932823,0.48388458,0.699676693,-0.505067147,-0.348560601,-0.691776711,-0.466151684,-0.579322912,-0.324193749,-0.621682891
11119,C33 H58 N2 O3,17-Hydroxypancuronium,529.429,14.594976,0.583419082,0.505655684,0.437435156,0.420174383,0.566840934,0.450743869,0.55499004,-0.277015803,-0.315402078,-0.231221649,-0.189285016,-0.39924734,-0.220988851,-0.313138443
11120,C40 H77 Cl N20 P,C40 H77 Cl N20 P,903.6187,14.499019,0.696140378,0.834207161,0.344222517,0.650336061,0.59040449,0.736373774,0.562850222,-0.369463565,-0.513608741,-0.197500898,-0.310848313,-0.423198236,-0.434192184,-0.327730639
11121,C42 H68 O14,Jujubasaponin VI Esi+13.822999,796.4587,13.822999,0.236598719,0.196554608,0.289794036,0.05310106,0.409639744,0.106842618,0.276792032,-0.43235119,-0.351025635,-0.529371151,-0.170677258,-0.798008415,-0.29309034,-0.522137792
11122,C14 H23 N3 O5,Thr Pro Pro,313.1559,6.286009,1.971787162,1.799814433,1.972736973,1.783075404,2.037451241,1.708897519,2.052190878,2.422218646,2.404745657,2.443063617,2.261684655,2.624999882,2.35560511,2.465166848
11123,C23 H54 N6 O13,C23 H54 N6 O13,622.3732,14.195012,0.586466226,0.448445449,0.707643746,0.628062692,0.449276585,0.61382417,0.552531257,0.345682716,0.310244904,0.387959403,0.3747319,0.262259588,0.385879696,0.319766241
11124,C12 H20 O5,"Polyethylene, oxidized Esi+9.662006",244.1303,9.662006,0.572769479,0.755728317,0.220750774,0.68924067,0.389499549,0.660398637,0.456229822,-0.577056516,-0.899302098,-0.19262319,-0.658379247,-0.456778943,-0.495395879,-0.629706137
11125,C24 H45 O12 P,PI(15:1(9Z)/0:0) Esi+0.8690016,573.2873,0.8690016,2.023945618,2.048106296,1.975648716,2.06344713,2.05990973,1.920304907,2.099870874,1.865015031,1.823173911,1.914930753,1.750381068,2.015558974,1.589552968,2.042615572
11126,C24 H38 N12 O,C24 H38 N12 O,510.3226,14.333986,1.170479181,0.912487969,1.446873279,1.221337948,1.03214043,1.215387285,1.092833556,0.710738255,0.620921455,0.817888123,0.733739201,0.677749622,0.777000147,0.668016773
11127,<none>,<none> Esi+14.230972,773.5488,14.230972,0.652243489,0.713166242,0.3532417,0.693156903,0.471290777,0.629783903,0.477410424,-0.344271261,-0.366176111,-0.318139159,-0.378492881,-0.28689367,-0.380568346,-0.320869193
11128,C21 H36 O5,Carboprost Esi+9.573981,385.278,9.573981,0.851735079,0.841258486,0.87453052,0.93467326,0.859115742,1.060922906,0.798335882,0.632808002,0.68984327,0.564765927,0.68058598,0.559833581,0.75008114,0.557197689
11129,C50 H89 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/19:0) Esi+14.93898 :1",945.6366,14.93898,1.331439933,1.214443246,1.224257084,1.300060745,1.192865432,1.148240304,1.289636684,-0.9498979,-0.952618187,-0.946652645,-0.856010274,-1.091850714,-0.885800691,-0.991223732
11130,C28 H40 O4,Bolegrevilol Esi+8.305021,457.3241,8.305021,0.393028039,0.290768253,0.310852053,0.434153369,0.119709723,0.421910023,0.287372674,-0.201302089,-0.144477958,-0.269092282,-0.28745728,-0.097117654,-0.238945731,-0.177031847
11131,C43 H65 N5 O10,Telithromycin Esi+8.201021 :1,828.5042,8.201021,0.393704854,0.066791838,0.748351621,0.522402088,0.338867614,0.270589322,0.496181456,-0.226835823,-0.031221564,-0.460200202,-0.224648148,-0.254279219,-0.094393246,-0.312226432
11132,C15 H22 O4,Isoleptospermone Esi+5.947013,266.1496,5.947013,0.631418061,0.693825249,0.516376204,0.712852684,0.69560552,0.775572571,0.574006757,0.295617048,0.378537206,0.196694754,0.307024723,0.277699799,0.359497424,0.254431016
11133,C17 H28 N13 O4,C17 H28 N13 O4 Esi+5.9329915,478.238,5.9329915,0.27269721,0.130045217,0.779004512,0.08750701,0.584376062,0.086720783,0.543212616,-0.172438746,0.068082655,-0.459376558,-0.035654175,-0.379864009,0.065652887,-0.325945194
11134,C21 H38 O4,Methyl acetyl ricinoleate Esi+13.329998,354.2764,13.329998,2.138776789,2.242892529,2.034328865,2.035015236,2.285608549,2.203776493,2.177327155,-0.881132307,-0.95335223,-0.794975205,-0.846359478,-0.925772105,-0.878032026,-0.883131173
11135,C18 H32 O5,"(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid Esi+10.302001 :1",328.2241,10.302001,0.028420636,0.036661228,0.091799612,0.032193607,0.017100738,0.252138707,0.121842283,0.012557968,-0.016650925,0.047403664,0.021508847,-0.000817819,0.140695192,-0.070056822
11136,C21 H45 N3 O5 P S2,C21 H45 N3 O5 P S2,512.2544,9.005988,1.302687382,1.38625245,1.199872054,1.330498737,1.293258294,1.542070075,1.21018708,1.742098357,1.695205472,1.798040747,1.691027806,1.771720538,1.916425572,1.629703179
11137,C46 H83 N3 O15 P2,CDP-DG(18:1(9Z)/16:0) Esi+14.243969,996.5446,14.243969,0.847397435,0.519555979,1.116163929,0.717781372,0.901681209,0.407033258,0.979301368,0.33655293,0.219925052,0.475687942,0.275985432,0.413114816,0.162833591,0.448556188
11138,C49 H75 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",919.5312,13.518004,0.253835241,0.026101523,0.508251523,0.120747887,0.285143925,0.027673909,0.344558686,0.186615248,0.075390145,0.319304844,0.108287627,0.267285239,0.095907022,0.245098182
11139,C21 H47 N O6 P,PC(O-12:0/O-1:0) Esi+14.646978,462.2958,14.646978,0.14957337,0.012503006,0.264620207,0.013308627,0.169094819,0.301848975,0.029868813,0.179549902,0.106458079,0.266747166,0.180605174,0.158975456,0.360422748,0.062934515
11140,C27 H54 N2 O,C27 H54 N2 O,422.4229,13.101012,0.560358493,0.69590474,0.333654855,0.665466681,0.28777126,0.715892755,0.397204359,-0.362425611,-0.42510836,-0.287646191,-0.433771546,-0.265803657,-0.493985388,-0.277604176
11141,C20 H28 N O2,2-Undecyl-4(1H)-quinolinone N-oxide Esi+9.621991 :1,314.2075,9.621991,1.037517694,0.792099512,1.154107932,0.986289933,0.901833405,0.999373211,0.98972293,0.652891556,0.552550876,0.772596228,0.705473606,0.57048499,0.705933247,0.618693624
11142,C26 H38 N12,C26 H38 N12 Esi+15.309029,518.3358,15.309029,0.460074094,0.573618943,0.316098565,0.626168667,0.2090822,0.701106676,0.332146662,0.261862301,0.360602055,0.144067507,0.364381028,0.109662583,0.394779365,0.176165774
11143,C45 H82 O15 P2,"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0]) Esi+10.977029",924.5054,10.977029,1.427529374,1.30526115,1.631447365,1.478412519,1.46385424,1.537739618,1.410827816,0.706580866,0.640642714,0.785243925,0.756867407,0.632651786,0.752359338,0.677065799
11144,C28 H36 O8,Tigloylgomicin H,517.2702,11.107003,0.892721888,0.630865642,1.192251003,0.92054439,0.931367297,0.599792592,1.048676289,0.37441714,0.30844023,0.453126437,0.376180091,0.384486684,0.277116599,0.437150384
11145,C43 H76 N O8 P,"PE(P-18:1(9Z)/20:4(6E,8Z,11Z,14Z)(5OH[S])) Esi+14.610036",782.551,14.610036,0.918522159,1.016820824,0.562959978,0.935519567,0.568741609,0.691478068,0.916680461,-0.555125138,-0.644220877,-0.448835483,-0.63853691,-0.434640614,-0.465467001,-0.612931041
11146,C46 H77 Cl2 N4 O4 P,C46 H77 Cl2 N4 O4 P,848.5202,14.673027,0.391836693,0.60914263,0.031763802,0.37456381,0.325922308,0.436091809,0.268942107,-0.294520419,-0.58400899,0.050834367,-0.275765986,-0.320791438,-0.428622317,-0.208059985
11147,C20 H30 N6 O7,Tyr Glu Arg Esi+11.448982,466.217,11.448982,1.716730243,1.514408974,1.963540426,1.737220921,1.697260408,1.726258073,1.714001106,2.101609936,1.863912714,2.385178551,2.082864491,2.120563124,2.055592913,2.131278806
11148,C36 H36 O10,Gnidicin Esi+16.261974,628.227,16.261974,0.102664818,0.039497005,0.190809789,0.303120772,0.072769297,0.066887502,0.142685711,0.085531224,0.194800207,-0.044824755,-0.020640628,0.212653307,0.168529394,0.032019247
11149,C23 H38,"3Z,6Z,9Z,12Z,15Z-Tricosapentaene Esi+12.291014",331.323,12.291014,0.112627358,0.097187555,0.232472211,0.232121233,0.032656152,0.306826355,0.068698501,0.21149736,0.151427484,0.283159668,0.292938052,0.094422904,0.348839057,0.122948108
11150,C12 H35 N9 O4 P,C12 H35 N9 O4 P Esi+6.178988,399.245,6.178988,0.064082824,0.32556261,0.227783498,0.337050273,0.218561126,0.358998587,0.070664499,-0.07037561,-0.263091086,0.159530572,-0.250906304,0.197090961,-0.284367628,0.067592928
11151,C33 H54 O7,Cholesterol glucuronide Esi+4.158997,584.3668,4.158997,1.166625115,1.254559063,1.088628947,1.0643212,1.423073706,1.269060291,1.125029751,0.470375108,0.50009385,0.434921169,0.440447256,0.522821037,0.530517632,0.431599006
11152,C38 H48 N2,Hexafluronium Esi+14.464043,509.4017,14.464043,1.306586426,1.300445492,1.078833666,1.192527398,1.336303247,1.248797588,1.252982191,-0.799678235,-0.973657736,-0.592123742,-0.728882993,-0.917243198,-0.813135185,-0.791002043
11153,C23 H39 N O4,PGH2-EA,393.2849,10.668969,1.970821785,1.967036145,1.879636857,2.098289848,1.832022701,1.948356465,1.967541929,3.087508733,2.992075893,3.201358436,3.077296749,3.096147088,2.929724609,3.18923797
11154,C25 H51 N7 O3,C25 H51 N7 O3,497.404,9.5460005,0.925866602,0.855168944,1.17174613,0.772295968,1.183193824,1.003557216,1.042716522,0.314825694,0.285463821,0.349853893,0.260113915,0.386390149,0.314055775,0.315322089
11155,C35 H58 N4 O6 S,Prostaglandin E2-biotin,662.4012,14.478023,0.150892808,0.016892487,0.300351712,0.025448628,0.17536896,0.291997448,0.084665056,0.223756075,0.15176553,0.309639531,0.204303257,0.247346361,0.340320165,0.148602911
11156,C28 H36 N4 O4,Mucronine B,492.2813,7.217008,0.099922003,0.024149113,0.273078412,0.00273388,0.206491583,0.190517848,0.252612332,-0.0017996,0.14503953,-0.176976107,0.114272723,-0.170056449,0.269828235,-0.176928073
11157,C22 H24 O7,Italipyrone Esi+8.854003,422.1353,8.854003,0.789045625,0.894770627,0.787825643,0.863211583,0.622089419,1.085342421,0.628764609,-0.304040022,-0.385141801,-0.207287022,-0.415090799,-0.156483717,-0.434509179,-0.219921749
11158,C12 H22 N O4,2-Ethylacrylylcarnitine Esi+4.124009,243.1469,4.124009,0.654665986,0.742813194,0.373588847,0.748099025,0.430259883,0.672485891,0.545462667,0.372017043,0.543845415,0.16702881,0.504165169,0.200217977,0.492553053,0.294303037
11159,C28 H44 O5,Polyporusterone G Esi+14.239991,460.3194,14.239991,0.772043824,0.847978927,0.436148334,0.770206134,0.62364486,0.580305,0.728288726,-0.328374416,-0.465896415,-0.164313084,-0.295290453,-0.377067246,-0.281433215,-0.358639137
11160,C36 H58 O12,Fusicoccin A Esi+10.991966,704.3749,10.991966,1.466570814,1.251242676,1.641321829,1.444051348,1.45704431,1.380308253,1.493128852,0.619848719,0.533411659,0.722966616,0.636045073,0.599052064,0.607663909,0.627704715
11161,C36 H69 O13 P,PI(14:0/13:0),740.4483,12.746009,0.375903775,0.635695975,0.112686045,0.400795841,0.161134582,0.492662666,0.219037506,-0.302000042,-0.582570902,0.032716072,-0.4069046,-0.14407169,-0.500784672,-0.173836268
11162,C11 H20 N7,C11 H20 N7 Esi+5.843009,250.1777,5.843009,0.318898283,0.310338588,0.293688902,0.018203973,0.764703307,0.08628525,0.418676139,0.370724565,0.347275105,0.398699358,0.012315889,0.83817785,0.133658326,0.523569902
11163,C27 H42 O4,(25R)-3beta-hydroxy-7-oxo-5-cholestenoic acid Esi+12.472977,430.3078,12.472977,0.03564448,0.049273148,0.131949261,0.109326205,0.154959526,0.169607351,0.192366971,0.065081949,0.015446594,0.124296056,0.043683999,0.098869968,-0.023981104,0.12250418
11164,C47 H70 O14,Pectenotoxin 2,875.5053,13.545982,0.576857256,0.792734268,0.143719281,0.472261638,0.615385654,0.501374893,0.590403191,-0.298677135,-0.480725954,-0.081496088,-0.212378815,-0.396970687,-0.279290218,-0.311176595
11165,C22 H34 O7,Colforsin Esi+12.136979,410.2283,12.136979,1.214682436,1.367857708,0.934069606,1.052928574,1.270413195,1.275967248,1.113973286,-2.105320533,-2.365254335,-1.795224068,-2.101956511,-2.075199061,-2.450848347,-1.882546022
11166,C28 H52 S2,C28 H52 S2,452.3509,14.485037,1.561487728,1.489422046,1.421306453,1.430964569,1.527835906,1.364814929,1.545456492,-1.325434402,-1.446875669,-1.180557102,-1.222639921,-1.475116449,-1.174477959,-1.422761583
11167,C25 H53 N11 O3,C25 H53 N11 O3,555.4341,13.84003,0.085108303,0.192888178,0.382608508,0.056172879,0.184513105,0.150295175,0.18522341,0.103044851,-0.122709073,0.372365322,-0.008955964,0.24043108,-0.096460806,0.231673499
11168,C24 H29 N5 O3,Valsartan,435.2323,9.916993,0.455748119,0.56561697,0.28870291,0.390379087,0.596984017,0.304652251,0.520083952,-0.449403909,-0.628182571,-0.236124102,-0.363677767,-0.593172836,-0.35843332,-0.508056
11169,C17 H29 N16 O4 P,C17 H29 N16 O4 P,552.2302,7.1190114,0.523898169,0.421731043,0.499548373,0.47075183,0.390552871,0.5383905,0.442816437,0.391009456,0.399604323,0.380755931,0.43864813,0.300057046,0.48418929,0.330932985
11170,C19 H31 N O,17a-Aza-D-homoandrost-5-en-3beta-ol Esi+11.93701,306.2668,11.93701,0.330713777,0.018061029,0.870481842,0.510673135,0.302019797,0.347620102,0.416045317,0.088124699,-0.033313179,0.232997956,0.107481233,0.076439613,0.06580733,0.102513528
11171,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.693045 :1",814.5424,14.693045,1.656768403,1.64089056,1.499591509,1.696977146,1.463414709,1.547647784,1.614254715,-1.594050387,-1.715404302,-1.449277295,-1.551056686,-1.655646806,-1.544642559,-1.625905434
11172,C10 H25 Cl N7 O2 S,C10 H25 Cl N7 O2 S,342.216,13.041993,1.598590972,1.762854962,1.120359499,1.522440679,1.489182482,1.23844211,1.67988214,-1.395066126,-1.6266937,-1.118738493,-1.387846005,-1.393455182,-1.224045114,-1.505329673
11173,C26 H58 N13 P,C26 H58 N13 P,583.4728,14.926022,0.757766578,0.788686248,0.489812073,0.609995835,0.774522364,0.774586049,0.656180147,-0.425223941,-0.527615362,-0.303072771,-0.390459894,-0.482818276,-0.435766835,-0.418426549
11174,C23 H46,9-Tricosene Esi+13.653013,339.3862,13.653013,1.051182648,0.945203624,1.099721381,0.84587122,1.161469146,1.060084845,1.056181048,-0.631275451,-0.528137256,-0.754317508,-0.58035819,-0.707050505,-0.613589854,-0.642678007
11175,C39 H64 O12,Smilanippin A Esi+14.06201,724.4349,14.06201,0.090838699,0.161779199,0.000744018,0.075570546,0.168999822,0.262589233,0.106187579,0.145460358,0.010740533,0.306178745,0.251559851,8.96E-05,-0.046239158,0.269056098
11176,C39 H45 N21 O4 P,C39 H45 N21 O4 P,902.3699,13.92999,1.550139247,1.520136138,1.584117923,1.626854906,1.497929508,1.659735804,1.510416595,0.737670384,0.726561833,0.75092269,0.779226929,0.67024657,0.773672816,0.714458289
11177,C27 H52 O,18Z-Heptacosen-10-one,409.4277,13.60699,0.754843105,1.023408057,0.173521281,0.699795727,0.729217727,1.033874986,0.550268716,-0.221767705,-0.347020676,-0.072343107,-0.208491445,-0.219817761,-0.316399066,-0.160755379
11178,<none>,<none> Esi+13.97297 :1,644.7809,13.97297,0.388068351,0.509043162,0.068738704,0.422912018,0.282820149,0.243623397,0.41877843,-0.148724642,-0.24079102,-0.038891068,-0.121079876,-0.211260928,-0.03366609,-0.222907129
11179,C42 H70 O13,Ginsenoside La Esi+14.118968,804.4621,14.118968,0.490110085,0.400908304,0.456571568,0.32089139,0.537376658,0.317020748,0.559581409,0.340394979,0.320537157,0.364085012,0.331043469,0.362347048,0.305615429,0.362818636
11180,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+15.239991",522.4255,15.239991,0.686833077,0.7843884,0.679992194,0.798297594,0.706807553,0.899434216,0.631507893,-0.666140826,-0.836908774,-0.462417659,-0.666130127,-0.692145902,-0.82116429,-0.566191487
11181,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+8.505988",360.1785,8.505988,0.59269857,0.457058815,0.601659818,0.624756985,0.466793079,0.203847241,0.695679263,-0.32105424,-0.29371331,-0.353671491,-0.294929946,-0.370593727,-0.106407555,-0.459444866
11182,C39 H58 O4,Feruloyl-beta-sitosterol,607.4673,16.22602,0.577790454,0.813233791,0.11689992,0.45662535,0.491394851,0.578715514,0.459655294,-0.188710995,-0.296676291,-0.059910292,-0.160468403,-0.224604076,-0.2152957,-0.171570856
11183,C41 H64 O12,28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside Esi+13.95403,748.4375,13.95403,0.251030404,0.331681514,0.01625323,0.205742877,0.245124801,0.058476045,0.31209759,-0.086974468,-0.187592733,0.033061355,-0.038283476,-0.158368024,-0.037044182,-0.119166364
11184,C28 H48 O4,6-Deoxodolichosterone Esi+14.010009,448.3527,14.010009,0.798030728,0.599892838,1.040618237,0.879212557,0.722499189,0.435681028,1.02527668,1.091981491,0.748112055,1.502211696,1.108363977,1.077419068,0.626879726,1.391849735
11185,C19 H28 N4 O3,LY255283 Esi+10.675026,360.2121,10.675026,1.896236861,1.744683862,2.208839281,1.729595025,2.1857276,1.694621037,2.083169976,1.884993303,1.586205619,2.241441768,1.707776696,2.133355891,1.694100225,2.008069103
11186,C32 H46 N7 O20 P3 S,Sinapoyl-CoA,972.1752,15.90204,0.34479504,0.730387627,0.425505811,0.491321929,0.045774825,0.525736638,0.155274244,-0.07757997,-0.19153591,0.058367467,-0.118256181,-0.02724407,-0.141569719,-0.036323421
11187,C9 H16 O3,"(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane Esi+5.090992",172.1092,5.090992,0.364551504,0.379038701,0.270014162,0.551778754,0.242569082,0.132583491,0.438176335,-0.129145097,-0.195091671,-0.050471991,-0.160202,-0.080505794,-0.027107285,-0.194932633
11188,C19 H38 N O4,Dodecanoylcarnitine Esi+9.916014,343.272,9.916014,0.484213981,0.573394186,0.246569135,0.499304296,0.330591389,0.646379346,0.326049545,-0.302169387,-0.364693911,-0.227578727,-0.313392316,-0.279765168,-0.416380175,-0.228533484
11189,C21 H41 Cl N13,C21 H41 Cl N13,508.3087,14.072017,0.363328495,0.362172864,0.387133804,0.461313611,0.266962281,0.491615039,0.322427163,0.398054718,0.331527016,0.477421099,0.4095715,0.338628943,0.422033525,0.382594697
11190,C34 H65 O10 P,PG(16:1(9Z)/12:0) Esi+12.742989,664.4365,12.742989,1.192236519,1.293181952,1.335219711,1.337990808,1.472836522,1.297359945,1.298892859,-1.328729065,-1.414735025,-1.226125463,-1.103160245,-1.662533951,-1.063745012,-1.499574046
11191,C37 H48 N29 O3,C37 H48 N29 O3,946.4519,13.805011,1.711092535,1.636499224,1.748370476,1.685156313,1.845764204,1.586343418,1.809736645,0.845174184,0.770395336,0.934384036,0.806604234,0.889819078,0.766008581,0.896215164
11192,C22 H42 O3,4-oxo-docosanoic acid Esi+11.936018,371.3427,11.936018,0.005855332,0.310275847,0.53572817,0.091770193,0.258645142,0.17839072,0.146513808,-0.003362492,-0.145341285,0.166015717,-0.06686045,0.083857361,-0.077107542,0.044183659
11193,C20 H37 N3 O4,Acetylleucyl-leucyl-norleucinal,382.2697,15.069022,0.058350213,0.41706989,0.464650908,0.013226237,0.002458027,0.129234656,0.038997054,-0.031874058,-0.170755717,0.133809324,-0.020214581,-0.041116809,-0.083359985,0.001320816
11194,C21 H34 O8,"(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Esi+9.531005",414.2251,9.531005,1.173440139,0.901086268,1.286028788,1.183056879,1.096696576,1.0467352,1.017023669,0.925727549,0.727743567,1.161918967,0.965329648,0.887341515,0.836971874,0.982951603
11195,C27 H42 N4 O4,Hovenine A Esi+13.641024,508.3019,13.641024,0.393975893,0.328925904,0.468373463,0.271867427,0.512025,0.439202424,0.285821442,-0.196550642,-0.186516389,-0.20852133,-0.099863976,-0.344870742,-0.274597003,-0.146231278
11196,C46 H72 O18,Medicagenic acid 28-O-[b-D-xylosyl-(1-4)-a-L-rhamnosyl-(1-2)-a-L-arabinosyl] ester,912.463,13.039002,1.641881617,1.388008859,1.91913813,1.560735547,1.761678155,1.583258392,1.699463196,0.703736509,0.596896548,0.831194708,0.695564825,0.714882882,0.680772646,0.718542158
11197,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+15.074967",522.4268,15.074967,1.019932632,1.10900833,0.856627727,1.105887523,0.932886999,1.043593287,0.969317377,-0.577287182,-0.746825956,-0.3750304,-0.579570458,-0.591143424,-0.621765651,-0.548610274
11198,C26 H48 N27,C26 H48 N27,738.4584,13.958007,1.009096553,0.753156601,1.438022089,0.978614574,1.057943361,0.971944214,1.079213272,0.930312808,0.716607393,1.185259618,0.91374405,0.949863638,0.83264534,0.993282623
11199,C15 H22 O6,"3,7,8,15-Scirpenetetrol Esi+5.8669868 :1",298.1409,5.8669868,0.783827966,0.834585914,0.58971251,0.582784706,0.862635633,0.897754335,0.670657945,0.649318285,0.773497996,0.501174069,0.616294291,0.684850789,0.862996973,0.511551762
11200,C6 H18 O24 P6,Phytic acid,676.8903,12.81201,0.767911731,0.527795993,1.211041221,0.873631583,0.795377953,0.568170155,0.992825547,0.500426838,0.337710581,0.694544478,0.519122837,0.487467369,0.312197091,0.621785491
11201,C31 H45 N21 P,C31 H45 N21 P,742.3908,13.751971,1.614614841,1.589633061,1.340910402,1.47935548,1.473114185,1.531951426,1.515458651,-0.765587101,-0.825539904,-0.694064459,-0.786555976,-0.718798186,-0.804151714,-0.740723074
11202,C37 H40 N4 O7,Haplophytine Esi+13.486017,652.2907,13.486017,2.064549461,1.928087714,1.884332258,1.965552146,1.885749381,1.83654464,1.987791146,-0.812652429,-0.864383209,-0.750938517,-0.809748208,-0.803750651,-0.826464258,-0.803747435
11203,C50 H82 Cl3 N O5 P,C50 H82 Cl3 N O5 P,912.4996,13.895997,1.378502515,1.061509423,1.719756306,1.312052655,1.496700052,1.236367992,1.50779023,0.607013918,0.48830593,0.748630464,0.608412325,0.602283044,0.560932923,0.636724033
11204,C38 H48 O8,Tetrahydrogambogic Acid,632.3328,13.104003,1.189392675,0.883863099,1.46443069,1.179873951,1.180794923,1.016942853,1.239145421,0.460646675,0.358838923,0.582101537,0.459232018,0.466744126,0.413927706,0.490768115
11205,C28 H44 O5,Polyporusterone G Esi+14.593995,460.3161,14.593995,0.575685749,0.648218271,0.332257659,0.566442192,0.47594276,0.528111212,0.484476876,-0.236861995,-0.319113421,-0.138737486,-0.201959018,-0.306092258,-0.220507113,-0.24740659
11206,C30 H58 N10 P S,C30 H58 N10 P S,621.428,13.225026,0.7678485,0.851441894,0.624691778,0.844571342,0.59275601,0.859132099,0.697476437,-0.706670322,-0.754237044,-0.649924057,-0.78418113,-0.617782493,-0.876042228,-0.597470014
11207,C13 H19 N8 O,C13 H19 N8 O,303.1677,8.682993,1.175155462,1.395710588,0.69354728,1.256539825,0.93888357,1.121530169,1.128369856,-1.183816688,-1.460025936,-0.854303901,-1.284256223,-1.021941621,-1.219011036,-1.161125596
11208,C28 H37 N9 O3 P,C28 H37 N9 O3 P,578.2752,15.23504,0.858493148,0.684973471,1.128163739,1.072596671,0.630384599,0.745003345,0.937828881,0.37815325,0.34808574,0.414023262,0.47237499,0.238486379,0.356327081,0.392225385
11209,C23 H48 N2 O,C23 H48 N2 O Esi+16.368958,368.376,16.368958,1.831851092,2.035997734,1.643209562,1.915204322,1.88719356,2.03251422,1.822326011,-0.724696302,-0.853735806,-0.570754438,-0.775206268,-0.663019342,-0.770796721,-0.694973664
11210,C47 H80 O5,"DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) Esi+15.698978",741.6296,15.698978,2.407196637,2.560802557,2.204253136,2.509896113,2.408511034,2.557361996,2.375004443,-2.179519826,-2.377883718,-1.942875183,-2.192973657,-2.156109063,-2.190033813,-2.172741071
11211,C40 H52 O11,C40 H52 O11,708.3499,14.3899765,1.061636682,0.98263509,1.009678121,1.020966134,0.923594703,0.981187308,1.009768267,0.537476462,0.551179138,0.52112941,0.565757002,0.500829695,0.544257695,0.533104352
11212,C16 H34 O4,C16 H34 O4 Esi+12.330012 :2,290.2455,12.330012,0.122915992,0.355311365,0.182354972,0.248781184,0.020827509,0.182518142,0.059162699,0.055359976,-0.083843966,0.221427837,-0.001506242,0.111857555,0.038107378,0.066483362
11213,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+9.771979,285.2664,9.771979,0.353261408,0.298003592,0.384394155,0.261008432,0.586348877,0.395089746,0.338397969,0.342238456,0.292373286,0.401726729,0.18401255,0.583615171,0.419139072,0.292657795
11214,C6 H13 Cl2 O4 P,C6 H13 Cl2 O4 P,249.9924,10.43701,1.215496491,1.518269287,0.861211581,1.412972674,1.07865798,1.463302222,1.121751144,-0.409813474,-0.538740689,-0.256005569,-0.443372669,-0.366551956,-0.468937385,-0.371694111
11215,C23 H40 O7,2-glyceryl-PGF2? Esi+12.850012,428.2802,12.850012,1.087248515,1.377686031,0.690994424,1.13806236,1.178254794,1.265670214,1.083099039,-1.313668702,-1.682705285,-0.873414532,-1.227144647,-1.37493928,-1.310924229,-1.315438165
11216,C33 H45 N2,C33 H45 N2,469.3574,12.299002,0.081516494,0.358915039,0.266184461,0.16843453,0.004773517,0.252785342,0.033144557,-0.034713893,-0.133423118,0.08304448,-0.066812685,0.023392343,-0.094686287,0.003952518
11217,C39 H74 N O9 P,PS(P-18:0/15:1(9Z)) Esi+14.354984,731.5153,14.354984,0.734365655,0.912016747,0.398237366,0.810931687,0.535167637,0.671446041,0.702522447,-0.638004839,-0.831905352,-0.406684927,-0.695211171,-0.55731954,-0.582864087,-0.673556112
11218,C30 H44,"4,4'-Diapo-zeta-carotene Esi+15.541993",421.3765,15.541993,0.250230232,0.470948845,0.034781341,0.408584961,0.01865306,0.512456048,0.061879094,-0.121303425,-0.352458976,0.154461091,-0.240842303,0.024814618,-0.384694769,0.048514678
11219,C32 H60 O11,Butyl 4'-O-hexadecanoyl-neohesperidoside Esi+12.766011,620.4115,12.766011,0.552057117,0.805825154,0.221492908,0.805569435,0.388210042,0.733712866,0.399077839,-0.571001156,-0.726724075,-0.385226445,-0.596837748,-0.500607825,-0.654345064,-0.517266268
11220,C23 H56 Cl N28 O P,C23 H56 Cl N28 O P,806.4616,13.93701,0.806103645,0.760872552,0.851212721,1.006247281,0.580008976,0.969334124,0.730399349,0.33510588,0.31962786,0.353570886,0.381626034,0.25995058,0.368120476,0.313820154
11221,C16 H29 N O3,Tumonoic Acid D Esi+11.469976,283.2151,11.469976,0.608864453,0.754135431,0.562555137,0.933226184,0.261765241,0.889091817,0.552702171,0.568773727,0.641793181,0.4816628,0.73525559,0.299997841,0.711144533,0.476982023
11222,C29 H64 Cl N5 O3,C29 H64 Cl N5 O3,565.4692,15.795963,0.764400813,0.543155214,0.994885075,0.714084451,0.754843712,0.7603118,0.754560856,0.635367356,0.504235855,0.791804936,0.68483023,0.572996535,0.693741656,0.597731294
11223,C17 H40 N12 O S,C17 H40 N12 O S,460.3163,14.448979,0.661188012,0.639410488,0.562241039,0.640346334,0.637557653,0.626918328,0.601103859,-0.356980249,-0.359646303,-0.353799694,-0.320550289,-0.418806276,-0.321410418,-0.37991343
11224,C38 H57 N5 P S2,C38 H57 N5 P S2,678.3949,13.81697,0.025306101,0.037812567,0.079401397,0.278649273,0.285761155,0.184324741,0.170308588,0.080149336,0.133094738,0.0169864,-0.109131219,0.31813096,-0.125338045,0.212634621
11225,C46 H85 O12 P,"PI(P-20:0/17:2(9Z,12Z)) Esi+14.618966",877.6105,14.618966,0.318608391,0.031554185,0.788779452,0.334400339,0.324501609,0.379825474,0.333403639,0.296426361,-0.037130188,0.694353472,0.262223935,0.336952562,0.27976469,0.307168754
11226,C18 H36 N O4,"4,8 dimethylnonanoyl carnitine Esi+9.316996 :1",329.2558,9.316996,0.476765222,0.505955249,0.503191556,0.534194087,0.392350005,0.540766538,0.4394096,-0.464142744,-0.433779705,-0.500365317,-0.497974137,-0.437603722,-0.463307095,-0.464681518
11227,C19 H27 N3 O7,Tyr Leu Asp,408.1763,8.779023,0.146221433,0.005142181,0.263478605,0.033729716,0.167561848,0.11841462,0.262132894,-0.058357952,0.050827158,-0.188613873,0.022543002,-0.181406722,0.084903639,-0.150723978
11228,C48 H85 Cl3 N12 O2,C48 H85 Cl3 N12 O2,964.5826,14.569024,0.562177662,0.73845352,0.188732855,0.611879103,0.406790363,0.634186735,0.402834824,-0.42907586,-0.660830882,-0.152596183,-0.480864517,-0.369942951,-0.572899174,-0.33634767
11229,C17 H28 O8,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose Esi+11.287023",382.1602,11.287023,0.952572061,0.842854456,1.027544625,0.857404968,0.971641273,0.8718157,0.955476103,0.576808031,0.540717267,0.619863679,0.581504296,0.609026291,0.530580077,0.606612896
11230,C12 H36 Cl2 N11 O4,C12 H36 Cl2 N11 O4,468.2336,9.939967,1.380328844,1.343498077,1.374237958,1.18505717,1.488409724,1.30932176,1.40958227,1.781826942,1.779769368,1.78428159,1.732744079,1.828384702,1.82710507,1.752634464
11231,C41 H51 N21 P,C41 H51 N21 P,868.4384,13.06201,1.697430904,1.406138898,1.896516801,1.681030825,1.697685734,1.668120057,1.678442961,0.64648376,0.5479666,0.764013004,0.65611458,0.627276426,0.6234041,0.661364068
11232,C36 H64 O6,C36 H64 O6 Esi+15.125 :1,592.468,15.125,1.403660613,1.546875317,1.131381038,1.479639488,1.246104406,1.418662467,1.331905071,-1.229543783,-1.516963293,-0.886657349,-1.258269075,-1.195839992,-1.289586417,-1.190832084
11233,C21 H41 N O,N-(14-Methylhexadecanoyl)pyrrolidine,340.3449,15.270997,2.244128258,2.489035453,2.01579478,2.354339611,2.336646958,2.605324751,2.185314271,-1.228260558,-1.395053135,-1.029279939,-1.2444371,-1.198184214,-1.297609239,-1.183548908
11234,C32 H52 O9,Tokoronin Esi+13.507019,580.3593,13.507019,0.275736276,0.095536375,0.54148554,0.373737575,0.167327797,0.361955184,0.218086281,0.368949212,0.190716425,0.581577799,0.468591522,0.216701773,0.406378759,0.344817004
11235,C52 H104 N O13 P,PI-Cer(t20:0/26:0(2OH)) Esi+15.15302,980.7197,15.15302,0.728335503,0.829713626,0.510429538,0.787586106,0.557400989,0.751014836,0.642464799,-0.385214248,-0.536880432,-0.204279151,-0.431896239,-0.336381542,-0.416541317,-0.365016532
11236,C26 H47 N21 O3 P,C26 H47 N21 O3 P,732.3895,8.444979,1.359427657,1.231596784,1.548766026,1.431400769,1.366023295,1.511006192,1.318214389,0.701454738,0.655102419,0.756752242,0.727077776,0.655008132,0.765061021,0.660445424
11237,<none>,<none> Esi+14.429985,829.5565,14.429985,0.367473875,0.330971943,0.340678255,0.311712326,0.395456434,0.070120772,0.467229246,-0.24446826,-0.18410162,-0.316484602,-0.149359546,-0.390254874,-0.053468288,-0.367612978
11238,C19 H36 N7,C19 H36 N7 Esi+13.885009,362.3011,13.885009,0.301390194,0.231528123,0.34555154,0.340423517,0.25404133,0.221695314,0.321336423,0.344618625,0.307332544,0.389100265,0.36951399,0.369792811,0.288429543,0.380845795
11239,C31 H45 N3 O4 S,Pateamine Esi+10.495981,554.3074,10.495981,0.420272475,0.370652844,0.48246295,0.282533819,0.716277832,0.154308767,0.548923956,-0.256457555,-0.210138015,-0.311715953,-0.09342362,-0.468703716,-0.021651294,-0.407845802
11240,C22 H28 N2 O,Fentanyl Esi+12.731996,336.2231,12.731996,1.461476099,1.539599666,1.209763055,1.43081756,1.374550283,1.513528652,1.369165914,-0.534742812,-0.599194411,-0.457853184,-0.527616819,-0.533635506,-0.595348552,-0.495668058
11241,C33 H65 O10 P,PG(15:0/12:0) Esi+12.808027,673.41,12.808027,0.153024312,0.320864941,0.130075311,0.055804351,0.143209344,0.086762817,0.103549743,0.0114497,-0.212570418,0.278701771,0.101357751,-0.09856609,0.012996657,0.01045232
11242,C50 H82 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",904.5871,14.572999,0.033409949,0.159747182,0.06404264,0.01194051,0.034952441,0.380429444,0.133058767,0.109803853,0.185666326,0.019301253,0.156625536,0.007676694,0.353708808,-0.047450658
11243,C32 H48 O5,Ganoderic acid X Esi+15.120049,512.3466,15.120049,0.878594509,0.920100208,0.644808651,0.752987134,0.857575575,0.588765507,0.867471894,-0.589089498,-0.628797473,-0.541718581,-0.395325032,-0.881473955,-0.368670583,-0.731201694
11244,C28 H46 O6,Polyporusterone A Esi+15.57697,478.3274,15.57697,1.098178865,1.259589594,0.664314586,1.053883598,0.972506554,1.18688413,0.953996096,-0.73314713,-0.906250877,-0.526637397,-0.700904142,-0.769262647,-0.842391455,-0.662713289
11245,C18 H37 N6 O5 S,C18 H37 N6 O5 S Esi+11.124017,449.2555,11.124017,1.142350127,0.95240156,1.499090367,1.221302068,1.234024907,1.094384877,1.204231912,0.513565063,0.439971333,0.601361092,0.507642503,0.524823176,0.469212686,0.542160674
11246,C28 H44 N O2,Methylbenzethonium Esi+11.316978,425.3325,11.316978,0.047405791,0.134591443,0.248381261,0.035062014,0.102202459,0.171455502,0.131254113,-0.070491076,0.077318448,-0.246825245,-0.019681163,-0.122678664,0.1261851,-0.197295453
11247,C29 H36 O4,"16alpha,17alpha-Dihydroxyprogesterone acetophenide",448.2577,16.72296,1.764739231,1.985246107,1.737296251,1.818163785,2.037319003,2.17703781,1.711245076,-0.518501662,-0.585585521,-0.438471796,-0.543664705,-0.483057583,-0.527808644,-0.512501108
11248,C17 H34 N6 O2 S2,C17 H34 N6 O2 S2,418.2153,6.6240144,0.51751838,0.123660764,0.945082181,0.393942982,0.667559329,0.342914674,0.584204865,-0.469215359,-0.099823383,-0.909893505,-0.359244764,-0.646622217,-0.320758354,-0.564931059
11249,C19 H29 N O2,Samandarone Esi+10.222993,320.2433,10.222993,0.089616071,0.232718854,0.583816003,0.119709618,0.193768316,0.243765379,0.378764583,0.042499596,-0.046874491,0.149121314,0.036276247,0.068900318,-0.046958868,0.100176764
11250,C22 H48 N3 O3 P,C22 H48 N3 O3 P,432.354,15.169978,2.367960939,2.546435057,2.34524421,2.497389746,2.487660274,2.614791993,2.403303843,-1.671498678,-1.834200806,-1.477397894,-1.620991185,-1.734627181,-1.593761529,-1.721618682
11251,C35 H40 N4 O3,Bonafousine Esi+7.5310054 :1,564.3113,7.5310054,0.359085959,0.052868084,0.82200841,0.014420726,0.798864228,0.198633232,0.648089456,-0.282215593,0.009778896,-0.630559895,-0.054185929,-0.620336567,0.082130887,-0.517123191
11252,C28 H52 N3 O3,C28 H52 N3 O3,477.4035,16.772968,1.899876776,1.943371067,1.73203331,1.946866535,1.849312449,1.921205055,1.849296241,-0.585003259,-0.618838543,-0.54463836,-0.562014381,-0.610470168,-0.52069374,-0.626465976
11253,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester Esi+13.429988,394.2696,13.429988,2.026288144,2.038461849,1.934595532,2.051138439,2.100218874,2.171708603,1.943631502,-1.599787963,-1.651348165,-1.538277547,-1.566128183,-1.64512296,-1.672486775,-1.55291636
11254,C18 H24 N4 O2,Granisetron metabolite 3 Esi+9.251981,328.1875,9.251981,0.806376622,0.850923019,0.561414576,0.886680652,0.587434383,0.623081412,0.813551552,-0.620959453,-0.732418461,-0.487990811,-0.623178136,-0.632315974,-0.557655042,-0.661774139
11255,C24 H49 N O4 S,N-docosanoyl taurine Esi+10.557996,469.3243,10.557996,0.712236634,0.702458678,0.64280968,0.534934625,0.796651616,0.425774875,0.809910958,-0.789879704,-0.780235797,-0.801384715,-0.544308554,-1.135587204,-0.486116109,-0.985727285
11256,C37 H55 N7 O P,C37 H55 N7 O P,644.4226,16.774963,1.408029336,1.582047513,1.170941543,1.394209097,1.472741541,1.508713087,1.385359581,-0.551567178,-0.670828473,-0.409290546,-0.539530119,-0.573566083,-0.584574325,-0.530286254
11257,C14 H24 O4,Monomenthyl succinate Esi+9.0169935 :1,256.1669,9.0169935,0.086399169,0.024486483,0.152574629,0.012068492,0.182955791,0.147472026,0.042748273,0.022898194,0.02235426,0.023547097,-0.016117174,0.069477977,0.051971813,0.004153361
11258,C17 H33 N O,C17 H33 N O Esi+10.362036,267.2554,10.362036,0.938169998,0.82220669,1.134642323,0.899390382,1.144801552,0.785112228,1.102835898,0.38794861,0.34765644,0.436016463,0.332237731,0.460742983,0.302570902,0.442994764
11259,C29 H40 O8,Lucidenic acid E2 Esi+11.527986,538.2555,11.527986,2.363860101,2.17359778,2.396432721,2.326888579,2.292542277,2.203961014,2.343622425,3.726410706,3.477195992,4.023719487,3.67133338,3.787308824,3.709998861,3.736992026
11260,C21 H44 N O7 P,LysoPE(0:0/16:0) Esi+13.831033,452.2751,13.831033,1.649102169,1.482988008,1.764815659,1.643650442,1.662324693,1.749371083,1.574008862,1.601155052,1.458227375,1.771665265,1.594372233,1.592352959,1.634263144,1.579809046
11261,C26 H32 N4 O5,Trp Leu Tyr,480.2329,10.350999,1.541004897,1.394218255,1.676570689,1.449922713,1.584613938,1.537172374,1.520713641,2.151077157,2.06414359,2.254787378,2.160817057,2.102343986,2.214375766,2.110266212
11262,C27 H42 N7 O22 P3 S,(3S)-Citryl-CoA,958.1618,15.521976,1.083110464,1.395570642,0.583069067,1.114050066,1.002314119,1.239258506,0.966423063,-0.33010901,-0.442610963,-0.195896154,-0.357511399,-0.299498529,-0.423683111,-0.269778339
11263,C29 H52 N10,C29 H52 N10,540.4356,15.320007,1.705618778,1.745322095,1.478513477,1.659187011,1.626500805,1.704422868,1.63085618,-1.899681877,-2.073987261,-1.691738613,-1.834638336,-2.003645559,-1.880460881,-1.912074362
11264,C42 H48 N4 O5,Callichiline,688.3639,8.38401,1.224545221,0.993329105,1.48235912,1.145457704,1.268746597,1.137003647,1.183393565,0.587906649,0.543739795,0.640596931,0.597555921,0.569165671,0.614925283,0.570486741
11265,C37 H48 N2 O8,Cytotrienin A Esi+14.016038,648.3438,14.016038,1.595866713,1.353615993,1.908262555,1.604871997,1.703508823,1.548048259,1.67132818,0.673330152,0.571568417,0.794730116,0.679865758,0.66330102,0.644813961,0.691715591
11266,C36 H54 O14,Boivinide A Esi+10.024012,710.3538,10.024012,1.012135097,0.824743478,1.198347011,0.89116993,1.207437943,0.77392914,1.219122785,0.721339065,0.578784841,0.891403754,0.647303947,0.867108643,0.546936443,0.833782861
11267,C16 Cl2 O11 P S4,C16 Cl2 O11 P S4,596.7434,12.818037,1.999976237,1.89772555,2.239527807,1.8995241,2.274144499,1.870018084,2.184779655,-2.439165667,-2.193008177,-2.732827233,-2.186610035,-2.794718908,-2.038319298,-2.697606089
11268,C20 H46 N9 P,C20 H46 N9 P,443.3605,10.54701,0.322587881,0.185224973,0.394330058,0.283185164,0.290295726,0.015510606,0.452507494,-0.135878094,-0.072914556,-0.210992491,-0.127624422,-0.179057529,0.018512876,-0.23541964
11269,C33 H48 S,C33 H48 S,474.3318,14.610039,0.959239881,0.969162879,0.713027276,0.842704794,0.901687203,0.797071982,0.903404898,-0.569456898,-0.655917451,-0.466310976,-0.447642727,-0.741057249,-0.448072894,-0.647717638
11270,C13 H24 N6 O7,Arg Ser Asp Esi+5.1910014,376.1707,5.1910014,0.405339036,0.203353611,0.517808732,0.498137251,0.309668559,0.650536768,0.211566777,0.262710854,0.194816683,0.343707408,0.266766515,0.281190936,0.380152009,0.186992214
11271,C24 H38 O8,Rhodojaponin IV Esi+13.322018,476.2386,13.322018,1.218547147,0.854150354,1.617751601,1.102914911,1.329275575,1.056681761,1.319843906,1.047230148,0.809700839,1.330598446,0.943892281,1.19911882,0.88413937,1.152380781
11272,C30 H52 Cl N16 O,C30 H52 Cl N16 O,687.4197,14.382022,0.63693294,0.728999442,0.482385169,0.563950341,0.676569629,0.483835811,0.626997793,-0.351401171,-0.435367158,-0.251231221,-0.257540257,-0.491386155,-0.25690591,-0.412325747
11273,C24 H42 O4,C24 H42 O4,394.3116,14.114012,0.097821942,0.02658879,0.198615019,0.201131934,0.420726728,0.361382937,0.289398718,0.138966791,0.077593053,0.212184584,-0.013511232,0.346296002,-0.097330781,0.291316542
11274,C21 H47 N14 O5 P,C21 H47 N14 O5 P Esi+13.653016,604.3675,13.653016,0.712412803,0.764890181,0.869473062,0.690822926,0.841695248,0.771786666,0.781376819,0.534271751,0.475309774,0.604612354,0.535385862,0.546764402,0.502779386,0.554576039
11275,C17 H30 N6 O4,Val His Lys Esi+10.746003,382.2334,10.746003,2.264517822,2.069905009,2.370083446,2.136453721,2.367438535,2.007627137,2.389113625,3.827228235,3.469707048,4.253744738,3.548675129,4.191518188,3.451542304,4.069446796
11276,C30 H54 O5,C30 H54 O5 Esi+15.53596,494.3969,15.53596,1.752236969,1.895325192,1.631032652,1.891119932,1.652039107,1.877401405,1.710131561,-2.034986489,-2.359503677,-1.647843177,-2.138537921,-1.91182818,-1.996563442,-2.059759243
11277,C30 H46 N13 O3,C30 H46 N13 O3,636.3841,14.574969,0.222386232,0.001942278,0.549122925,0.193282858,0.288858475,0.53531629,0.125983129,0.197115941,0.084979724,0.330892481,0.199024878,0.174921031,0.420827349,0.052880954
11278,C45 H88 N O10 P,PS(17:0/22:0) Esi+14.289003,833.6018,14.289003,0.48570198,0.555466386,0.224565587,0.31662495,0.474932671,0.416466924,0.421391277,-0.170093904,-0.260595961,-0.062126538,-0.11276566,-0.248235839,-0.170678937,-0.169716713
11279,C47 H77 O13 P,"PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.157974",880.5158,14.157974,0.859040384,0.734159205,0.986753868,0.819703909,0.862655554,0.841773608,0.86403529,0.541964146,0.502507484,0.589035252,0.540919041,0.52405147,0.572019259,0.522586508
11280,C28 H48 O4,6-Deoxodolichosterone Esi+15.260009,448.3573,15.260009,1.540896728,1.658818224,1.519625634,1.625136585,1.722235507,1.591393422,1.6159496,-1.540350919,-1.721229928,-1.324565434,-1.364214133,-1.750259122,-1.360259102,-1.656462748
11281,C42 H76 N O10 P,"PS(18:1(9Z)/18:2(9Z,12Z))[U] Esi+15.239013",784.51,15.239013,0.463371782,0.523678056,0.333796716,0.46179316,0.288602014,0.314365903,0.403226388,-0.25261185,-0.321341726,-0.170618313,-0.239073782,-0.239129793,-0.17348627,-0.303627027
11282,C18 H37 N O2,Sphingosine Esi+11.750981,299.2818,11.750981,0.325495041,0.229454375,0.499274776,0.474723952,0.246299828,0.402666548,0.291096486,0.138744905,0.095006517,0.190924034,0.193602756,0.093432201,0.168302797,0.119687842
11283,C38 H54 N2 O3,C38 H54 N2 O3,584.3958,15.221974,0.238577955,0.024612504,0.635617252,0.223297925,0.2608159,0.20238678,0.299132844,0.267935552,0.095788391,0.473304096,0.289627321,0.252268921,0.24181127,0.28477884
11284,C35 H43 N O11,Rifamycin W-hemiacetal Esi+12.573982,653.2895,12.573982,1.932954256,1.89799868,1.680815528,1.872398935,1.748293377,1.759918713,1.878412392,-2.210339237,-2.284316187,-2.122086032,-2.193977807,-2.221924344,-2.146233526,-2.25167055
11285,C45 H80 N O8 P,"PE(22:1(11Z)/18:4(6Z,9Z,12Z,15Z)) Esi+14.344976",815.5405,14.344976,1.454700672,1.533448066,1.174004382,1.452726515,1.38443889,1.309373723,1.479602198,-1.166918595,-1.31155145,-0.994374137,-1.060448988,-1.296828464,-1.048473641,-1.243284421
11286,C29 H48 O4,"(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol Esi+15.208985",460.3526,15.208985,0.225629418,0.180449301,0.080968567,0.023438693,0.263591089,0.072217264,0.171186398,-0.045485252,-0.059323562,-0.028976392,0.012492723,-0.130855031,-0.047907009,-0.043923856
11287,C35 H66 N O10 P,PS(12:0/17:1(9Z)) Esi+15.038024,690.4319,15.038024,0.597785472,0.716665075,0.367378382,0.540871064,0.646633915,0.748821996,0.421877613,-0.466762106,-0.583064421,-0.328015484,-0.398035318,-0.593316692,-0.579410292,-0.39413367
11288,C26 H21 N3 O3,Oplophorus luciferin,422.1504,12.6379595,0.027789402,0.085666015,0.002647145,0.13215488,0.045813216,0.026871386,0.118717304,-0.006813057,0.018450914,-0.036952532,-0.002533323,-0.007851955,-0.060542278,0.02782815
11289,C14 H19 N5 O,C14 H19 N5 O,273.1592,5.760007,0.52984939,0.741581137,0.140257533,0.597436528,0.368187102,0.618777022,0.380239083,-0.276919016,-0.370805845,-0.164913677,-0.340964515,-0.210401874,-0.332767097,-0.240911702
11290,C24 H44 O7,2-Stearyl citrate Esi+14.12697,466.2915,14.12697,1.360688369,1.195555425,1.496862786,1.21187169,1.49517817,1.383065114,1.356982443,1.067668362,0.995315278,1.153984322,0.98506667,1.17528652,1.112102407,1.039020096
11291,C24 H53 N7 O3 P S2,C24 H53 N7 O3 P S2,582.3399,12.57599,1.864612784,1.70889418,1.948235218,1.807950447,1.907571872,1.726731628,1.938172204,2.215015546,2.10703323,2.343836555,2.145432517,2.296590206,2.045077912,2.3245806
11292,C21 H32 O8,"5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one Esi+9.625",434.1927,9.625,0.029425829,0.03602273,0.057291762,0.041286584,0.008262372,0.201907,0.090195198,0.087755135,0.03690737,0.148415627,0.173622994,-0.02410772,0.197804334,0.016802362
11293,C43 H75 Cl3 O2,C43 H75 Cl3 O2 Esi+12.918964,728.4846,12.918964,1.454704846,1.401275995,1.498541525,1.360763842,1.503106478,1.375555666,1.511866036,0.754928213,0.766106243,0.741593021,0.75726767,0.737460281,0.772907606,0.743336236
11294,C13 H22 N6 O4,C13 H22 N6 O4 Esi+7.864012 :1,326.1705,7.864012,0.297513461,0.411356478,0.188504425,0.468572392,0.135422715,0.395977688,0.223453439,-0.437687322,-0.451760201,-0.420898624,-0.543947316,-0.306654757,-0.437496422,-0.437810402
11295,C28 H46 O5,Polyporusterone F Esi+14.591013,462.3313,14.591013,0.22440281,0.296751438,0.180233153,0.226734011,0.178970406,0.405466729,0.145862231,0.27113541,0.342753994,0.185695697,0.319222681,0.185288539,0.405498789,0.184506389
11296,C42 H66 O14,Cynarasaponin C Esi+15.229985,816.4239,15.229985,1.596599349,1.811951219,1.537166979,1.711346698,1.602724483,1.887035065,1.527173207,1.077692553,1.172972888,0.964024785,1.132713801,1.002018826,1.217734908,0.987402088
11297,C28 H45 Cl O3,"11?-(chloromethyl)-1?,25-dihydroxyvitamin D3 / 11?-(chloromethyl)-1?,25-dihydroxycholecalciferol",464.3095,14.71601,0.424371793,0.443640412,0.180778942,0.354196093,0.406554064,0.071717315,0.492416878,-0.156961138,-0.214656024,-0.088132151,-0.09552907,-0.250085075,-0.002509024,-0.256542106
11298,C33 H62 N2,C33 H62 N2,486.4911,14.270997,1.097385129,1.273367686,0.845402986,1.178520984,1.086499425,1.387333017,0.978093981,-0.470992466,-0.604246303,-0.312022976,-0.518740437,-0.408688234,-0.592601809,-0.392586442
11299,C20 H48 N13 S,C20 H48 N13 S,502.401,16.229984,2.104434059,2.010527748,1.842527898,2.052031605,1.888818196,1.959699066,1.966432458,-3.683279722,-3.817066546,-3.523674388,-3.728304197,-3.640645497,-3.765957368,-3.629974397
11300,C27 H29 N13 O17 P S2,C27 H29 N13 O17 P S2,902.0992,14.584975,0.001254784,0.020273706,0.120332849,0.050021814,0.043343523,0.098674684,0.089526678,0.022465883,0.004736953,0.043616186,0.007045941,0.031293302,0.068978935,-0.007522795
11301,C20 H41 N14 O P,C20 H41 N14 O P,524.3339,12.666993,2.295533262,2.198312894,2.373263762,2.320301309,2.296599794,2.168095016,2.355856005,2.610745694,2.483005185,2.763137881,2.608034033,2.596712682,2.486880179,2.690606356
11302,C30 H62 N5 O3 S2,C30 H62 N5 O3 S2,602.4425,15.10102,1.051999904,1.112903899,0.672747271,0.794517967,1.002905161,0.935667604,0.924803601,-0.652588537,-0.798613381,-0.47838346,-0.602937715,-0.728455377,-0.702384028,-0.620483549
11303,C35 H54 O13,Evobioside Esi+12.152015,682.3555,12.152015,1.164396065,1.110281799,1.278903748,1.181775655,1.191880132,1.20676036,1.165812244,1.165026846,1.023576397,1.333774751,1.198185045,1.109399323,1.10348783,1.204703317
11304,C36 H53 N7 O6,Telaprevir Esi+13.612041,678.3974,13.612041,0.948036252,0.743682941,1.277722715,1.0063828,0.94065575,0.986897426,0.92669287,0.843783029,0.686604622,1.03129411,0.875496391,0.816078614,0.811354214,0.864691081
11305,C24 H40 O4,"11?,12?-Dihydroxy-5?-cholan-24-oic Acid",414.2744,14.502984,0.300467255,0.037508224,0.611552876,0.167610224,0.471033651,0.175929341,0.40891436,0.188234965,0.077183347,0.320717597,0.141923731,0.239904514,0.142843442,0.217500552
11306,C39 H73 Cl N4 O10,C39 H73 Cl N4 O10,792.5006,14.605972,0.79335153,0.582335855,0.952678904,0.729219537,0.80704007,0.665114267,0.81589855,0.732923052,0.565143544,0.933081062,0.720986955,0.761921764,0.646351584,0.788738867
11307,C24 H28 O7,3-Isomangostin hydrate Esi+9.939968,445.2116,9.939968,0.650388192,0.987624017,0.27528941,0.896987826,0.37344496,1.010414838,0.411380338,-0.259595305,-0.415457387,-0.073654575,-0.367752127,-0.118993355,-0.44372187,-0.140882125
11308,C27 H43 N21 P,C27 H43 N21 P,692.377,14.467027,0.611040899,0.582565388,0.467931978,0.570476105,0.527160734,0.526001585,0.543305783,-0.387722433,-0.479135039,-0.278668798,-0.32718559,-0.505335928,-0.394142741,-0.383583024
11309,C20 H39 N O4,N-palmitoyl threonine Esi+10.532979,357.2871,10.532979,0.690121305,0.617384695,0.663995045,0.630479464,0.716198056,0.657943951,0.647050063,-0.508915778,-0.419558109,-0.615517909,-0.366055433,-0.724088418,-0.392688931,-0.583851508
11310,C33 H38 N4 O7,Oxidized dinoflagellate luciferin Esi+14.535969,619.2946,14.535969,0.797937248,0.881405832,0.577418406,0.739987877,0.708715241,0.614535694,0.750610882,-0.212539811,-0.261987197,-0.153549947,-0.20000617,-0.221061019,-0.16136437,-0.245534503
11311,C24 H36 O10,Plantaricin BN Esi+8.989012,484.2294,8.989012,1.457981807,1.476989015,1.386546845,1.416237505,1.429243277,1.584704002,1.350344882,2.10845544,2.083390611,2.138357341,2.115404193,2.069883455,2.316108003,1.974574182
11312,C23 H50 N6 O2 S2,C23 H50 N6 O2 S2,506.3417,15.132019,0.091110812,0.216900422,0.192604782,0.111777005,0.017367068,0.118132654,0.145609014,0.139349876,-0.007996102,0.315131043,0.115327625,0.134963403,0.246599172,0.070202304
11313,C55 H70 Mg N4 O5,Divinylchlorophyll a Esi+14.092026,907.5435,14.092026,0.260471696,0.321304222,0.181121378,0.348554501,0.157060332,0.408915251,0.150494432,-0.255975706,-0.268759162,-0.240725267,-0.308755093,-0.131838363,-0.414636727,-0.1536811
11314,C32 H53 Cl N5 O2,C32 H53 Cl N5 O2,574.3896,14.512958,0.541599486,0.566628217,0.279816389,0.41524947,0.575368152,0.252815415,0.540573814,-0.343525979,-0.44646117,-0.220726102,-0.206012807,-0.563479501,-0.201338918,-0.435199215
11315,C39 H47 N5 O5,Jubanine C Esi+12.510009,664.3432,12.510009,0.351005444,0.345013141,0.41768287,0.590549128,0.005662952,0.706577439,0.155517309,0.333267784,0.257847089,0.42324335,0.521402114,0.043979064,0.499136978,0.226325803
11316,C47 H77 O13 P,"PI(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",880.5195,14.596981,0.941054054,0.822612102,1.022997375,0.918866343,0.928478218,0.958922595,0.916878555,0.738833906,0.688608792,0.798751585,0.816301776,0.654916224,0.819662161,0.686720952
11317,C41 H67 N21 O4 P,C41 H67 N21 O4 P,948.543,14.263975,0.343139007,0.191037586,0.540907345,0.294911648,0.310743218,0.334943403,0.314989167,0.220700955,0.153428198,0.300956173,0.242952142,0.171201603,0.227146416,0.216545328
11318,C23 H40 O7,2-glyceryl-PGF2? Esi+12.074971,445.3145,12.074971,0.373057785,0.41670686,0.194942538,0.537672484,0.124378475,0.403621325,0.219881347,-0.247889775,-0.343081445,-0.134327782,-0.363332393,-0.094037239,-0.305415437,-0.210800861
11319,C51 H85 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) Esi+12.924013 :1",935.5606,12.924013,0.11620969,0.282337019,0.879061374,0.139455143,0.26640541,0.008303663,0.283444586,0.103097186,-0.086663332,0.329478154,0.099904703,0.114246064,0.007684773,0.164613084
11320,C51 H83 O13 P,"PI(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+14.645997",934.5646,14.645997,0.932315159,0.799071711,1.038724468,1.046693203,0.749110483,0.826201762,0.929561662,0.758247572,0.720509404,0.803268545,0.851050978,0.620585647,0.735544826,0.772884869
11321,C39 H70 N17 O2 P,C39 H70 N17 O2 P,839.5809,14.102033,0.425861472,0.402770582,0.459871857,0.448019742,0.394478319,0.303531779,0.548119334,0.54790388,0.513621383,0.588802298,0.57104324,0.523546118,0.41967326,0.630578886
11322,C17 H35 N5 O4 S,Lys Met Lys Esi+9.342019,405.2399,9.342019,0.634656745,0.615166245,0.529998443,0.54527248,0.554694641,0.462291383,0.602060905,-0.552230187,-0.577026963,-0.522648069,-0.527549731,-0.572873921,-0.452764984,-0.616359068
11323,C35 H52 O4,Hyperforin Esi+16.24297,558.3682,16.24297,0.301046626,0.440847033,0.021972597,0.343949055,0.141544984,0.096832194,0.324766332,-0.047576909,-0.196283999,0.129828041,-0.061763212,-0.035651581,-0.000772696,-0.07775331
11324,C23 H32 N4 O4,Nummularine F Esi+9.333007 :1,428.2404,9.333007,1.4242041,1.489502138,1.387765022,1.583270564,1.341044805,1.48286687,1.423066647,-0.820124972,-0.834815965,-0.802598876,-0.868450843,-0.756720724,-0.791479063,-0.838594045
11325,C25 H32 N19 O8,C25 H32 N19 O8 Esi+14.389962,726.267,14.389962,1.484020129,1.455180069,1.730396747,1.648218658,1.609273079,1.639790172,1.611312588,1.071830976,1.047784538,1.100517956,1.026906064,1.133425775,1.023145952,1.103220005
11326,C28 H59 N O6 P,PC(P-20:0/0:0) Esi+14.957018,513.4356,14.957018,1.186273737,1.339118525,0.851150956,1.245384339,1.140056991,1.163418486,1.140047951,-0.777821578,-0.909337243,-0.620925697,-0.709151299,-0.883806598,-0.674988785,-0.844121668
11327,C25 H40 N7 O20 P3 S,(3S)-3-Carboxy-3-hydroxypropanoyl-CoA,883.1257,14.434013,2.541337756,2.675276501,2.344823768,2.637515819,2.555418067,2.748646994,2.454392013,-1.565662973,-1.694398093,-1.412084232,-1.568138054,-1.557805277,-1.59483463,-1.546854931
11328,C8 H17 N O7,N-Gluconyl ethanolamine,239.0977,0.88000125,0.125482245,0.363681226,0.189832724,0.281875253,0.146178115,0.422142627,0.09494126,-0.046765002,-0.215600652,0.154652967,-0.099414253,0.029466166,-0.205012392,0.055262921
11329,C42 H70 O11,Salinomycin Esi+8.291014,749.4774,8.291014,0.785025348,0.788724346,0.74417808,0.897820494,0.564635172,0.898074087,0.648015814,-0.484855235,-0.422899191,-0.558767709,-0.513627324,-0.44860303,-0.473465335,-0.492198724
11330,C27 H39 N8 O3,C27 H39 N8 O3,523.3201,11.136981,0.452894857,0.330690554,0.614120299,0.370817139,0.456346495,0.452602142,0.489076623,0.415659725,0.314069172,0.536855472,0.420349114,0.415054146,0.415154499,0.415985462
11331,C42 H74 O14,3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid Esi+14.118966,824.4932,14.118966,0.070837427,0.090005486,0.205413189,0.020339387,0.058780906,0.056943516,0.072679359,0.193762865,-0.028505541,0.458925174,0.256807497,0.143904737,0.109190778,0.248289606
11332,C31 H63 N O3,Cer(d18:0/13:0) Esi+14.024971,497.4802,14.024971,2.080361813,2.156334333,1.922257084,2.099410226,2.110647525,2.1806511,2.033222444,-1.444114885,-1.503472019,-1.373302867,-1.409988417,-1.511326334,-1.422797356,-1.457859082
11333,C42 H72 O13,Ginsenoside Rg3 Esi+14.435038,784.501,14.435038,1.516749106,1.405023773,1.475636563,1.449228633,1.521518184,1.311832129,1.562407252,-1.048159248,-1.060784925,-1.033097035,-0.977711102,-1.173162258,-0.936226794,-1.120326224
11334,C44 H54 N4 O16,Precorrin 6X,894.3551,7.120981,0.801649035,0.763635545,0.677292203,0.649492773,0.763800044,0.653191162,0.79405505,-0.384552087,-0.361648341,-0.411875855,-0.325974894,-0.491381541,-0.333071343,-0.41774362
11335,C28 H56 N O9 P,PS(22:0/0:0),580.3595,14.190979,1.083464085,0.951849588,1.317437556,1.069625636,1.145676915,0.933076974,1.204833883,1.157912474,1.112933509,1.211571591,1.150070956,1.161661512,1.158850823,1.157307486
11336,C22 H47 N11 O2 P,C22 H47 N11 O2 P Esi+14.33796,527.3465,14.33796,0.257415976,0.517091739,0.072524585,0.202375604,0.329648021,0.104425087,0.298971844,-0.116115431,-0.314222453,0.12022277,-0.063479044,-0.175757622,-0.058794953,-0.153072055
11337,C15 H28 N7 O,C15 H28 N7 O Esi+8.698981,322.2348,8.698981,0.385916527,0.27812183,0.467617036,0.302250804,0.476233037,0.44488618,0.287715434,-0.38037844,-0.259278878,-0.524848092,-0.292080191,-0.524403396,-0.351139888,-0.399229611
11338,C47 H77 Cl N7 O2 P,C47 H77 Cl N7 O2 P,837.5571,13.672044,1.536969279,1.445515731,1.603381714,1.452627396,1.575446701,1.539141367,1.515655396,1.055889365,1.065348217,1.044605122,1.019959182,1.082717705,1.107124854,1.022855958
11339,C32 H63 N3 O7 P S2,C32 H63 N3 O7 P S2,696.3819,14.341006,0.347542477,0.178697834,0.683129205,0.451245951,0.203618706,0.640726059,0.212323626,0.280068043,0.185256917,0.393176052,0.396527548,0.126519455,0.42832345,0.18448232
11340,<none>,<none> Esi+12.683022,680.1319,12.683022,0.836482627,0.691429852,0.765405604,0.811491163,0.588992377,0.515734003,0.821654489,-0.345756516,-0.299252257,-0.401235281,-0.325449486,-0.392845968,-0.191838575,-0.444993083
11341,C54 H56 N7 O6 S,C54 H56 N7 O6 S,930.4007,14.269028,1.116544822,1.058460485,1.16249657,1.204613379,1.033399957,1.283128303,1.023862611,0.581797591,0.572596552,0.592774269,0.626573466,0.50607578,0.652464027,0.536236336
11342,C40 H38 N4 O8,"4,4''-bis(N-feruloyl)serotonin",702.2659,12.513989,1.774407938,1.729159502,1.557505878,1.600938262,1.730826603,1.563855618,1.761279239,-0.827177064,-0.820540905,-0.835093885,-0.804575383,-0.851836878,-0.770689855,-0.863596449
11343,C45 H57 N4 P,C45 H57 N4 P,684.4309,15.114013,1.083697693,1.23959169,0.787928743,1.025560745,1.098402346,1.203024899,0.964715494,-0.775467084,-0.878369003,-0.6527069,-0.723826901,-0.825044047,-0.866784861,-0.716591149
11344,C37 H41 N23 P,C37 H41 N23 P,838.3661,10.805007,0.338096021,0.424253199,0.335434423,0.4217387,0.368406813,0.516264328,0.332010766,0.188865995,0.150021529,0.23520676,0.203694727,0.169729294,0.186844255,0.190169485
11345,C18 H24 N4 O2,Granisetron metabolite 3 Esi+9.248017,328.1877,9.248017,1.158502575,1.151618853,0.962631145,1.22347223,0.947997311,1.014729101,1.145937425,-0.805986977,-0.924590998,-0.66449446,-0.806334835,-0.80831961,-0.790576869,-0.815922442
11346,C16 H32 N6 O5,Lys Lys Asn Esi+10.31201,388.2461,10.31201,0.38203844,0.409776947,0.175163552,0.29699434,0.322434383,0.241342444,0.339215276,-0.264941161,-0.337587503,-0.178275348,-0.157803842,-0.422842121,-0.174460426,-0.323277424
11347,C42 H72 O16,Lankamycin,831.4768,13.576005,0.478685606,0.762368851,0.024531561,0.373229266,0.481408634,0.505396543,0.411943942,-0.266697936,-0.428400793,-0.073789265,-0.197511268,-0.34898371,-0.298216307,-0.246376881
11348,C16 H28 O5,Tetranor-PGF1alpha Esi+8.758028,300.1921,8.758028,0.587577637,0.548661836,0.592197504,0.593402383,0.487306675,0.725821823,0.452907664,1.006946151,0.942637498,1.083665246,1.051675834,0.922865744,1.168776293,0.902608296
11349,C22 H26 O7,Clusin Esi+9.370995,424.1502,9.370995,0.644168461,0.539503321,0.651588329,0.591197512,0.682400352,0.684331773,0.611011028,0.518056887,0.433766683,0.618613623,0.487543931,0.575167786,0.541824146,0.50273326
11350,C20 H25 D5 O2,EPA (d5),329.2372,10.670991,0.4937077,0.576226934,0.197034998,0.3302992,0.452150625,0.481336916,0.411805952,0.296430006,0.386276602,0.189244594,0.268723573,0.326096394,0.338706513,0.269172785
11351,C28 H56 N2,C28 H56 N2 Esi+13.978023,420.4442,13.978023,1.115657259,1.309159972,0.841498755,1.096048906,1.241637041,1.437272591,1.005935135,-0.415614104,-0.547490442,-0.258287946,-0.432153964,-0.390474638,-0.528415486,-0.342886897
11352,C22 H36 Cl N2 O2 P,C22 H36 Cl N2 O2 P,426.2717,8.623017,1.282689819,1.180546214,1.236554081,1.260503886,1.229604734,0.973511938,1.302154423,-1.982030324,-1.801322359,-2.197611757,-1.858691839,-2.129510994,-1.417881579,-2.345757805
11353,C24 H46 O6,Sorbitan stearate Esi+13.614991,452.3112,13.614991,1.852805037,1.699878581,1.88451505,1.759209016,1.883833262,1.524285324,2.008995289,0.962036102,0.90400027,1.031271831,0.918005148,1.017739868,0.839812093,1.040838424
11354,C21 H32 N7 O4,C21 H32 N7 O4,446.2515,10.09202,1.310330095,1.329222584,1.399717275,1.395925906,1.312647394,1.584185659,1.222763954,1.844168513,1.831432611,1.85936222,1.822079487,1.82935899,1.971294803,1.76220551
11355,C8 H15 N O2,C8 H15 N O2 Esi+4.0079966,157.1089,4.0079966,0.623713703,0.652654118,0.476874308,0.542159177,0.665394641,0.590227008,0.616666389,-0.392327696,-0.438996796,-0.336652279,-0.362291029,-0.459667182,-0.412749397,-0.379161073
11356,C24 H51 N4 O3,C24 H51 N4 O3,443.3951,9.543972,0.220944707,0.202961707,0.677353475,0.006418057,0.43009641,0.150329142,0.32387655,0.040835084,-0.030503884,0.125941221,0.001484649,0.086174219,0.021100908,0.053558435
11357,C44 H87 O10 P,PG(16:0/22:0),806.6029,15.110032,1.899205981,2.064834353,1.818429351,1.969396884,2.048919456,2.107386915,1.941835518,-1.163321112,-1.273794988,-1.031527716,-1.220557082,-1.094534405,-1.214099716,-1.130582274
11358,C32 H61 O8 P,PA(17:1(9Z)/12:0) Esi+13.885009,603.4099,13.885009,1.698621021,1.802249265,1.547591279,1.704641035,1.659767456,1.854880815,1.634929132,1.609895565,1.656383569,1.55443619,1.581619537,1.621994341,1.697509918,1.553407363
11359,<none>,<none> Esi+14.343013,734.4213,14.343013,0.349965967,0.165775398,0.564434428,0.229533624,0.441636524,0.349063066,0.322283601,0.353723888,0.203787101,0.532595844,0.325658613,0.38850924,0.326015501,0.371588506
11360,C46 H78 O19,"(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1-2)-glucoside] 26-glucoside",956.4893,13.013984,1.641302825,1.38717386,1.86594167,1.604677078,1.726114251,1.503750743,1.703616674,0.646454684,0.545955338,0.766348642,0.66185863,0.630593747,0.61298849,0.668031573
11361,C21 H21 O12,Myrtillin Esi+2.6830018,464.091,2.6830018,0.829336158,0.799326521,0.698196253,0.525094842,0.941676867,0.734251356,0.795306292,-0.515184858,-0.509493224,-0.521974878,-0.434563384,-0.618765365,-0.523192329,-0.510022147
11362,C44 H81 N16,C44 H81 N16,831.6867,8.187991,0.342942234,0.139218006,0.713852441,0.356855424,0.444905702,0.162935524,0.40793071,-0.0720779,-0.00531628,-0.151723341,-0.060871379,-0.095917345,-0.034276002,-0.096450176
11363,C32 H61 N20 O2 P,C32 H61 N20 O2 P,788.5042,13.543966,0.090077417,0.173263824,0.057955855,0.044616307,0.113872757,0.217017393,0.031757521,-0.041311576,-0.102098727,0.031206429,0.007369747,-0.120472175,-0.171368764,0.042541085
11364,C20 H27 D9 O5,8-iso Prostaglandin F1a-d9,365.3131,13.917986,0.141000218,0.520447193,0.400084255,0.410178467,0.291449606,0.393192616,0.122946653,-0.062021864,-0.276121379,0.193395102,-0.177869028,0.120200087,-0.21735745,0.038128712
11365,C27 H27 N13 O22 P,C27 H27 N13 O22 P,916.1128,14.758039,0.027210229,0.213462088,0.407379861,0.077047465,0.225006087,0.282296167,0.27433937,0.000357978,-0.081082543,0.097515092,-0.045096415,0.068782506,-0.108983714,0.070854596
11366,C26 H31 N3 O5,Codonocarpine,465.2226,10.483987,1.326281652,1.432131074,1.303280329,1.55355721,1.132279589,1.668162264,1.132887262,1.656338911,1.720206983,1.580145421,1.860443711,1.344426636,1.924832659,1.4832311
11367,C26 H34 O7,Hydroxystrobilurin D Esi+13.024979 :1,480.2134,13.024979,1.949703029,1.723451422,2.164726202,1.8618925,2.103180471,1.680922636,2.111711554,1.956640905,1.787586428,2.158319929,1.785987096,2.216578446,1.783950661,2.067980667
11368,C48 H82 O18,Gynosaponin S Esi+10.979985,968.5316,10.979985,1.350613027,1.251946479,1.493324783,1.347008385,1.397468049,1.413393121,1.35975792,0.596575251,0.542379192,0.6612302,0.642560601,0.528150543,0.626730585,0.577132997
11369,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester Esi+13.116975,394.2701,13.116975,1.88293362,1.913475966,1.653755446,1.857359064,1.782219006,1.956994049,1.73948029,-2.374256046,-2.442084106,-2.293338362,-2.403926873,-2.315259644,-2.527985422,-2.275141054
11370,C17 H35 N O2,D-erythro-Sphingosine C-17 Esi+10.099023,285.2667,10.099023,1.975730307,2.019283592,1.923316397,2.08108051,1.978020889,2.111847711,2.002439107,-1.077635049,-1.183745705,-0.951046897,-1.130018528,-1.017157864,-1.143405506,-1.035230412
11371,C22 H38 O2,C22 H38 O2,332.2923,14.113023,0.879275695,1.007338283,0.792504383,0.598299329,0.995630202,0.992294366,0.901471447,-0.86299886,-0.980085567,-0.723316473,-0.864135028,-0.886105215,-0.857491733,-0.866549508
11372,C34 H34 N4 O5,C-13(2)-Carboxypyropheophorbide a Esi+14.565973 :1,577.2423,14.565973,1.482050838,1.634450398,1.200670259,1.601294979,1.310751669,1.602790687,1.380346194,-1.433220938,-1.600585004,-1.233558543,-1.527207091,-1.295367892,-1.654041593,-1.290849726
11373,C45 H81 O13 P,"PI(22:2(13Z,16Z)/14:1(9Z))",877.5631,14.158998,1.118519637,1.197436654,0.975814213,1.196823301,0.988841042,1.298147663,0.978553309,-0.941767417,-1.068924352,-0.790071424,-0.977972252,-0.859200024,-1.006973614,-0.899726579
11374,C30 H60 N30 O4,C30 H60 N30 O4,904.5428,15.648977,1.643886837,1.738103778,1.740876091,1.728901368,1.755378622,1.700178067,1.737507714,0.7840734,0.792011846,0.774602975,0.780714611,0.782804194,0.748416591,0.807062659
11375,C23 H32 N4 O4,Nummularine F Esi+10.077981 :1,428.2404,10.077981,0.521605881,0.361018144,0.648551385,0.4645629,0.45000333,0.663284777,0.366688104,0.540380652,0.443751778,0.655657204,0.593925803,0.444878459,0.737990951,0.412974013
11376,C45 H42 O10,Licoagrone,742.2734,5.815002,1.171775764,1.085482943,1.009741442,1.015817395,1.205092468,0.917212024,1.168739248,-1.221253213,-1.233151327,-1.207058972,-1.077443731,-1.448436449,-1.082070289,-1.310989572
11377,C22 H39 N,C22 H39 N Esi+13.076978,317.3079,13.076978,1.555487666,1.698548999,1.448113474,1.497543155,1.733156294,1.784932736,1.525470618,-0.776043435,-0.917097561,-0.607768337,-0.807504465,-0.725784624,-0.906994089,-0.691614724
11378,C28 H41 N O3,C28 H41 N O3,439.3121,14.979003,0.455004431,0.386949868,0.588322776,0.579541086,0.325800795,0.321606812,0.547940917,0.207911677,0.184060088,0.236366203,0.237525611,0.164634085,0.149568423,0.245527722
11379,C24 H34 O6,"11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate",435.2623,11.134015,0.504546178,0.787637197,0.074149281,0.512757544,0.331544748,0.482027337,0.444136419,-0.146071966,-0.285961963,0.020814345,-0.156270415,-0.132098146,-0.160316969,-0.136887689
11380,C33 H38 O7,Morellinol Esi+13.73199,563.2883,13.73199,0.180333464,0.08006179,0.331406654,0.078622946,0.168433079,0.339146398,0.022981532,0.132885063,0.081038123,0.194737552,0.045437429,0.222578507,0.406887224,-0.043774226
11381,C46 H92 N O13 P,PI-Cer(t20:0/20:0(2OH)),919.5906,14.125,0.853490175,0.71423445,0.878694612,0.886346917,0.667700953,0.90051308,0.741701306,1.01491118,0.975209822,1.062274203,1.124057805,0.831512443,1.208745456,0.88993908
11382,C53 H91 O13 P,"PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",965.6218,15.208985,0.933670763,0.919302515,0.8614135,1.041970445,0.845991607,0.773392555,0.978369529,-0.413772729,-0.432342041,-0.391619866,-0.379170577,-0.478528888,-0.306576926,-0.482885813
11383,C26 H47 N8 O2,C26 H47 N8 O2,503.3825,9.555012,0.013012895,0.263997706,0.394638667,0.310153778,0.447710732,0.458606213,0.374387623,-0.012488307,-0.068712721,0.054586434,-0.080334514,0.087365703,-0.116261631,0.054418179
11384,C44 H58 N8,C44 H58 N8,698.4749,14.013974,1.251167861,1.214249559,1.214720204,1.23152145,1.266678433,0.848542769,1.429207835,1.047328766,1.003127958,1.100059553,1.002818399,1.116202722,0.74773016,1.240491024
11385,C31 H43 N O P,C31 H43 N O P,476.2914,8.754996,1.01024197,1.217474697,0.665350644,0.990605384,0.824345016,1.1961305,0.824757141,0.440569041,0.589447022,0.262960222,0.478243364,0.36539942,0.593695911,0.341842506
11386,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.952948 :1,466.3658,14.952948,1.809864122,1.986671029,1.556442495,1.908557344,1.686580345,1.894210138,1.762812259,-1.647470335,-1.990840979,-1.237835181,-1.621325133,-1.682629288,-1.60846577,-1.672618015
11387,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.418963,466.3652,14.418963,1.153381919,1.290578458,0.938133203,1.170670242,1.088704131,1.113993799,1.131372274,-0.751963394,-0.866548083,-0.615265869,-0.720116036,-0.825289852,-0.687203404,-0.793716545
11388,C23 H46 N O8 P,PE(9:0/9:0)[U],494.2857,13.439963,1.156790666,0.971618554,1.209262443,1.021769044,1.179180031,1.02465994,1.115908905,-1.083262597,-0.962790442,-1.226983764,-0.91724757,-1.317601612,-0.970638622,-1.155875423
11389,C35 H44 O16,3-Acetyl-1-tigloylazadirachtinin Esi+6.3020015,720.2631,6.3020015,2.060852121,1.949781464,2.031187778,1.94606863,2.149301209,1.935599898,2.090305307,2.127694117,2.272604008,1.95481916,1.98025856,2.320625399,2.136519623,2.122003989
11390,C24 H43 N26 O3 P,C24 H43 N26 O3 P,774.3747,13.725025,0.118575358,0.36515617,0.28909509,0.326053157,0.166324209,0.431877803,0.167376229,0.044686536,-0.079890933,0.193305271,-0.004705247,0.108609613,-0.093087985,0.133514845
11391,C25 H40 N2 O6 S,"14,15-LTD4 Esi+11.200999",496.2657,11.200999,1.325949451,1.282373278,1.458647823,1.365184931,1.31262057,1.539448532,1.238081978,1.619219854,1.537091684,1.71719732,1.71485429,1.443641599,1.822764564,1.487987081
11392,<none>,<none> Esi+13.61897,748.9605,13.61897,0.15847001,0.413449812,0.431809233,0.238270757,0.088968843,0.339256574,0.032296576,-0.0354301,-0.145737223,0.096164363,-0.068210607,0.011412668,-0.106501238,0.010392081
11393,C24 H48 N2 O S4,C24 H48 N2 O S4,508.2651,11.523996,0.919209604,0.863780216,1.096816349,0.997148993,0.848745384,1.079183364,0.898836186,1.303570284,1.198001479,1.429512016,1.443968849,1.097118108,1.416036158,1.231059391
11394,C15 H35 Cl N4 O S2,C15 H35 Cl N4 O S2,386.1939,11.06299,2.170283367,1.897421307,2.479183535,2.091196944,2.336336997,2.113528432,2.212804523,2.515373105,2.163301589,2.935388246,2.328619774,2.774611931,2.391142763,2.595468983
11395,C24 H34 O,"3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol",338.2713,11.54002,0.61857495,0.683393885,0.473843731,0.630977422,0.595687875,0.70173772,0.555960351,-0.245022678,-0.272905186,-0.211759336,-0.234381854,-0.243915352,-0.267053824,-0.230818387
11396,C33 H54 N3 O9,C33 H54 N3 O9,636.3865,14.456037,0.170749099,0.214225409,0.177967165,0.122169414,0.290828608,0.208434785,0.239236578,-0.006324989,-0.001827944,-0.011689885,-0.024404939,-0.011941336,-0.036632064,0.013215099
11397,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.342025",350.3291,13.342025,1.092341182,1.322757912,0.877963021,0.921552685,1.24363341,1.186234793,1.046794967,-0.619970474,-0.690623994,-0.535682064,-0.566085299,-0.671259316,-0.659852986,-0.59425675
11398,C39 H79 N19 O5 P,C39 H79 N19 O5 P,924.6339,14.385987,0.201845558,0.05112604,0.401782062,0.114404262,0.286861197,0.294936625,0.185869711,0.278363815,0.120754361,0.466389127,0.264542748,0.264016293,0.349803275,0.232304163
11399,C25 H34 O11,Aeglin Esi+14.320012,527.2383,14.320012,0.263523346,0.411498399,0.136001387,0.26047784,0.100354437,0.193091491,0.259732798,-0.231837621,-0.513194475,0.103816171,-0.345407012,-0.086218926,-0.232763762,-0.231240503
11400,C27 H57 N O6 P,PC(O-18:1(9Z)/O-1:0) Esi+13.100025,539.4097,13.100025,0.152193306,0.399883872,0.257711733,0.292304695,0.207625804,0.635027671,0.19268186,-0.073602718,-0.284931936,0.178509331,-0.208838911,0.137075557,-0.347057086,0.102703388
11401,C17 H28 N6 O5,His Ile Gln Esi+9.947999,396.2112,9.947999,0.055356701,0.1906982,0.050769199,0.171151435,0.062119156,0.277119965,0.068284615,0.034021543,-0.022049818,0.100913693,0.096393703,-0.084008566,-0.055359308,0.091648671
11402,C36 H46 N4 O,C36 H46 N4 O,550.36,15.231997,1.726577872,1.650503817,1.785297849,1.782084707,1.680039408,1.824477512,1.664516414,1.517212928,1.516408062,1.518173119,1.508373385,1.513062872,1.509281967,1.522326311
11403,C19 H30 N6 O7,C19 H30 N6 O7 Esi+9.517978,454.218,9.517978,1.438609355,1.486754026,1.314675474,1.42816072,1.412867005,1.640432357,1.299955191,2.539276391,2.624188197,2.437978096,2.619267053,2.391940218,2.832402065,2.35028747
11404,C23 H44 N2 O,C23 H44 N2 O,364.3451,12.835997,0.35670018,0.529251447,0.001229907,0.289355323,0.360043982,0.597397868,0.149168662,-0.091258684,-0.174006117,0.007457551,-0.074196013,-0.11283643,-0.193217916,-0.025521811
11405,C18 H29 N,"4Z,7Z,10Z-octadecatrienenitrile Esi+10.384014",276.2563,10.384014,0.254379246,0.162625499,0.353904187,0.355494035,0.093698015,0.340412551,0.179406327,0.225273418,0.215199772,0.2372911,0.428930844,-0.021855095,0.366845548,0.13399665
11406,C18 H32 Cl N4 O2 P S2,C18 H32 Cl N4 O2 P S2,466.1399,9.829997,0.081599635,0.16591075,0.14102774,0.027085313,0.000655279,0.026995726,0.054399323,0.045106525,0.021532636,0.07322976,0.057672401,0.021003843,0.041860249,0.047199518
11407,C47 H85 O13 P,"PI(22:2(13Z,16Z)/16:1(9Z))",905.5962,14.501973,1.40532078,1.38898511,1.341873262,1.446561993,1.343348892,1.29796849,1.398891433,-0.987318303,-1.01207634,-0.9577824,-0.96003984,-1.05659458,-0.848838396,-1.076601401
11408,C31 H59 N11,C31 H59 N11,585.4949,15.03802,0.712554094,0.589991817,0.655965087,0.536198356,0.768832638,0.523344072,0.691984346,-0.378025147,-0.359743684,-0.399834611,-0.324080381,-0.455462269,-0.345215738,-0.399178582
11409,C31 H31 N20 O17 P,C31 H31 N20 O17 P,986.1915,16.378965,0.468216566,0.097305654,1.072072833,0.275187305,0.76804069,0.252951601,0.633996983,0.118470512,0.040850563,0.21106975,0.078454271,0.169221702,0.062560345,0.154517857
11410,C35 H62 N3 S4,C35 H62 N3 S4 Esi+13.928971,650.4017,13.928971,1.088270283,0.855851645,1.253655543,1.093300175,0.956206721,1.089632046,1.026905709,1.215022877,1.083006616,1.372515961,1.210179359,1.217674623,1.229704219,1.205557275
11411,C25 H43 N21 P,C25 H43 N21 P,668.3768,13.07698,1.816944375,1.655678804,2.060061361,1.857395055,1.826452762,1.82708049,1.840550103,1.846788895,1.702899412,2.018446524,1.887435329,1.773915902,1.824552196,1.861125715
11412,C23 H44 O5,"1,2-Didecanoyl-sn-glycerol Esi+8.853021",400.3189,8.853021,0.689424738,0.91698696,0.179526649,0.608775783,0.805745603,0.784801189,0.632527908,-0.146929464,-0.213152584,-0.067926444,-0.132650196,-0.17492223,-0.15123366,-0.14415439
11413,C50 H84 N O10 P,"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))",889.5778,14.241962,1.499766012,1.527763824,1.291413332,1.540655528,1.355067072,1.432740176,1.470097567,-0.980564335,-1.066886062,-0.877584029,-0.988513405,-0.983203922,-0.973331269,-0.985227759
11414,C20 H27 D5 O5,"5(S),6(R)-Lipoxin A4-d5 Esi+8.251982",357.2509,8.251982,0.110680596,0.059565672,0.075091242,0.393295854,0.742201423,0.210785434,0.296741374,0.016944244,0.055012825,-0.028470907,-0.28939918,0.47093115,-0.1265389,0.109453113
11415,C29 H59 N8 O4,C29 H59 N8 O4 Esi+14.797051,583.4671,14.797051,0.720127168,0.73083091,0.658554643,0.663077583,0.706899805,0.505970517,0.796358691,0.546555888,0.564012325,0.525730665,0.534894348,0.552027541,0.450402761,0.608549352
11416,C24 H34 O11,8-Epiiridodial glucoside tetraacetate,515.2325,12.01198,0.318170343,0.261047814,0.262426534,0.383085292,0.068473474,0.555401909,0.092622865,-0.117068625,-0.154312408,-0.072637446,-0.150272889,-0.05583477,-0.241704017,-0.036711596
11417,C16 H33 N O,Palmitic amide Esi+14.500981,255.2559,14.500981,1.956764903,1.921201274,1.675118264,1.815550464,1.906950131,1.872238453,1.865236336,-0.932326345,-0.97853754,-0.877197201,-0.904123592,-0.959984377,-0.893734072,-0.957208205
11418,C16 H31 Cl O3,9-hydroxy-10-chloro-hexadecanoic acid,305.1833,7.6340075,0.53798925,0.626537236,0.510251067,0.659672863,0.450849214,0.693273451,0.423723823,-0.230768332,-0.251231124,-0.20635658,-0.220347082,-0.243248086,-0.269228218,-0.205971826
11419,C59 H88 O6,"TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3] Esi+14.090016",457.3481,14.090016,0.019095336,0.091071001,0.116673791,0.090345365,0.207377992,0.028182562,0.040521588,0.059449098,0.04725696,0.073994104,0.060566291,0.072658221,0.066762107,0.054734131
11420,C30 H53 N17 O3 P,C30 H53 N17 O3 P,730.4264,14.118968,0.59232879,0.570542183,0.631689795,0.552786248,0.634927272,0.598033427,0.626675632,0.37253151,0.39599818,0.344536184,0.391372029,0.318200851,0.417185292,0.343741571
11421,C21 H39 N O6,Sphingofungin F Esi+13.804988 :2,401.278,13.804988,0.049249847,0.180730772,0.401871409,0.104135461,0.007081016,0.10060122,0.176960094,0.01847112,-0.117942416,0.181210074,0.101849078,-0.1081421,-0.026116134,0.047218165
11422,C24 H49 N O7 P,LysoPC(16:1(9Z)) Esi+11.656005,493.3162,11.656005,1.48671262,1.498963917,1.643003358,1.483191853,1.660315405,1.486672273,1.637675795,1.582107765,1.51268674,1.66492583,1.485638185,1.672783699,1.371754879,1.71773002
11423,C20 H39 N O2,Oleoyl Ethanolamide Esi+14.252985,325.2976,14.252985,1.341519799,1.443464804,1.047294788,1.368669174,1.248326384,1.475893225,1.247802971,-0.643653469,-0.752940862,-0.513275527,-0.668887307,-0.601381775,-0.71813723,-0.595631045
11424,C52 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Esi+13.520016",897.6016,13.520016,0.033906645,0.101540713,0.176843477,0.053521366,0.005091887,0.181281928,0.105420569,0.069518973,0.025100632,0.122509275,0.09533681,0.014436012,0.162840757,0.009350981
11425,C25 H55 N O6 P,2-O-methyl PAF C-16,513.4007,9.54299,1.6599806,1.790072399,1.517973305,1.6990683,1.735341696,1.762362034,1.65240309,-0.56303974,-0.5888219,-0.532282076,-0.549277897,-0.585532579,-0.525609037,-0.587172694
11426,C32 H48 O8,Montanin,582.3178,13.829989,2.262014767,2.110232579,2.501628192,2.250847937,2.401994391,2.227746058,2.368869919,1.493182761,1.404502753,1.598976454,1.42974153,1.58856413,1.400161316,1.553157114
11427,C21 H32 F2 O2,"3,3-Difluoro-5alpha-androstan-17beta-yl acetate Esi+9.934001",354.2326,9.934001,0.409329346,0.57478297,0.176684042,0.501432508,0.299059258,0.528937391,0.272500739,-0.115528264,-0.198366347,-0.016703883,-0.117444447,-0.104386319,-0.157732958,-0.088317342
11428,C48 H82 N O9 P,"PS(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+13.966003 :1",847.5643,13.966003,0.015555069,0.163809573,0.239822609,0.053697932,0.125332394,0.025381052,0.064846965,0.098561555,-0.014499807,0.233441776,0.094313943,0.093748529,0.084646337,0.107533209
11429,C20 H30 N6 O7,Tyr Glu Arg Esi+11.448981 :1,466.2179,11.448981,1.684744176,1.534343557,1.885375728,1.724611548,1.733422041,1.739947545,1.691529423,1.525948368,1.362652197,1.720757835,1.516119663,1.534866302,1.512508749,1.534613386
11430,C47 H78 N O8 P,"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Esi+14.613023",815.5448,14.613023,0.567297241,0.569100915,0.403470631,0.770414376,0.173760579,0.488126673,0.535486072,-0.288159543,-0.323899142,-0.245522828,-0.408768795,-0.128560355,-0.229135647,-0.326214423
11431,C32 H48 O5,Ganoderic acid X Esi+15.2199745,534.3282,15.2199745,0.359371561,0.330324164,0.295777497,0.332623575,0.338367547,0.311175321,0.337433008,0.265264566,0.269334428,0.260409293,0.286956944,0.208020815,0.280373787,0.255523095
11432,C31 H39 N5 O5,Ergocornine Esi+11.096997,561.2962,11.096997,1.224345106,1.030047418,1.554713812,1.240776481,1.304449042,1.044316791,1.339744287,0.508269693,0.437780166,0.592362462,0.511081611,0.51146459,0.44236467,0.550761089
11433,C47 H78 O16,Melilotoside C Esi+14.031005,915.5565,14.031005,1.036842576,0.945130293,0.958991785,1.012324526,0.862766922,0.893300643,0.999785208,-0.757175138,-0.757310525,-0.757013624,-0.698737583,-0.834735288,-0.675141121,-0.810065491
11434,C45 H70 N23 O P,C45 H70 N23 O P,979.5866,12.899975,0.216216788,0.154938312,0.948133104,0.26966142,0.332532232,0.091467836,0.39023539,0.14475208,-0.031049845,0.354480693,0.154984733,0.139044894,0.04978425,0.205981339
11435,C17 H34 O,3-Ethylpentadecan-2-one Esi+10.952971,271.2871,10.952971,0.851439843,1.060727957,0.406842866,1.034279411,0.435919106,0.973209579,0.662163295,-0.218697443,-0.294922268,-0.127762564,-0.278263148,-0.131145112,-0.290856541,-0.172173814
11436,C28 H3 Cl3 N5 O P S2,C28 H3 Cl3 N5 O P S2,624.8573,10.957013,1.198565815,1.017400706,1.411003347,1.206929493,1.192491322,1.126757808,1.242028339,0.490732037,0.4224846,0.572150031,0.515805926,0.455758702,0.518323286,0.472942942
11437,C27 H44 N4,C27 H44 N4 Esi+14.872015,424.3554,14.872015,1.091453692,1.170452787,0.826461965,1.014866708,0.985583627,1.051806543,1.008505194,-0.726587369,-0.919323488,-0.49665656,-0.727573139,-0.730456168,-0.798648718,-0.680126762
11438,C20 H38 N6 O4,Leupeptin Esi+14.117976,426.296,14.117976,0.733298223,1.123804614,0.204204961,0.730434036,0.841550597,0.779003791,0.713610237,-0.323665072,-0.543788628,-0.061061531,-0.275769548,-0.386167278,-0.33087881,-0.319014108
11439,<none>,<none> Esi+14.237042,776.0478,14.237042,0.950264823,1.154085631,0.667322951,1.061354689,0.762687503,0.896715589,0.962407403,-0.53912478,-0.658145902,-0.397134671,-0.620561545,-0.436045197,-0.423712178,-0.613535537
11440,C38 H68 N O8 P,"PE(20:4(5Z,8Z,11Z,14Z)/13:0)",719.4438,13.150962,0.451684991,0.467544819,0.406690694,0.461405853,0.386860097,0.550446397,0.430864529,0.545812905,0.599271569,0.482037657,0.648931698,0.392303777,0.661555227,0.471189566
11441,C31 H46 O2 S2,Probucol spiroquinone Esi+14.335992 :1,536.2758,14.335992,1.606322454,1.449806931,1.771479859,1.595653169,1.580083134,1.657324248,1.573957761,0.966905571,0.931345139,1.009328541,0.984046414,0.945595467,0.978494311,0.959433883
11442,C25 H47 N5 O15,2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C,657.3012,12.041993,1.615000325,1.66472014,1.440722816,1.566649925,1.616727683,1.51334301,1.620736118,-0.644765221,-0.659575564,-0.627096743,-0.629815738,-0.670011508,-0.606710896,-0.669300247
11443,C52 H93 N O16,C52 H93 N O16 Esi+14.856991,987.6494,14.856991,1.113840959,1.107592064,0.928063441,1.062581903,1.017184417,0.82968843,1.160889169,-0.809711448,-0.893596726,-0.709637782,-0.733847597,-0.930214939,-0.603656957,-0.942562369
11444,C33 H52 N O3,C33 H52 N O3,510.3927,14.739991,1.276566614,1.435071518,0.992814117,1.327633438,1.1920512,1.319992285,1.190879683,-1.109017391,-1.341440065,-0.831741219,-1.030408117,-1.245938414,-1.027331995,-1.161682975
11445,C19 H30 N6 O7,C19 H30 N6 O7 Esi+8.646981,454.2171,8.646981,0.227588431,0.477772814,0.157425182,0.372185094,0.029025566,0.759866896,0.088772198,0.397170658,0.941475356,-0.252175297,0.858386951,-0.300735376,1.463344598,-0.290230961
11446,<none>,<none> Esi+14.455019,846.4996,14.455019,0.133378005,0.079672512,0.260189452,0.25024616,0.017616135,0.245566418,0.117439252,0.102214481,0.0641013,0.147682838,0.173663406,-0.026785066,0.157867349,0.066333027
11447,C27 H54 N O9 P,PS(21:0/0:0),566.3435,13.834976,1.40330332,1.171885867,1.6120584,1.344199053,1.370888602,1.303630097,1.461237049,1.475420358,1.227905635,1.770701079,1.464744319,1.467178861,1.392745677,1.52872377
11448,C23 H40 O5,10-F2-dihomo-IsoP Esi+12.884019,396.288,12.884019,0.564235457,0.7664472,0.412096562,0.33470811,0.877673565,0.63597787,0.618738749,0.714170361,0.966791286,0.41279803,0.576423174,0.844165776,0.702911867,0.721429127
11449,C30 H48 O4,C30 H48 O4,472.3538,15.701977,0.891874537,0.80977626,0.778552451,1.01076174,0.688749222,0.839209528,0.780096538,-0.479829898,-0.545780014,-0.401152567,-0.493911811,-0.478879833,-0.497508681,-0.468431736
11450,C29 H50 O6,28-Homobrassinolide Esi+14.281005,494.3655,14.281005,0.402656427,0.619819011,0.088337075,0.56422127,0.221379023,0.415951587,0.319843815,-0.36292364,-0.632576246,-0.041232812,-0.506368689,-0.15998601,-0.403236991,-0.336932137
11451,C24 H52 N5 S3,C24 H52 N5 S3,506.3414,14.958007,0.515633767,0.795108775,0.203034743,0.713164419,0.213188936,0.655090005,0.404498176,-0.308019171,-0.525558446,-0.048498632,-0.472162741,-0.095143191,-0.378881469,-0.262331636
11452,C38 H62 O12,"(3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside Esi+13.834976",710.4206,13.834976,0.938028175,0.844056003,1.077491588,0.878809202,1.003114467,0.802695755,1.067626173,0.779831244,0.704135625,0.87013479,0.759799168,0.800536202,0.693930072,0.835214895
11453,C22 H47 N4 O3 P S2,C22 H47 N4 O3 P S2,510.281,11.347988,1.289668403,1.141395213,1.536095223,1.333232186,1.215632429,1.32474744,1.292824115,1.491314207,1.363782038,1.643457848,1.576711932,1.341069451,1.519138238,1.47337503
11454,C35 H66 N25 O10,C35 H66 N25 O10,996.5455,14.245041,0.636317872,0.265106479,0.959191377,0.46612984,0.761953687,0.127062004,0.836686345,0.261747588,0.111393143,0.441117804,0.185408645,0.366652599,0.032226291,0.409728425
11455,C21 H37 N O4,C21 H37 N O4 Esi+10.29002,367.2727,10.29002,0.237094754,0.192842059,0.558765663,0.336072068,0.373640984,0.500969993,0.195777123,0.270512924,0.214202975,0.337689705,0.270548893,0.24571482,0.388121052,0.194686631
11456,C32 H42 O16,Bruceoside A Esi+11.917986,682.2535,11.917986,0.494705412,0.541608747,0.326023015,0.712941285,0.086329947,0.612190951,0.37170129,0.355313687,0.379796171,0.326106514,0.507760396,0.118251437,0.442615722,0.299026849
11457,C29 H57 N O9 P,PC(16:0/5:0(CHO)) Esi+14.351018,594.3726,14.351018,1.138160261,0.922495953,1.407727154,1.137110933,1.12041482,1.169139028,1.096924128,0.943824703,0.801558462,1.113545833,0.919350579,0.955733697,0.922394779,0.957641365
11458,C22 H44 F N O,N-(2-fluro-ethyl)-eicosanoy amide; N-eicosanoyl-(2'-fluoroethyl)amine Esi+13.237041,374.366,13.237041,0.91112654,1.002873188,0.622350175,0.740133911,0.928357471,1.04403869,0.726103529,-0.433634434,-0.488916509,-0.36768389,-0.385218165,-0.478480352,-0.517710291,-0.379427632
11459,C25 H27 N10 O3 P,C25 H27 N10 O3 P Esi+14.927001,546.2008,14.927001,0.937175476,1.216862377,0.443003677,1.09805424,0.624950028,1.053497159,0.799650057,-1.100329886,-1.497775369,-0.626184398,-1.247089552,-0.893378916,-1.339513195,-0.946119595
11460,C27 H46 N6 O3,C27 H46 N6 O3,502.3565,14.591003,0.226195513,0.267168735,0.014318085,0.228807756,0.119281877,0.050116136,0.293764988,0.03338885,-0.054870982,0.138681282,0.06284523,-0.022942951,0.298839922,-0.137757235
11461,C40 H64 O12,Nonactin Esi+14.34797,736.436,14.34797,0.57379986,0.700063794,0.328711245,0.574100059,0.570603066,0.498211183,0.564448196,-0.304541149,-0.429584202,-0.155366982,-0.231316134,-0.42530178,-0.229038272,-0.353220636
11462,C20 H35 N8,C20 H35 N8 Esi+10.079004,387.297,10.079004,0.295621427,0.271645577,0.208869419,0.082641656,0.477776559,0.049865784,0.455811071,0.175303348,0.184809177,0.163963061,0.122143395,0.256245729,0.059553625,0.24993146
11463,C32 H61 N O3,"Cer(d14:2(4E,6E)/18:0)",524.4919,13.770997,1.990473131,2.024541349,1.903088179,1.779931045,2.268537628,2.039194581,1.961084299,-1.007700638,-1.077508165,-0.924421483,-0.925090792,-1.128470518,-1.024376652,-0.996948998
11464,C39 H62 O5 P S,C39 H62 O5 P S,673.4039,14.166993,1.277624919,1.494534749,0.855786562,1.427648279,0.995986239,1.421640205,1.075485505,-1.146852728,-1.5015632,-0.723689359,-1.254027836,-0.955227239,-1.310939922,-1.041059669
11465,C34 H57 N O5 P S,C34 H57 N O5 P S Esi+14.406005 :1,622.3712,14.406005,0.516041958,0.283844179,0.859672926,0.522977512,0.460575664,0.673486801,0.40980667,0.464342008,0.303856796,0.655798051,0.510885807,0.383119083,0.589798201,0.383455779
11466,C24 H55 Cl N5 S,C24 H55 Cl N5 S,480.3799,14.868964,1.137291366,1.26717397,0.895515471,1.144309947,0.990586674,1.23133493,1.026801422,-1.050971832,-1.313271562,-0.738052857,-1.108458892,-0.965722085,-1.185621554,-0.964158196
11467,C17 H28 N6 O5,Gln His Ile Esi+11.459987,396.2102,11.459987,2.024126602,1.941822683,2.277349579,1.962425846,2.227425842,2.0409028,2.096574997,2.269746443,1.968661845,2.628935086,2.187442652,2.389335151,2.170207274,2.333923013
11468,C37 H52 N2 O11,Septentriodine,700.3557,16.238024,1.423068861,1.348912418,1.712599786,1.503554152,1.544835726,1.63620864,1.384242194,0.698230456,0.639914522,0.767800342,0.723322144,0.652050007,0.725560169,0.680609983
11469,C26 H36 N8 O S,C26 H36 N8 O S,508.2569,12,0.90833891,0.632283021,1.266889047,0.883979026,0.912601547,0.933379913,0.894332862,0.758096245,0.569148049,0.983508128,0.7550205,0.763465428,0.78073519,0.743500083
11470,C30 H53 N21 P,C30 H53 N21 P,736.4368,13.954031,1.145650038,0.910756409,1.531391209,1.121498246,1.217673152,1.028318957,1.239671551,0.890467551,0.723258831,1.089944621,0.868278557,0.920655083,0.763592907,0.972268309
11471,C37 H62 O12,Cyclopassifloside X Esi+13.610031,718.4006,13.610031,0.211251457,0.341734219,0.126759277,0.199600461,0.171035514,0.082581361,0.2436706,-0.103347867,-0.313802053,0.147720285,-0.027780807,-0.224824035,-0.077789485,-0.119826297
11472,C30 H41 N10 O P,C30 H41 N10 O P,588.3201,14.395997,1.445071185,1.408042738,1.321647386,1.357873841,1.501840472,1.184819309,1.453706221,-0.835326331,-0.864064466,-0.80104224,-0.768858659,-0.898155317,-0.758746871,-0.884699931
11473,C16 H32 N O4,"2,6 dimethylheptanoyl carnitine Esi+7.847016 :1",301.2244,7.847016,0.414966181,0.531417811,0.260473753,0.500948297,0.284744603,0.53070266,0.323532532,-0.271689066,-0.336129288,-0.194813012,-0.296121615,-0.243871869,-0.328957294,-0.23476613
11474,C38 H66 N23 P,C38 H66 N23 P,873.5911,14.243968,0.398451214,0.405890232,0.416567311,0.358061153,0.405354958,0.464045613,0.364900507,0.345933346,0.353514392,0.336889291,0.316959074,0.371482064,0.380193028,0.323844866
11475,C46 H76 O16,(25R)-spirost-5en-3beta-ol 3-O-alpha-L-rhamnopyranosyl-(1-2)-[alpha-L-rhamnopyranosyl-(1-4)]-beta-D-glucopyranoside Esi+14.495043,906.5008,14.495043,0.364685014,0.063827856,0.856293649,0.350203345,0.445915489,0.427534158,0.399428452,0.152303342,0.004111083,0.329094107,0.113527828,0.17776739,0.143293161,0.158112538
11476,C34 H52 O10,"(1alpha,3beta,20S,22R,24S,25S)-Pubescenin Esi+14.459975",620.3551,14.459975,0.864280604,0.591106067,1.238682385,0.879199259,0.804760073,0.932695876,0.800364016,0.651219059,0.5022631,0.828920904,0.67198217,0.60977663,0.672335789,0.637604324
11477,C48 H79 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) Esi+14.864013",845.5843,14.864013,1.097301075,1.019928959,1.018025969,1.057370279,0.970873992,0.92453267,1.060559901,-1.132088863,-1.151937469,-1.108409824,-1.043897174,-1.267859954,-1.067025748,-1.174037451
11478,C34 H70 Cl3 N3 O2,C34 H70 Cl3 N3 O2,657.4498,15.297052,0.779902343,0.872263341,0.541155358,0.750828889,0.633564501,0.654035373,0.698222018,-0.506788242,-0.65275741,-0.332649586,-0.436805807,-0.60654402,-0.434504989,-0.553391919
11479,C36 H54 O9,Ganoderic acid Mc Esi+13.873024,630.3746,13.873024,1.401162928,1.362554629,1.280794911,1.330039247,1.303087841,1.279784874,1.415043635,1.314379181,1.302122519,1.329001162,1.322058534,1.309119721,1.215363205,1.378218428
11480,C24 H39 Cl N8 O2 S,C24 H39 Cl N8 O2 S,538.2598,5.415002,0.248399022,0.227281199,0.091979302,0.331514963,0.102934116,0.416236353,0.073309307,0.281182897,0.353429322,0.19499418,0.399161872,0.165276983,0.39494999,0.207833061
11481,C28 H55 N O4 S,(Z)-2-Hexacos-17-enamidoethanesulfonic acid Esi+15.322018,250.1927,15.322018,1.621100014,1.648246639,1.51593769,1.576311041,1.565627226,1.697300991,1.525039538,-1.684221267,-1.82106606,-1.52096783,-1.681029215,-1.698069926,-1.61113621,-1.731341896
11482,C41 H70 O13,Ginsenoside F5 Esi+13.496023,770.4814,13.496023,0.255741951,0.214690597,0.19465767,0.272184183,0.172639991,0.208332877,0.267533031,0.258764906,0.206112486,0.321578319,0.296147024,0.173703826,0.275539419,0.247949759
11483,C42 H72 N23 O2 P,C42 H72 N23 O2 P,961.5966,14.15302,0.572968947,0.357698592,0.725999961,0.500201538,0.526626164,0.484787644,0.55813345,0.673535935,0.502421831,0.877672059,0.624981966,0.718271987,0.657920941,0.683603497
11484,<none>,<none> Esi+13.8669615,596.7523,13.8669615,0.674184886,0.667675808,0.71004627,0.655005623,0.690475432,0.851685402,0.601836098,0.312897837,0.323944649,0.299719184,0.316302241,0.290259602,0.392133893,0.261811432
11485,C26 H42 N3 O4,C26 H42 N3 O4,460.3183,14.402032,0.856982142,0.988710153,0.637162003,0.921866616,0.728368261,0.777479004,0.815300831,-0.451712787,-0.542982668,-0.342829421,-0.456955189,-0.465689216,-0.416006614,-0.474733873
11486,C36 H69 O10 P,PG(12:0/18:1(9Z)) Esi+15.028004,709.4974,15.028004,1.584792937,1.682797568,1.424254442,1.646447811,1.607981271,1.633753331,1.573032813,-0.974456315,-1.013821536,-0.927494297,-0.938229432,-1.011642976,-0.928943391,-1.003800174
11487,C39 H74 Cl2 N25 O2,C39 H74 Cl2 N25 O2 Esi+14.122013,994.5841,14.122013,0.041590888,0.141630623,0.152683283,0.006101153,0.050504759,0.009871976,0.010284755,0.047088588,-0.028309059,0.137036659,0.08476232,-0.02372663,0.066552408,0.034539547
11488,C35 H54 O3,Panaxydol linoleate Esi+14.614013,539.4302,14.614013,0.026963868,0.132570524,0.060153452,0.024217451,0.021231445,0.082416206,0.104968447,0.112134772,0.196210651,0.011833724,0.134209699,0.039411214,0.127905142,0.101967034
11489,C11 H16 O3,Isobutyl 2-furanpropionate Esi+6.994012,196.1098,6.994012,1.030070992,1.022650686,0.928104937,1.183951197,0.818249787,0.930306059,0.990805719,-0.511278624,-0.507216141,-0.516125096,-0.526855262,-0.502368325,-0.471103102,-0.537181264
11490,C35 H54 O13,Evobioside Esi+12.038996,682.3544,12.038996,1.751807988,1.67656602,1.832210957,1.779902225,1.700024321,1.841835105,1.698464999,1.965329011,1.892312014,2.052437007,2.028899239,1.855154299,1.934690166,1.985083002
11491,C25 H22 O6,Millettin Esi+9.421,440.1243,9.421,1.192296856,1.209565306,1.323731623,1.009100911,1.608816218,1.083958432,1.432728695,0.830675007,0.753872841,0.922298642,0.63860349,1.098003768,0.656599104,0.942908155
11492,C36 H70 N22 O2 S3,C36 H70 N22 O2 S3,938.5223,13.876971,0.021914606,0.013167093,0.113843855,0.01688671,0.021069915,0.063492517,0.009814033,0.180196699,0.10938598,0.264672644,0.230700361,0.074290044,0.205720692,0.163740439
11493,C19 H37 N8 O3 P,C19 H37 N8 O3 P Esi+11.121005,456.2708,11.121005,0.259808555,0.223323246,0.328713682,0.289133792,0.194725899,0.537984292,0.097623021,0.279954994,0.238855753,0.328985667,0.39630571,0.106770323,0.521875289,0.123980067
11494,C23 H33 N O,Evocarpine,339.2514,4.768002,0.300058596,0.289018159,0.421046792,0.477727552,0.350270375,0.049693474,0.474014995,0.417061089,0.332640484,0.51777339,0.496815798,0.340640291,0.113130148,0.613016564
11495,C40 H66 O16,Diospolysaponin A,824.4118,13.089031,1.5704317,1.28209955,1.827543046,1.490832691,1.682276216,1.385456552,1.637889703,0.581713725,0.471025728,0.713762563,0.570902744,0.604890078,0.534798673,0.611961587
11496,C24 H40 N6 O6,C24 H40 N6 O6 Esi+12.906005,508.3018,12.906005,1.7794188,1.618429452,1.818629321,1.597183034,1.869866606,1.636480918,1.825210136,2.094618168,1.940463551,2.278521922,1.945707432,2.267391744,1.986175606,2.164535083
11497,C43 H84 N O8 P,PE(20:0/18:1(9Z)),772.581,15.684029,1.95549114,2.121376772,1.758745549,2.1278949,1.873295717,2.180936788,1.90216833,-0.86559673,-0.937957046,-0.779272142,-0.904761236,-0.788555977,-0.942018583,-0.816324746
11498,C22 H27 D5 O2,Docosahexaenoic Acid-d5 Esi+11.290021,350.293,11.290021,0.986761695,0.94120258,0.954667644,0.901767668,0.979355002,0.943323554,1.016600036,0.714977351,0.703862903,0.728236693,0.665785012,0.774514368,0.732642322,0.703588094
11499,C40 H54 O7 S,Erythroxanthin sulfate Esi+15.954039,678.3557,15.954039,0.810560693,0.985668485,0.3546671,0.830472816,0.758521246,0.938651516,0.691336501,-0.269152256,-0.377332087,-0.140095615,-0.295813038,-0.232187461,-0.303083314,-0.247275653
11500,C48 H76 N13 O10,C48 H76 N13 O10 Esi+14.562011,994.5844,14.562011,0.385877371,0.411541964,0.281825389,0.380675461,0.276695998,0.259486561,0.409883521,-0.203895817,-0.166004951,-0.249098955,-0.123656366,-0.318051439,-0.025800477,-0.318720444
11501,C40 H77 O8 P,PA(22:1(11Z)/15:0) Esi+14.782973,716.5396,14.782973,1.540962185,1.477619214,1.577768604,1.469135079,1.651827341,1.353607656,1.623498622,-1.238191643,-1.313831258,-1.147954909,-1.071428659,-1.490110037,-1.071326688,-1.345775627
11502,C29 H38 O2 P,C29 H38 O2 P,449.2625,9.366971,1.368715431,1.38377735,1.119284711,1.39206261,1.223427518,1.418738936,1.257136763,1.729202934,1.804147026,1.639795947,1.691927595,1.740794967,1.784756721,1.693385361
11503,C21 H28 O8,3-O-Methylniveusin A Esi+8.848015,408.1762,8.848015,0.250376803,0.219450726,0.234090503,0.180219493,0.313767861,0.529665713,0.059952586,0.203537207,0.213946717,0.191118844,0.198954037,0.182312318,0.370934681,0.095609888
11504,C22 H26 O6,Gingerenone B Esi+10.495998,408.16,10.495998,1.347045231,1.514368636,1.22353171,1.366276652,1.482633082,1.510929234,1.377387737,1.412732244,1.367713753,1.466438514,1.302723286,1.570504746,1.37673493,1.435941039
11505,C9 H12 O3,4-Ipomeanol Esi+4.8369956 :1,168.0783,4.8369956,0.47114707,0.292165026,0.72121732,0.160123299,0.79617158,0.467044551,0.461354691,0.537355516,0.314602562,0.803095882,0.342437842,0.800137137,0.593567316,0.501113698
11506,C33 H72 N21 O4,C33 H72 N21 O4,824.6056,14.460991,0.472174379,0.51967342,0.342810764,0.581064806,0.349943537,0.513119121,0.434721869,-0.418593149,-0.499541338,-0.322023379,-0.433515328,-0.403734906,-0.485763141,-0.37528618
11507,C20 H45 N10 O2 P,C20 H45 N10 O2 P,488.347,15.221974,0.945870095,1.130295866,0.603208587,0.970566949,0.8676742,1.049441774,0.840053527,-0.603846904,-0.802365917,-0.367017205,-0.54115322,-0.708433919,-0.563076438,-0.630133126
11508,C38 H65 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/12:0) Esi+13.683032 :1",734.4219,13.683032,0.240402377,0.087386793,0.454063582,0.229225546,0.229691021,0.356622497,0.14580352,0.204070361,0.072567473,0.360950999,0.239909075,0.140671826,0.262210676,0.166585158
11509,C40 H62 O14,"(3b,5a,25R)-3-Hydroxyspirostan-6-one 3-[2-acetylarabinosyl-(1-6)-glucoside]",788.3915,13.979985,1.296646281,1.261781491,1.128298808,1.346542826,1.089074627,1.240262251,1.193665868,-0.575090369,-0.606729553,-0.537345378,-0.592546155,-0.548571667,-0.586982299,-0.567423204
11510,C31 H42 N20 O,C31 H42 N20 O,710.3852,12.116964,0.468188762,0.244571444,0.650952598,0.426745065,0.395216699,0.56288487,0.372107292,0.282360219,0.208479205,0.370498973,0.335776956,0.195392247,0.370621218,0.225455102
11511,C39 H61 O8 P,"PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) Esi+14.125983",710.4037,14.125983,1.507634814,1.613584906,1.138243692,1.414998509,1.416884354,1.520634015,1.390739551,-1.410041019,-1.480083483,-1.326481589,-1.366958947,-1.453436193,-1.534368503,-1.32988251
11512,C48 H83 N O8 P,"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.617976 :1",831.5731,14.617976,1.320031153,1.386185226,0.990548376,1.342331882,1.125545759,1.205909981,1.279708729,-1.417424803,-1.650750294,-1.139071586,-1.408025707,-1.42362552,-1.400328224,-1.428447598
11513,C20 H32 O3,"5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S Esi+12.520997",320.2338,12.520997,0.725019157,0.95125017,0.323732905,0.863314862,0.602376947,0.81409838,0.696793031,-0.735582387,-0.961700454,-0.4658275,-0.791966949,-0.626465965,-0.790775346,-0.699997452
11514,C28 H61 N O6 P,PC(O-20:0/0:0) Esi+13.262959,555.4473,13.262959,0.485011509,0.467926774,0.399555532,0.593721411,0.371588182,0.370759278,0.433789356,-0.578852639,-0.647309006,-0.497185395,-0.69726318,-0.47450844,-0.495262461,-0.632746307
11515,C44 H92 N5 O10 P S2,C44 H92 N5 O10 P S2,945.6038,14.354003,1.332487004,1.383848729,1.057176662,1.294246824,1.209855287,1.155104134,1.327916493,-0.781007137,-0.877249359,-0.666191855,-0.720793889,-0.874784999,-0.691730183,-0.838567279
11516,C22 H45 N O,Docosanamide Esi+12.900957,361.3341,12.900957,1.309567423,1.567230792,1.063308651,1.457340079,1.248386054,1.772152432,1.193837455,-0.398149664,-0.520550027,-0.252128179,-0.428584013,-0.346516103,-0.511853945,-0.324840325
11517,C42 H68 O14,Jujubasaponin VI Esi+13.833986,796.4599,13.833986,0.447488707,0.478345358,0.317292063,0.486345161,0.311935295,0.451742124,0.344884523,-0.558443122,-0.65154513,-0.44737406,-0.568579646,-0.55262231,-0.665300966,-0.489547933
11518,C43 H67 N25 O2 P,C43 H67 N25 O2 P,994.5856,14.122008,0.763365845,0.697458427,0.780264689,0.770937973,0.658940377,0.737757017,0.775449145,0.589996115,0.585865255,0.594924158,0.630052121,0.512732884,0.623672153,0.568283932
11519,C56 H82 O6 S,Sulfated Dihydromenaquinone-9 Esi+14.261979,882.5859,14.261979,0.524003071,0.475143197,0.614695572,0.727315899,0.398622405,0.471099462,0.63641655,0.404792243,0.379516854,0.434945338,0.488716728,0.265901261,0.392340903,0.41282008
11520,C30 H44 O9,Cymarin Esi+12.943026,547.2887,12.943026,0.323262988,0.274451757,0.454358919,0.495844729,0.248293801,0.214412048,0.400975263,0.260470965,0.228448155,0.298673615,0.310651012,0.216321219,0.138707245,0.338976521
11521,C30 H38 O4 S,C30 H38 O4 S,494.2485,10.269023,1.672058692,1.518863397,1.982717322,1.592088759,1.851806037,1.638211541,1.77492444,1.581795848,1.399395187,1.799396637,1.555984611,1.60408245,1.525816482,1.617887808
11522,C32 H62 Cl3 N2 O4,C32 H62 Cl3 N2 O4,643.389,14.011977,0.966422862,1.392103474,0.144797597,0.947359339,0.853290394,1.064271186,0.866225434,-0.30727663,-0.508680794,-0.067004995,-0.299962256,-0.310239393,-0.366153519,-0.26931653
11523,C24 H36 O4,"3alpha,12alpha-Dihydroxy-5beta-chola-8,14-dien-24-oic Acid",410.2432,13.33001,2.145068069,2.160258593,2.043595195,2.074172632,2.280537696,2.241076007,2.085004048,-0.904701802,-0.9509491,-0.849529586,-0.90296698,-0.895391001,-0.939177829,-0.882473837
11524,C43 H70 N17 O4 P,C43 H70 N17 O4 P Esi+13.788999,919.5571,13.788999,0.353252277,0.365184647,0.172223518,0.071935216,0.596297919,0.028163322,0.511017947,-0.155988013,-0.197982723,-0.10588906,0.022230788,-0.419068815,0.074628601,-0.30467504
11525,C34 H59 N21 O2 P,C34 H59 N21 O2 P,824.4885,13.563981,0.309509517,0.314203016,0.22769817,0.338447412,0.153459832,0.310214665,0.216179878,-0.224991163,-0.237931837,-0.209553167,-0.202679525,-0.275904052,-0.240177174,-0.215200183
11526,C23 H44 N O9 P,PS(17:1(9Z)/0:0) Esi+11.120012,508.2647,11.120012,1.633291228,1.51435198,1.743928692,1.591164611,1.680952785,1.700983453,1.603769195,1.76967729,1.647072499,1.915942655,1.736550352,1.801568546,1.851265369,1.71707445
11527,C23 H38 O5,8-iso Prostaglandin E2 isopropyl ester Esi+13.331036,394.2665,13.331036,1.633149366,1.742593695,1.498068305,1.738983839,1.696653133,1.86151765,1.674271314,-1.356680776,-1.550236844,-1.125771783,-1.397007722,-1.313664639,-1.591712396,-1.205147232
11528,C23 H42 N3 O2,C23 H42 N3 O2,390.3361,14.853023,1.035098586,0.941742921,1.122641771,1.061135084,1.064390189,0.828638656,1.167904453,0.642744813,0.575376722,0.723113764,0.609778696,0.672248276,0.509137489,0.728886377
11529,C55 H74 N5 O S,C55 H74 N5 O S,852.5608,13.291993,0.533274158,0.527814555,0.522936673,0.39266949,0.644519255,0.357501826,0.60299811,0.763409559,0.883939782,0.619619118,0.62579898,0.916189449,0.755812928,0.768307388
11530,C49 H74 O14,Avermectin A1a,903.5372,8.645013,0.780182141,0.525028148,1.104474772,0.691212255,0.935787577,0.683856054,0.853040381,0.247979002,0.186662227,0.321128838,0.217158963,0.295120997,0.209401652,0.27285124
11531,C23 H49 N8 P,C23 H49 N8 P Esi+15.149966,468.3814,15.149966,1.576008611,1.707036706,1.195150351,1.566080371,1.404929262,1.545016456,1.475910443,-1.528981447,-1.808522657,-1.195493687,-1.550713143,-1.510872412,-1.579290973,-1.496545041
11532,C29 H56 O2,"12,14-Nonacosanedione",453.454,13.895997,0.198135504,0.355523589,0.04024309,0.297772272,0.004446648,0.295461536,0.117328197,-0.0930991,-0.154685563,-0.019627529,-0.152636075,-0.011920614,-0.155568491,-0.052822781
11533,C14 H22 O4,C14 H22 O4 Esi+7.713011,254.1481,7.713011,0.201552552,0.305975137,0.024562893,0.062447503,0.386469095,0.114775499,0.374683495,-0.045799046,-0.118176292,0.040545739,0.07448789,-0.227843822,0.114340442,-0.149046874
11534,C26 H57 N O5 P,C26 H57 N O5 P,494.3966,15.368959,1.363911807,1.516627833,0.975479601,1.310334457,1.222789828,1.244079635,1.297658145,-0.779968762,-0.924264087,-0.607826971,-0.714226764,-0.893944287,-0.709850186,-0.825176791
11535,C67 H96 O6,"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]",995.717,13.762959,0.182185526,0.107483719,0.343956667,0.057959381,0.331879554,0.346707189,0.137968636,0.105962477,0.078516939,0.138704521,0.098437412,0.101605964,0.211653735,0.037819428
11536,C38 H45 N5 O5,Scutianine F Esi+13.095968,668.3756,13.095968,1.468995249,1.387677602,1.563660543,1.306303437,1.66133621,1.371730414,1.540135461,1.681450678,1.53414137,1.857188097,1.560296743,1.854934723,1.598041734,1.735227496
11537,C23 H43 N5 O4 P,C23 H43 N5 O4 P,484.324,13.812991,0.705380566,0.498625074,1.009569154,0.761613034,0.649961803,0.786833665,0.682346696,-0.494441622,-0.320637994,-0.7017863,-0.474172934,-0.495613185,-0.464998381,-0.513424764
11538,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.337966 :1",350.3291,13.337966,0.753555272,0.928465558,0.629092914,0.822767306,0.701741963,1.011519915,0.663049799,-0.420112279,-0.451539048,-0.382620696,-0.463481364,-0.358520827,-0.464712958,-0.391356579
11539,C32 H60 N2 O3 S2,C32 H60 N2 O3 S2 Esi+15.062011,584.4008,15.062011,0.184285407,0.020110884,0.379132413,0.143030602,0.14552143,0.349074318,0.003142703,0.042222031,0.175907968,-0.117262948,0.097346327,-0.029626341,-0.122454927,0.148395333
11540,C25 H54 N6 P,C25 H54 N6 P Esi+9.550023,469.4012,9.550023,0.774889356,0.920901473,0.602749196,0.826807753,0.737987317,0.821901775,0.753048003,-0.21638355,-0.264670497,-0.158778068,-0.214709491,-0.219809295,-0.237147006,-0.202996584
11541,C22 H27 N24,C22 H27 N24,627.2875,12.101002,1.655501753,1.684646348,1.635180379,1.68334169,1.613095165,1.52960065,1.717176493,-1.510976368,-1.584030673,-1.423823865,-1.630308575,-1.361824374,-1.545808807,-1.488518612
11542,C32 H52 O9,Tokoronin Esi+13.500982,602.3387,13.500982,0.356930933,0.24026553,0.432298771,0.486375008,0.073702045,0.476034003,0.270872135,0.361115299,0.291282883,0.444424146,0.504600703,0.146292807,0.455112172,0.300512052
11543,C9 H17 N O2,C9 H17 N O2,171.126,0.85499924,0.281745527,0.352509681,0.085940217,0.331476517,0.093495078,0.288116125,0.202602596,0.209948623,0.270279217,0.137975283,0.337907788,0.032445777,0.304575875,0.148938948
11544,C36 H65 N O13,Erythromycin C Esi+13.159979,719.4482,13.159979,0.511215975,0.327717013,0.708536154,0.572008008,0.370264799,0.602757879,0.454353501,0.782184287,0.568872678,1.036661295,0.946819473,0.533492659,0.898034967,0.707491086
11545,C19 H21 N O3,N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide Esi+11.72703 :1,311.1521,11.72703,0.242788615,0.277773597,0.030977481,0.281757678,0.147902724,0.263340489,0.113550719,-0.12125588,-0.24056542,0.021078308,-0.051249059,-0.213982202,-0.138849472,-0.109912644
11546,C16 H26 O6,Perilloside A Esi+6.1459966,314.1721,6.1459966,0.176897598,0.04946578,0.288553199,0.166080025,0.115586552,0.107553863,0.218188068,-0.008077683,0.043533628,-0.069649071,0.016039175,0.002271893,0.072428974,-0.059983291
11547,C34 H51 N,"N-Methylindolo[3,2-b]-5alpha-cholest-2-ene",473.4055,9.541014,0.473683671,0.574688689,0.346501367,0.478031799,0.470797133,0.293723169,0.559849314,-0.168352508,-0.192490804,-0.139555945,-0.158330487,-0.192860457,-0.126394934,-0.195404102
11548,C30 H39 N9 O6,Z-Arg-Arg-NHMec,638.3277,12.045985,0.507474227,0.432809084,0.55441386,0.56697119,0.396302475,0.582196382,0.47985918,0.477851261,0.4135821,0.554523243,0.550767748,0.374485277,0.530489256,0.443913607
11549,C48 H90 N2 O8 S4,C48 H90 N2 O8 S4,948.5426,14.351019,0.645539662,0.71323713,0.410803199,0.690604441,0.540458783,0.527138752,0.644335536,-0.507241847,-0.71102659,-0.264130225,-0.504989008,-0.546704791,-0.470699671,-0.530801935
11550,C19 H37 N14 O3 P,C19 H37 N14 O3 P Esi+9.892006,540.2907,9.892006,1.76629336,1.644240745,1.914891882,1.713873024,1.893679774,1.74137833,1.827622732,2.056272894,1.899241983,2.243608017,1.94361452,2.22456827,1.982054027,2.104124533
11551,C25 H43 N23 O4 P,C25 H43 N23 O4 P Esi+13.454026,760.3612,13.454026,1.323444912,1.208273297,1.396232062,1.340481066,1.321340299,1.220454814,1.372777312,0.968614994,0.849324618,1.110926319,0.956447712,0.977552099,0.857261351,1.04040879
11552,C17 H31 N O4,C17 H31 N O4 Esi+8.079981,313.225,8.079981,0.008235085,0.065236718,0.070562776,0.184614637,0.373467824,0.369988942,0.279484311,0.024757197,0.026286541,0.022932716,-0.113142295,0.286808507,-0.226334975,0.186645571
11553,C49 H81 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+14.500981",908.5412,14.500981,0.11828559,0.265616054,0.174828424,0.206229531,0.107524173,0.390451897,0.085127106,0.006004145,-0.205041138,0.257777465,-0.099940384,0.171207113,-0.256719768,0.175391931
11554,C37 H60 O12,Glucosyl passiflorate Esi+13.417984,718.3903,13.417984,0.597059082,0.432358837,0.722246113,0.59955406,0.46564943,0.609829754,0.511010946,0.340900001,0.25237268,0.446511542,0.387977367,0.274745165,0.373654416,0.319782023
11555,C30 H58 O2,"26:1(5Z)(13Me,17Me,21Me,25Me)",467.4692,14.010009,0.385325133,0.549772055,0.147296703,0.552260977,0.125624633,0.593845448,0.213756681,-0.331227269,-0.473247799,-0.161799269,-0.486718058,-0.113715895,-0.587133569,-0.16623505
11556,C41 H66 O13,Tautomycin,766.4474,13.945011,0.405237028,0.338959132,0.424551731,0.42421424,0.309682228,0.118324757,0.58090837,0.455554459,0.422620392,0.494844223,0.535327172,0.36674564,0.106326683,0.680714473
11557,C33 H44 N2 O8,"(5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)methyl ester",596.3163,12.154027,1.204878877,1.143487245,1.107918793,1.090133082,1.111791237,1.046378421,1.171011215,2.120479979,2.149577511,2.085767133,2.100951339,2.104034307,2.088851755,2.14087186
11558,C23 H38 O9,[6]-Gingerdiol 5-O-beta-D-glucopyranoside Esi+8.900997,480.234,8.900997,0.794892851,0.797931325,0.865439649,0.917928182,0.697170014,1.074988856,0.693591014,0.892862311,0.828565188,0.969567651,0.981733551,0.746845623,1.071798304,0.777495684
11559,C32 H58 O5,"DG(12:0/17:2(9Z,12Z)/0:0)[iso2] Esi+15.071032",522.4266,15.071032,1.122601507,1.273864359,0.708758089,1.193674334,0.968856474,1.169106386,1.00300998,-0.656526052,-0.917561377,-0.345115489,-0.660963512,-0.65649857,-0.757362585,-0.591513025
11560,C36 H36 N4 O8,Dehydroisocoproporphyrin Esi+9.156988,669.2846,9.156988,0.871721537,0.897800846,0.702041148,0.921885521,0.519574404,0.862506576,0.762951515,-0.58416323,-0.654900645,-0.499774735,-0.715988991,-0.417453472,-0.694905246,-0.512763772
11561,C43 H72 N23 O P,C43 H72 N23 O P,957.6051,14.460999,1.577371083,1.55736078,1.469773243,1.586010374,1.490614322,1.407116392,1.669235012,-0.995840471,-1.069084189,-0.908462,-0.950298117,-1.040018931,-0.873760914,-1.074549659
11562,C46 H74 O17,Hovenoside I,898.501,15.199967,1.792441104,1.674142246,2.00380942,1.919551012,1.749654352,1.809761839,1.830357636,0.739995026,0.706884625,0.779495153,0.755110378,0.712680463,0.722364773,0.751361899
11563,C43 H73 Cl2 N4 O3 P,C43 H73 Cl2 N4 O3 P,794.479,14.115981,0.184330622,0.262003997,0.144678696,0.341779715,0.071723089,0.361440454,0.058876587,-0.092886298,-0.267228907,0.115101376,-0.20619495,0.001944408,-0.429243491,0.123975577
11564,C45 H72 N3 O15,C45 H72 N3 O15,894.4964,13.81102,1.271547256,1.132294807,1.16059798,1.12167658,1.292386332,0.987557932,1.323314465,-0.809613052,-0.867124451,-0.741002962,-0.694793936,-0.988736022,-0.663936386,-0.903536166
11565,C16 H28 N6 O4,Pro Arg Pro Esi+9.938985 :2,368.2168,9.938985,2.234227856,2.122952164,2.420119631,2.159157897,2.41823611,2.023470552,2.414802513,2.392942433,2.139248892,2.695594377,2.204146632,2.647651532,2.169460281,2.53702961
11566,C33 H44 O4 S,C33 H44 O4 S,534.281,11.754972,1.773186977,1.590422526,2.009654296,1.727744343,1.836793983,1.642571201,1.86654133,1.853035475,1.635292904,2.112798542,1.794491452,1.922727945,1.728292266,1.933462018
11567,C22 H52 N16 P,C22 H52 N16 P,571.4286,12.793965,1.351697031,1.544834623,1.24454061,1.516892648,1.512778795,1.523239929,1.424039539,-1.113294957,-1.364511554,-0.813597964,-1.050641218,-1.189305794,-1.103258949,-1.119765541
11568,C31 H53 N5 O8,Hydroxyhomodestruxin B Esi+13.900958,645.3741,13.900958,0.280663234,0.51921573,0.034273375,0.394607855,0.075645123,0.229693414,0.216967947,-0.113873161,-0.255243326,0.054778966,-0.19050855,0.003044943,-0.130642539,-0.103061325
11569,C43 H56 O24,Hexandraside C,956.3244,7.225987,1.384120355,1.471985625,1.158623203,1.381843781,1.212512011,1.378439696,1.313849914,0.59923126,0.649655427,0.539076113,0.62639754,0.552884255,0.627675235,0.580892381
11570,C47 H79 O13 P,"PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+14.159973",880.5179,14.159973,1.186747841,1.067721291,1.179559515,1.145089674,1.177301113,1.057179116,1.209295767,0.620440174,0.592081585,0.654271472,0.611246335,0.625250335,0.585285908,0.643105424
11571,C39 H67 O10 P,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/13:0) Esi+13.523983",726.4552,13.523983,0.002580876,0.105907878,0.222801127,0.031668001,0.05172152,0.108443837,0.012475385,0.100626635,0.176104284,0.010583123,0.092843269,0.110096526,0.150899681,0.06821375
11572,C33 H30 N24 O10,C33 H30 N24 O10,922.2568,6.350998,1.838198048,1.742897811,1.724051174,1.756076339,1.783506302,1.48115368,1.927993232,-1.119898535,-1.127506241,-1.110822674,-1.038261288,-1.224361358,-0.98948272,-1.203982415
11573,C17 H19 N O4,noroxycodone Esi+7.7760005,301.1314,7.7760005,0.051746366,0.160458327,0.212686436,0.090799133,0.021549814,0.131120651,0.061466758,0.171323363,-0.018576894,0.397871038,0.259625631,0.021740207,0.07465211,0.233650882
11574,C31 H53 N21 P,C31 H53 N21 P,750.4535,14.075984,0.110763164,0.162013805,0.046989934,0.170165102,0.001444084,0.055773231,0.067308603,-0.060216494,-0.142782697,0.038283538,-0.10068113,-0.037893132,-0.097475726,-0.036194094
11575,C25 H29 N O8,Hydroxydoxepin M1-glucuronide,470.1769,8.284026,0.036379363,0.103582614,0.206688086,0.089408065,0.224162076,0.343435718,0.294111758,0.041099952,-0.003041053,0.093759398,-0.014175428,0.124987552,-0.106521167,0.136276727
11576,C28 H59 N O6 P,PC(P-20:0/0:0) Esi+15.1550255,513.4381,15.1550255,1.544404282,1.698169786,1.216834848,1.424131266,1.499024072,1.577685137,1.458437051,-0.953783499,-1.113976779,-0.762675725,-0.924163108,-0.963920356,-0.949815087,-0.95634208
11577,C25 H41 N O2,"3,5-Didecanoylpyridine Esi+14.274969",386.3032,14.274969,2.165546989,2.264931869,2.098377818,2.221178116,2.275877402,2.453106778,2.158364392,-1.466204902,-1.627672026,-1.273577456,-1.502624637,-1.417754416,-1.55670219,-1.407857967
11578,C23 H38 O7,Prostaglandin D2-1-glyceryl ester Esi+9.297986,426.2597,9.297986,0.255262293,0.141301427,0.45091265,0.26217178,0.120492375,0.418888685,0.156771808,-0.115007901,-0.049726564,-0.192887391,-0.176045935,-0.029337609,-0.24109593,-0.033714304
11579,C48 H77 N19 O2 P,C48 H77 N19 O2 P,980.6189,14.724027,1.267002793,1.342530985,1.101027984,1.274928496,1.225430194,1.196062718,1.314259512,-0.773199949,-0.890888382,-0.632799714,-0.733518692,-0.81472957,-0.712447295,-0.812369423
11580,C26 H31 N O5,Lagerstroemine,454.2469,13.002991,0.802272639,0.856684437,0.565090033,0.594420785,0.864779888,0.875505534,0.665799515,-0.254390123,-0.2872966,-0.215133273,-0.222980356,-0.282073975,-0.312064319,-0.217205444
11581,C22 H39 N,C22 H39 N Esi+13.077966,317.3078,13.077966,1.654241048,1.681839402,1.511377473,1.466116052,1.755944999,1.630921661,1.650652292,-0.778511516,-0.886935641,-0.649163439,-0.768333138,-0.787230247,-0.81644725,-0.754052952
11582,C40 H64 O13,Polypodoside C Esi+13.73199,752.4319,13.73199,0.271322654,0.072763724,0.397962881,0.239015934,0.171451261,0.31087303,0.219075974,0.217311301,0.087452687,0.372230349,0.245656431,0.168643189,0.28266867,0.175172997
11583,C22 H39 N O,"2,4,12-Octadecatrienoic acid isobutylamide Esi+13.339035",350.3294,13.339035,0.908395816,1.120518824,0.567603952,0.985239288,0.689096414,1.3146839,0.609355486,-0.482405716,-0.575372131,-0.371498414,-0.51803655,-0.407134111,-0.69992874,-0.342160608
11584,C29 H46 O4,"2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone Esi+15.12303",458.3409,15.12303,0.200693689,0.142830503,0.176372061,0.107345812,0.246685231,0.17513374,0.176137386,-0.168070763,-0.083724461,-0.268694423,-0.124179698,-0.23978729,-0.13217586,-0.19121353
11585,C28 H45 N18 O P,C28 H45 N18 O P,678.3511,12.836984,0.351317046,0.447312355,0.103064947,0.206562102,0.386383381,0.047482662,0.44355398,-0.246029004,-0.445803582,-0.007701438,-0.090618606,-0.43751197,-0.109426732,-0.334101522
11586,C37 O14 P,C37 O14 P,698.903,12.79397,0.808773904,0.55471573,1.167137439,0.920488471,0.794134606,0.633708579,0.9520414,0.524319259,0.386675073,0.688526359,0.569463648,0.469226538,0.423688031,0.58919992
11587,C33 H57 N O13,Fumonisin C4 Esi+13.832017,692.412,13.832017,0.251048583,0.540213846,0.07433428,0.419015492,0.186731363,0.261934411,0.251397925,-0.01937856,-0.214642869,0.213568336,-0.006326909,-0.061750624,0.012221345,-0.039752183
11588,C40 H76 Cl2 N3 O2 S2,C40 H76 Cl2 N3 O2 S2,764.4699,14.342026,0.355347101,0.354044683,0.248949362,0.30583477,0.306732037,0.353026554,0.302939949,0.420725319,0.457149677,0.377271699,0.463388855,0.349512536,0.494758112,0.37299365
11589,C39 H62 O14,Schidigerasaponin C2 Esi+12.081029,754.4115,12.081029,1.878709963,1.795074546,2.020378415,1.929224218,1.928409369,1.773101136,1.995091821,1.34073175,1.250818834,1.447996281,1.28728836,1.384584223,1.223690159,1.416192776
11590,C27 H43 N O2,Solasodine Esi+7.8110094,413.3297,7.8110094,0.020518001,0.099416772,0.135503702,0.055698415,0.055505211,0.223041611,0.150778559,-0.053939195,-0.089166697,-0.011913404,-0.066504502,-0.063551737,0.174507498,-0.201227195
11591,C22 H41 N14 O P,C22 H41 N14 O P,548.334,14.961001,0.677100144,0.567806474,0.720482493,0.763651995,0.444967141,0.70549841,0.577397625,1.066202774,0.966312826,1.185369729,1.216798891,0.819546129,1.186405902,0.988703388
11592,C36 H68 O17,1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol Esi+13.85002,794.4239,13.85002,0.531587443,0.428752488,0.70240135,0.552628082,0.557078313,0.644576032,0.471954805,0.420598859,0.321529318,0.538787084,0.43328414,0.444046392,0.433879784,0.412036158
11593,C36 H48 N2 O8,Ansatrienin A Esi+15.513969,636.3424,15.513969,1.355517365,1.332581942,1.209867426,1.219342517,1.387554034,1.113966298,1.400230824,0.370304995,0.40175888,0.332781062,0.325657443,0.433655065,0.304641107,0.412640922
11594,C30 H61 N17 O2 P,C30 H61 N17 O2 P,722.4955,13.525956,0.392256487,0.454140567,0.132372793,0.26411148,0.549917117,0.572548056,0.232135839,-0.348656709,-0.528350788,-0.134284826,-0.081684658,-0.67675767,-0.509185185,-0.245158086
11595,C34 H62 O5,DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi+16.69603,567.4849,16.69603,0.513209978,0.396377895,0.571047653,0.827196977,0.073606844,0.739211354,0.337937949,0.293496867,0.267650726,0.32433086,0.520769314,0.025281032,0.496332232,0.162721435
11596,C27 H46 O2,5?-Cholestan-3?-ol-7-one Esi+14.718995,402.3485,14.718995,1.485679248,1.6274857,1.183632832,1.464745863,1.401818667,1.4164215,1.421216633,-0.82876656,-0.973101332,-0.65657771,-0.841675581,-0.830697524,-0.820905622,-0.833834796
11597,C25 H38 O9,11-beta-hydroxyandrosterone-3-glucuronide Esi+10.480978,482.249,10.480978,1.298280335,1.329773395,1.386176485,1.375029098,1.323768936,1.541986743,1.250552646,1.892779696,1.867122379,1.923388424,1.929803208,1.819491888,1.997283487,1.825402251
11598,C44 H47 N14 O4 P,C44 H47 N14 O4 P,866.3663,11.022971,0.429861889,0.23781687,0.738674951,0.484521206,0.437638202,0.258188777,0.602474242,0.121878134,0.08145457,0.170102736,0.118337796,0.119390888,0.075054344,0.152067156
11599,C30 H56 S2,C30 H56 S2,480.3803,14.720965,1.230682396,1.423366189,0.806355597,1.232037355,1.006976045,1.086058749,1.192820375,-0.848764843,-1.031735891,-0.630483593,-0.893582142,-0.785969887,-0.741622749,-0.917843298
11600,C34 H52 O10,Physagulin D Esi+14.566961,620.3579,14.566961,0.022280032,0.148196076,0.145784265,0.037368867,0.012762204,0.169659245,0.093953861,0.054180973,-0.003118918,0.122538738,0.088685237,-0.007672554,0.180303336,-0.027134761
11601,C22 H26 O7,Clusin Esi+9.732994,424.1519,9.732994,1.120635389,1.091578824,1.167613033,0.966993429,1.333904632,1.255395579,1.068991781,1.055861665,0.999882512,1.122643814,0.950110402,1.211425345,1.110987563,1.020319969
11602,C30 H50 O9,Notoginsenoside R10 Esi+13.028,576.3286,13.028,2.32007533,2.142984787,2.428020758,2.288300848,2.342705922,2.195278148,2.364062205,2.821108283,2.667356885,3.004531004,2.74786237,2.91430691,2.753952907,2.864405828
11603,C34 H53 N26 O6 P,C34 H53 N26 O6 P,952.4391,14.114012,0.261682958,0.300134764,0.21988479,0.425692578,0.127694079,0.53212421,0.125586943,0.111681643,0.134409756,0.084567403,0.175670433,0.007273383,0.209918317,0.04834484
11604,C11 H13 N O2,"(E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol",191.0948,0.8659982,0.071500099,0.064229622,0.289721994,0.09554446,0.207402106,0.025270539,0.131175005,-0.146579364,-0.197890466,-0.085366118,-0.25781025,0.002883634,-0.160893425,-0.137350561
11605,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.351021 :1,525.512,14.351021,2.25054633,2.413667964,2.129982581,2.409481143,2.24738294,2.502573119,2.229325031,-2.77772182,-3.114547076,-2.375895198,-2.872565922,-2.630844431,-2.831733937,-2.742898218
11606,C20 H32 O5,?-12-PGD2 Esi+8.487031,352.2211,8.487031,0.422454268,0.533696564,0.251384384,0.522384191,0.181153382,0.43414697,0.331354603,-0.287750295,-0.378406034,-0.17959959,-0.418824081,-0.128045046,-0.348221983,-0.24876197
11607,C47 H91 Cl N O7 P,C47 H91 Cl N O7 P,845.5499,14.760009,1.195116193,1.245181212,0.984179563,1.075744985,1.319066193,1.036245608,1.25166517,-0.65216226,-0.752962106,-0.531909812,-0.529723226,-0.825928285,-0.57037388,-0.704894241
11608,C8 H20 N9 O S,C8 H20 N9 O S,288.1345,0.875,0.654725592,0.621899761,0.395255649,0.757134551,0.492074123,0.835307136,0.408892734,-0.271768616,-0.421729505,-0.092867907,-0.344119254,-0.166490053,-0.455323205,-0.15342421
11609,C21 H50 N14 O4 P S,C21 H50 N14 O4 P S,625.3598,10.951,1.193223511,1.003508139,1.487300183,1.264760609,1.204302974,1.146106986,1.283001588,0.481414689,0.418878799,0.556018909,0.508494515,0.442196099,0.46268475,0.493490571
11610,C41 H63 N28 P,C41 H63 N28 P,978.5512,14.170968,1.15801734,1.070029035,1.399374033,1.174696928,1.212943019,1.309464214,1.108497548,0.756595736,0.704618086,0.818604161,0.760089179,0.737121986,0.804855602,0.725480823
11611,<none>,<none> Esi+12.918965 :1,566.823,12.918965,1.035910123,0.772882113,1.416651031,1.096345686,1.031082753,0.773055737,1.186810693,0.504855986,0.392997189,0.638301568,0.526310696,0.491899601,0.391584184,0.57788649
11612,C27 H36 F2 O6,Flumethasone pivalate Esi+10.584981,494.2487,10.584981,2.096797611,1.956645435,2.344969056,2.076694816,2.229433111,2.006163717,2.224344904,2.545953037,2.283593211,2.858943707,2.42875389,2.682643266,2.464100625,2.598726303
11613,C41 H56 O7,Neurosporaxanthin ?-D-glucopyranoside Esi+14.037036 :1,659.3896,14.037036,0.180374587,0.149099438,0.578992545,0.068746158,0.471728866,0.130304197,0.429841149,0.175715575,-0.100879776,0.505688976,0.016169694,0.424021915,-0.126584197,0.370619375
11614,C44 H72 O11,Oligomycin D Esi+13.539001,775.5102,13.539001,1.144602538,0.919204426,1.511137469,1.195580229,1.142841935,1.038843203,1.314434621,1.085579203,0.884851799,1.325043473,1.138872081,0.988300458,0.965976873,1.162691231
11615,C48 H79 O13 P,"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)) Esi+14.238023 :1",894.5316,14.238023,0.122125045,0.069550037,0.353809217,0.057143,0.140993211,0.103646334,0.086135194,0.12342001,0.019287726,0.247647998,0.131396763,0.088745541,0.138522659,0.113682775
11616,C46 H76 N6 O14,C46 H76 N6 O14 Esi+14.198979,936.5413,14.198979,0.215720703,0.001961877,0.354286788,0.151304354,0.166702055,0.183157624,0.204184973,0.295554848,0.070514406,0.564024146,0.2441806,0.333549445,0.245270032,0.327975321
11617,C47 H79 N8 O11,C47 H79 N8 O11,931.5857,14.191966,1.24662793,1.299597841,0.97244927,1.175383376,1.171923589,1.036044814,1.277761826,-1.218545178,-1.402749041,-0.998793202,-1.07819132,-1.422509514,-1.052634747,-1.325513746
11618,C10 H20 N6 O4,Asparaginyl-Arginine Esi+7.68799,305.1833,7.68799,0.813192717,0.811783438,0.713929116,0.900852809,0.547750456,0.869469048,0.684328045,-0.804492902,-0.800496247,-0.809260841,-0.947119843,-0.595491334,-0.87491275,-0.759090631
11619,C27 H60 N2 P,C27 H60 N2 P,443.4482,13.843995,0.872914401,1.005145573,0.657678847,0.853145693,0.685376227,1.188053811,0.677424845,-0.544727548,-0.674870844,-0.389468877,-0.665430373,-0.382120708,-0.745775531,-0.415104505
11620,C27 H45 O9 P,2-deoxy-20-hydroxyecdysone 22-phosphate,544.2815,13.230975,1.089989863,0.817887779,1.387137026,1.129759408,1.084436153,0.967868855,1.138285096,0.378952848,0.297221781,0.476456576,0.37450317,0.38887104,0.324249178,0.414222319
11621,C19 H34 N13 O,C19 H34 N13 O,460.2907,10.64402,0.132841633,0.100059777,0.171738113,0.193966888,0.135778381,0.170233297,0.191431773,0.227533971,0.273098201,0.173176643,0.331845919,0.064330721,0.342792013,0.153222864
11622,C40 H8 N5 O14 P,C40 H8 N5 O14 P,812.9804,12.082006,2.015785767,1.985401972,1.747745939,2.06369018,1.640202468,1.987609644,1.838182716,-1.052041601,-1.124402663,-0.965716124,-1.120976284,-0.950926767,-1.098337039,-1.022193227
11623,C21 H31 N26 O2 P,C21 H31 N26 O2 P,710.2856,12.78597,0.975119268,0.928999158,0.807523042,0.790013365,1.028558232,0.748601677,0.988177524,-0.322996031,-0.366966206,-0.270540383,-0.271084132,-0.400636431,-0.31088785,-0.330802621
11624,C19 H21 N S,Dothiepin Esi+3.8930044,295.1413,3.8930044,0.418417489,0.304438584,0.409947891,0.464171225,0.337463363,0.502865239,0.277116454,0.278948653,0.288724616,0.267286099,0.311778222,0.23873183,0.310672914,0.258494853
11625,C43 H72 O5,"DG(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z)/0:0)[iso2] Esi+14.693048",685.5662,14.693048,2.585334249,2.738087629,2.462449568,2.724873076,2.653238543,2.788134256,2.568664299,-2.531499379,-2.706025598,-2.323292661,-2.553119916,-2.492296269,-2.56629559,-2.509064979
11626,C38 H62 O15,Glucoconvallasaponin B,780.3868,13.114012,1.138523563,0.857890597,1.446473085,1.062210028,1.178148872,0.899510112,1.238200213,0.3845284,0.301959304,0.483031883,0.376513942,0.402918518,0.318893234,0.42684581
11627,C23 H34 N7 O3,C23 H34 N7 O3 Esi+11.12199,456.2752,11.12199,0.133281047,0.229528091,0.057181349,0.329181649,0.001635465,0.070336311,0.040342375,-0.211228601,-0.348055683,-0.047996293,-0.24365491,-0.236848689,-0.022762009,-0.332739956
11628,C35 H38 N2 O5,Dmp 323 Esi+10.964018,583.3114,10.964018,1.842969918,1.690275518,1.998964457,1.861605693,1.936797288,1.796119583,1.940882321,0.907911129,0.847312074,0.980204738,0.924671224,0.879442249,0.92197738,0.898842098
11629,C25 H44 N14 O8,Capreomycin Esi+14.364991,667.3397,14.364991,0.637544412,1.010450163,0.162569342,0.771480101,0.224119501,1.114822531,0.309323564,-0.235428136,-0.366989765,-0.07847742,-0.341417467,-0.070121697,-0.407474771,-0.124503331
11630,C25 H49 O9 P,PG(19:1(9Z)/0:0) Esi+16.52704,524.3125,16.52704,0.221804416,0.052260253,0.513507083,0.02211353,0.532985125,0.190856447,0.56375699,0.029580517,0.011304152,0.051383899,0.01098865,0.055562376,-0.017992474,0.060252577
11631,C41 H8 N5 O14 P,C41 H8 N5 O14 P,824.981,12.092013,1.908605451,1.926106041,1.540159232,1.899791177,1.583493265,1.766443848,1.765572834,-0.950753079,-1.016679293,-0.872104262,-0.97903347,-0.906806752,-0.951497113,-0.950273373
11632,C28 H50 N16 O2 P,C28 H50 N16 O2 P,673.4048,14.166993,1.27874499,1.507752747,0.841790818,1.432553957,0.994895378,1.436635068,1.068195781,-1.144363934,-1.505875754,-0.713086675,-1.253657359,-0.949791436,-1.317994151,-1.032418136
11633,C44 H54 N4 O16,Precorrin 6X Esi+7.2290034,894.3547,7.2290034,0.35313503,0.304016143,0.378415212,0.148676239,0.54975361,0.251146286,0.39963105,-0.132349677,-0.093482578,-0.178717445,-0.078967475,-0.227429507,-0.107438407,-0.148410891
11634,C51 H85 O13 P,"PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi+16.815975",936.5726,16.815975,0.405529377,0.311192662,0.490066815,0.449700562,0.323980945,0.343122058,0.36833396,-0.13268812,-0.10239274,-0.168829976,-0.154325965,-0.125428295,-0.156243101,-0.117501355
11635,C27 H46 N O7 P,"LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi+9.161993",549.2837,9.161993,0.898474964,0.874840062,0.823737208,0.978975604,0.533390421,0.729741607,0.89736191,-0.784142581,-0.90491866,-0.640058838,-1.065629333,-0.416802346,-0.927349121,-0.691812049
11636,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+16.210987",404.3645,16.210987,1.353456054,1.440464314,1.081023785,1.297230092,1.274606533,1.228345629,1.348220673,-1.016378694,-1.159967325,-0.845079977,-0.992781623,-1.051771073,-0.947717562,-1.060647056
11637,C41 H58 O2,Okenone Esi+15.101022,582.4432,15.101022,1.191621016,1.304348729,0.957960473,1.259764837,1.087724016,1.169784349,1.153125946,-0.610552302,-0.688792452,-0.517213175,-0.600742573,-0.660146989,-0.598847112,-0.618099069
11638,C22 H45 N O,Docosanamide Esi+12.572999 :1,339.3498,12.572999,0.515959574,0.379591699,0.702393644,0.495295627,0.545024041,0.414028351,0.548102578,0.218458788,0.171836388,0.274078494,0.225032568,0.211633369,0.210692627,0.223465918
11639,C23 H34 N13 O,C23 H34 N13 O Esi+12.887964,508.3024,12.887964,1.974983874,1.737550071,2.099116322,1.705241358,2.203281869,1.663664417,2.132126383,2.496583518,2.262023377,2.77640965,2.28791172,2.754644028,2.231511789,2.667485027
11640,C29 H39 N5 O8,Tigecycline Esi+14.554986,602.3045,14.554986,1.899582489,1.758408942,2.080418823,1.994562092,1.827458984,1.988467998,1.861925758,1.473137394,1.447392552,1.50385054,1.527490021,1.392827978,1.542819983,1.428210462
11641,C24 H50 N O8 P,PS(O-18:0/0:0) Esi+9.011985,511.3274,9.011985,0.430877465,0.436590889,0.383138485,0.467866323,0.281825641,0.086117395,0.570809627,-0.16222114,-0.169405527,-0.153650292,-0.180193699,-0.14335891,0.006987932,-0.271316462
11642,C35 H29 N21 O14,C35 H29 N21 O14,967.2205,15.904034,1.669121283,1.625954362,1.431249791,1.595553489,1.489991644,1.611451292,1.513153223,-0.629504677,-0.685335584,-0.562899384,-0.642922557,-0.609329474,-0.656608861,-0.61202961
11643,C47 H88 O16 P2,"PIP(22:2(13Z,16Z)/16:0)",970.5592,15.873032,0.073847562,0.204397222,0.215161179,0.090148001,0.179284705,0.066521607,0.048151234,-0.009169276,-0.024909311,0.009608309,0.033008694,-0.068287858,-0.001752174,-0.013951355
11644,C23 H45 N O3,N-stearoyl valine Esi+15.020016,383.3408,15.020016,0.088752422,0.160970458,0.094278147,0.134898931,0.011543212,0.126479475,0.117052717,-0.062967675,-0.069650687,-0.054994958,-0.092210147,-0.021432635,-0.065884186,-0.061087292
11645,C25 H24 N8 O7 S2,Cefpiramide,612.1265,14.574969,0.575068861,0.642439395,0.367168508,0.544092013,0.437951978,0.672290398,0.379869924,-0.31383101,-0.363530477,-0.254540418,-0.308949859,-0.321954345,-0.431464881,-0.23798812
11646,C47 H77 O13 P,"PI(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+14.312011",880.5186,14.312011,0.180674263,0.248226758,0.011130412,0.255250371,0.13830543,0.190394457,0.125951176,-0.050493812,-0.065197253,-0.032952864,-0.04133761,-0.078716318,0.030743082,-0.10287023
11647,C47 H91 O12 P,PI(P-20:0/18:0),877.6117,14.614991,0.186591594,0.009802203,0.561791116,0.153320803,0.355646295,0.198329101,0.254347831,0.239381655,0.018846518,0.502476205,0.164448949,0.329718327,0.129336607,0.310331752
11648,C38 H37 N29 O2 P,C38 H37 N29 O2 P,962.3418,7.1190114,0.161916146,0.1709504,0.158276624,0.134661371,0.272464682,0.078634376,0.233935301,-0.082205599,-0.060449576,-0.108160153,-0.020117956,-0.198769435,-0.001621541,-0.134161111
11649,C38 H63 N30 O P,C38 H63 N30 O P,986.564,15.2150135,1.272425972,1.263127248,1.043246117,0.975594144,1.392556266,1.207296953,1.209784835,-0.858331304,-0.868157381,-0.846608966,-0.730923338,-1.022862546,-0.868202591,-0.851966921
11650,C29 H46 N4 O8,1-NBD-decanoyl-2-decanoyl-sn-Glycerol Esi+8.244996,600.3111,8.244996,0.562661997,0.513371306,0.605712192,0.707097903,0.401162481,0.745451765,0.381090015,0.214685657,0.217592743,0.211217554,0.24060494,0.177175407,0.285962262,0.168731004
11651,C49 H95 N2 O,C49 H95 N2 O Esi+6.298999,727.7427,6.298999,2.044153447,1.964096675,2.002656729,1.970183662,2.095549352,1.922044691,2.070365782,1.782373853,1.904629842,1.636524603,1.675739201,1.914938973,1.802530152,1.769378345
11652,C23 H36 N8 O4,Trp Lys Arg Esi+14.40997,488.289,14.40997,0.444110538,0.481782051,0.121939133,0.248769125,0.605956168,0.201598967,0.434970508,-0.243431796,-0.322909573,-0.148616202,-0.058905577,-0.525088996,-0.110074619,-0.329412081
11653,C45 H80 O5,"DG(24:1(15Z)/18:3(9Z,12Z,15Z)/0:0)",722.5805,11.695001,0.358615116,0.023423055,0.862532422,0.089482346,1.074166885,0.166274114,0.759210475,0.141069044,0.010989554,0.296251594,0.009507915,0.325300896,-0.018028696,0.243645219
11654,C39 H64 O13,Capsicoside B2,762.4165,13.857971,1.344846149,1.751493712,1.183824441,1.266778846,1.493055655,1.581895167,1.397534206,1.189020063,1.370741325,0.972229785,1.267001888,1.043705409,1.276710894,1.132482554
11655,C31 H58 N16 P,C31 H58 N16 P,685.4828,16.128965,0.650449912,0.662017168,0.435500283,0.553439771,0.545991367,0.469731343,0.593596432,-0.321522795,-0.40978769,-0.216224323,-0.271891706,-0.383410669,-0.257079065,-0.363072041
11656,C19 H30 O2,4-Methylphenyl dodecanoate Esi+13.693042,290.2245,13.693042,0.379928771,0.515348162,0.03163318,0.316787294,0.29393553,0.463858813,0.211859774,-0.255781164,-0.404870842,-0.077919793,-0.220479662,-0.276523957,-0.343645509,-0.199131783
11657,C39 H24 N5 O4 P,C39 H24 N5 O4 P,657.1565,9.969978,0.668383,0.612933809,0.714299011,0.820806962,0.534458162,0.847422057,0.536887405,0.47721464,0.472995882,0.482247544,0.523985177,0.407300673,0.568937601,0.418077467
11658,C27 H48 N3 P,C27 H48 N3 P,443.361,12.4209795,0.713137899,0.646007229,0.579379784,0.485330137,0.842516104,0.459912906,0.732652026,-0.51560122,-0.599545218,-0.415457503,-0.411943831,-0.668714981,-0.562178315,-0.485571251
11659,C47 H72 O20,Achyranthoside C,978.448,8.550016,0.956147961,1.006500785,0.712068413,0.752281034,1.034345159,0.963952753,0.862061674,-0.451937726,-0.490077917,-0.406437146,-0.443936032,-0.469241329,-0.509608904,-0.414754992
11660,C10 H20 N6 O4,Asparaginyl-Arginine Esi+7.677986,305.1829,7.677986,0.580061088,0.747136436,0.255781353,0.61050037,0.436420671,0.578931131,0.480835199,-0.431028913,-0.566560552,-0.269342046,-0.486422835,-0.381794018,-0.474195471,-0.403197844
11661,C43 H84 N O8 P,PE(20:0/18:1(9Z)) Esi+15.62402,772.5808,15.62402,0.352424624,0.470963728,0.055162354,0.348379542,0.231727248,0.460834577,0.214188554,-0.108319826,-0.151728659,-0.05653385,-0.128553251,-0.05929067,-0.167181434,-0.070369579
11662,C29 H59 N O3,C29 H59 N O3 Esi+13.74701,469.4487,13.74701,1.225676404,1.405538362,0.848930752,1.358772559,1.009556109,1.374712112,1.132034166,-0.703641568,-0.886145717,-0.485917321,-0.796396382,-0.564898092,-0.82042315,-0.62834818
11663,C15 H22 N5 O2,C15 H22 N5 O2,304.1632,8.474,1.5600094,1.495612702,1.408183041,1.517517174,1.445125714,1.422717631,1.53884513,-2.326034249,-2.444182004,-2.18508605,-2.332679115,-2.301745676,-2.407143785,-2.273739943
11664,C25 H30 P,C25 H30 P,361.2106,10.427984,0.756111294,0.823499202,0.754803057,0.806975596,0.674684168,1.064827864,0.623577032,-0.582493708,-0.745193926,-0.388395203,-0.658352632,-0.428171597,-0.891147242,-0.383493403
11665,C47 H73 N17 O4 P,C47 H73 N17 O4 P,970.5781,16.190975,0.821623698,0.974145873,0.509994424,0.702895314,0.905136353,0.867723859,0.773603181,-0.467286938,-0.558903516,-0.357989968,-0.470658769,-0.47155915,-0.493463074,-0.450410219
11666,C30 H64 N16 O P,C30 H64 N16 O P,695.5175,15.315971,1.000882804,1.158108468,0.615369191,1.068027521,0.875173729,0.878500412,0.964264668,-0.453530207,-0.621858428,-0.252717592,-0.404756544,-0.518512976,-0.374943714,-0.504197814
11667,C21 H36 N7,C21 H36 N7,386.3032,14.513975,1.151808144,0.909851778,1.422781995,1.050225698,1.238040657,1.051503364,1.203541525,0.827970003,0.671301455,1.014872832,0.80027452,0.867894607,0.801329655,0.845146017
11668,C45 H82 O15 P2,"CL(1'-[18:2(9Z,12Z)/0:0],3'-[18:2(9Z,12Z)/0:0]) Esi+13.802982",924.507,13.802982,0.546345345,0.438522375,0.500001965,0.56703238,0.331886165,0.535579222,0.481418071,-0.305305395,-0.305469834,-0.305109223,-0.34358819,-0.259655036,-0.338597179,-0.283840956
11669,C16 H33 N O S,C16 H33 N O S,286.1778,8.488003,0.907718588,0.71069766,1.056425709,0.821086079,0.919468826,0.835265482,0.907735421,1.910742324,1.451153627,2.459023577,1.652050597,2.247625657,1.792425171,1.987025751
11670,C21 H41 N5 O7,Netilmicin Esi+5.1099887,475.2984,5.1099887,0.367181793,0.421036297,0.193016183,0.685115477,0.050471071,0.492192302,0.189604107,0.294399514,0.387865157,0.182896641,0.474351071,0.053651791,0.375416013,0.242165192
11671,C12 H22 N2 O2,"1,8-Diazacyclotetradecane-2,9-dione Esi+3.6220052",226.1674,3.6220052,0.41395591,0.205777769,0.627381723,0.233568214,0.629032003,0.304769524,0.451166245,0.702488872,0.535338563,0.901896258,0.42154861,1.070340329,0.52028865,0.819960068
11672,C18 H34 O6,Sorbitan laurate Esi+8.984988,346.2318,8.984988,0.699546148,0.777122897,0.535441353,0.623230485,0.723668843,0.951456288,0.518218659,0.738529281,0.820173667,0.641128961,0.735555531,0.716628212,0.860500381,0.659890019
11673,C32 H56 O5,C32 H56 O5 Esi+14.961005,520.4127,14.961005,1.973857891,2.182243151,1.756308172,2.036390078,2.03460831,2.046608865,1.997630699,-3.021201304,-3.392061114,-2.578772057,-3.050517858,-3.033889749,-3.014386808,-3.025594861
11674,C25 H52 N2 O,C25 H52 N2 O Esi+13.57398,396.4076,13.57398,1.341467117,1.38512381,1.204012996,1.330751937,1.331463103,1.229993294,1.425674304,-2.798937531,-2.970521664,-2.594240671,-2.776829575,-2.903977412,-2.608677492,-2.921605188
11675,C25 H38 N7 O4,C25 H38 N7 O4 Esi+11.870025,500.2988,11.870025,0.148912053,0.477777944,0.180261125,0.406476373,0.091096474,0.400753028,0.085179402,-0.090100654,-0.376120978,0.251116574,-0.169875242,0.092356505,-0.284246663,0.035072431
11676,C28 H61 N7 O4 P,C28 H61 N7 O4 P Esi+16.24297,590.4515,16.24297,1.591009581,1.696984145,1.428949274,1.570633832,1.576346277,1.636257111,1.514314704,-1.166911032,-1.339822922,-0.960630181,-1.157163528,-1.186111933,-1.202507127,-1.143960918
11677,C6 H6 O3,(Z)-Tamarindienal Esi+1.368999,126.0298,1.368999,1.000465084,1.268624973,0.657348216,1.030322446,0.936057871,1.235098475,0.848048626,1.278921928,1.495164525,1.020948304,1.373522317,1.117730952,1.451360552,1.167744394
11678,C31 H67 N2 O2 P,C31 H67 N2 O2 P,530.4945,5.874013,0.105954467,0.070230078,0.575147558,0.096285695,0.527758137,0.319826396,0.443167494,-0.213824668,-0.039747098,-0.421496155,-0.072603843,-0.422883704,0.077022999,-0.401344874
11679,C20 H21 N3 O3,Tryptophyl-Phenylalanine,351.1587,5.784013,0.047400846,0.086195146,0.054444512,0.043741447,0.075996005,0.266343258,0.158287928,0.024112996,-0.036796046,0.096776414,-0.025720678,0.120420479,-0.137687783,0.12843192
11680,C32 H56 O5,C32 H56 O5 Esi+14.961005 :1,520.4126,14.961005,1.944289564,2.121085599,1.675458135,2.000302507,1.91165754,1.983731474,1.923727776,-2.267926436,-2.577396376,-1.898734226,-2.316842613,-2.237766527,-2.258660608,-2.273900456
11681,C18 H28 N2 O3,Iprovalicarb,320.2147,6.426015,0.461153232,0.621222284,0.359320018,0.412890802,0.511068146,0.611898135,0.404950579,0.666668477,0.699126691,0.627946397,0.637717249,0.691990016,0.798501557,0.581670833
11682,C30 H27 N O7,Acrimarine H Esi+16.543962,535.1577,16.543962,1.989711255,2.094470053,1.760675262,1.981202549,2.012640589,1.987569121,1.962778853,-1.973251376,-2.039968466,-1.893659059,-1.904575323,-2.093596972,-1.888972319,-2.02758919
11683,C30 H46 O5,Lucyin A Esi+14.437989,486.3346,14.437989,0.857227193,0.851805973,0.77332073,0.765980465,0.825572547,0.569755044,0.885515086,-0.592531374,-0.622208461,-0.557127129,-0.514984649,-0.716640486,-0.380456264,-0.72926401
11684,C21 H N2 O23 P S2,C21 H N2 O23 P S2,743.8163,5.26501,2.187188031,2.205261988,2.275497906,2.290251582,2.293310892,2.274229293,2.277094252,2.959156845,3.006764917,2.902361251,2.88086532,3.052872864,3.219903362,2.791043959
11685,C25 H28 O4,(S)-8-Prenylphaseollinisoflavan,392.2008,15.100018,0.704359285,0.89603669,0.400264633,0.776590478,0.494052116,0.809880026,0.608683765,-0.852683104,-1.045281136,-0.622917031,-0.93310315,-0.718527995,-0.941734738,-0.795268235
11686,<none>,<none> Esi+5.112,509.7513,5.112,2.294503169,2.290586646,2.205650509,2.346020394,2.29008727,2.199802349,2.327670989,2.855851831,2.951322161,2.741957403,2.795431451,2.941099012,2.801376894,2.89097383
11687,C15 H28 O5,6-Hydroxypentadecanedioic acid Esi+10.750987,310.1742,10.750987,2.342328134,2.237670608,2.567283984,2.416945562,2.465609052,2.292064632,2.48696135,2.437595637,2.342311687,2.551267718,2.432878203,2.426728324,2.49613481,2.399853275
11688,C18 H34 O5,"9S,10S,11R-trihydroxy-12Z-octadecenoic acid Esi+10.175024",330.2395,10.175024,0.44909778,0.498803395,0.361172423,0.295961304,0.563267801,0.141417801,0.597466598,-0.266443164,-0.273216458,-0.258362742,-0.151221718,-0.451932868,-0.08607085,-0.382735839
11689,C20 H50 N21 O2,C20 H50 N21 O2,616.4588,11.698982,1.839920577,2.000519173,1.830762723,1.922069297,2.078809056,2.016084501,1.94043852,-5.843441348,-5.954643344,-5.710779317,-5.604014762,-6.086071034,-5.590355356,-6.006615211
11690,C43 H64 O5,"DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",660.4773,11.581031,0.836177362,1.042860554,0.609920941,0.698152962,1.048058744,0.909781776,0.863691759,-0.940436314,-1.157014121,-0.682062789,-0.699345231,-1.319013339,-0.902191516,-0.965094144
11691,C11 H24 N8 O2,C11 H24 N8 O2,300.2018,9.510988,0.222814651,0.194375622,0.146342612,0.107013775,0.240327659,0.100983966,0.235008373,-0.169048474,-0.137973516,-0.206120353,-0.04805957,-0.322023557,-0.035666885,-0.255044498
11692,C17 H21 N O3,Feruperine,287.1519,10.282981,0.016172413,0.018506276,0.053305061,0.280637002,0.23939345,0.067458197,0.029172865,0.04105464,0.096432344,-0.025009988,-0.073482152,0.175973754,0.17259412,-0.043753708
11693,C28 H50 O10,3-O-Mycarosylerythronolide B Esi+11.932991 :1,563.3691,11.932991,2.326551074,2.226814447,2.589371141,2.363535992,2.496712727,2.198149176,2.490730704,3.850745996,3.464600073,4.311411307,3.713099872,4.013341104,3.630412922,3.992802846
11694,C11 H9 I3 N2 O4,Iothalamic acid,613.7746,5.1220055,2.326219843,2.378222146,2.314116937,2.439364237,2.40632538,2.36307238,2.381254566,2.74887549,2.808806975,2.677378279,2.643497045,2.887275844,2.788519687,2.723315415
11695,C15 H34 N21 O4 P,C15 H34 N21 O4 P,603.2848,5.12299,2.403229375,2.402397004,2.263768668,2.432544095,2.380770102,2.294176809,2.417473539,3.604828933,3.687865327,3.505767973,3.489850479,3.754818358,3.582294535,3.61935769
11696,C22 H43 N O,13E-Docosenamide Esi+16.230976,337.3336,16.230976,1.539997373,1.475020221,1.221070274,1.280333871,1.522137378,1.288495745,1.439341996,-0.891595166,-0.940938624,-0.832729287,-0.822005455,-0.985903475,-0.826792364,-0.93337592
11697,C20 H30 N6 O7,Arg Glu Tyr,466.2181,9.697999,1.913167456,1.693790757,2.063562714,1.672083333,2.086362493,1.760704267,1.956553807,3.84670468,3.549191725,4.201632415,3.594734018,4.171209771,3.877880953,3.826604188
11698,C9 H12 O3,4-Ipomeanol Esi+6.2800193,168.0777,6.2800193,0.825255346,0.769671543,0.954733543,0.835978483,0.806072086,1.072317669,0.712898769,-0.435940416,-0.412114776,-0.464363986,-0.444327486,-0.417051664,-0.537466663,-0.370482704
11699,C29 H61 N4 P S2,C29 H61 N4 P S2 Esi+14.745017,558.3984,14.745017,1.360494551,1.544326672,1.116067352,1.395867328,1.334410972,1.406621257,1.317840151,-2.478010196,-2.872887663,-2.006928307,-2.532849806,-2.458715003,-2.708723108,-2.329261082
11700,C20 H32 N6 O7,C20 H32 N6 O7 Esi+9.178985,468.2332,9.178985,0.907845458,0.728424657,1.186708751,0.936902702,0.782457974,0.786871798,0.975502467,-1.175671585,-0.946420018,-1.449164682,-1.247781511,-1.027874656,-1.115618477,-1.214390036
11701,C27 H60 N9 O2 S2,C27 H60 N9 O2 S2,606.4473,14.644023,0.561496912,0.473350678,0.682550144,0.599690073,0.595626334,0.42954055,0.661071384,0.900881287,0.766126888,1.061640921,0.926393461,0.925140748,0.753102645,0.996159622
11702,<none>,<none> Esi+5.112996,520.7423,5.112996,2.161051022,2.224596114,2.195529547,2.292199695,2.273645751,2.170126563,2.255289455,2.088781831,2.160713406,2.002968723,2.021300409,2.186046336,2.101225466,2.08075896
11703,C42 H9 N3 O9 P,C42 H9 N3 O9 P,730.0081,6.652996,0.373460477,0.614046601,0.0950576,0.627437687,0.006877959,0.487596455,0.215099547,0.157687173,0.401532592,-0.133216134,0.239618484,0.03674218,0.2321516,0.109677214
11704,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.9620075,525.5114,14.9620075,1.937187201,1.899122697,1.427864507,1.76990177,1.666530612,1.714824991,1.729861669,-1.336351831,-1.414831111,-1.242727426,-1.328941863,-1.344333073,-1.348932716,-1.32824047
11705,C7 H14 N4 O3,Dinotefuran,224.0881,1.223003,0.464199684,0.73916646,0.095458921,0.375539012,0.578242778,0.413846407,0.426724388,0.560408992,0.919127798,0.132463749,0.482643252,0.686384281,0.59685626,0.536910095
11706,<none>,<none> Esi+14.385987,692.3753,14.385987,1.041691731,0.909314817,1.031232135,0.74757303,1.151254063,0.73499889,1.091289273,-0.632666401,-0.625236935,-0.641529624,-0.48875561,-0.838266687,-0.540490985,-0.692095288
11707,C19 H30 O8,Sonchuionoside C Esi+8.458007,386.1937,8.458007,0.065669797,0.005317152,0.227758524,0.093277102,0.255457497,0.188230917,0.235292563,-0.01700149,0.018758328,-0.059662325,0.138107075,-0.245349307,0.265793261,-0.199329685
11708,<none>,<none> Esi+4.5469975,452.7395,4.5469975,2.331460886,2.452306347,2.306132458,2.450832042,2.484560933,2.445122883,2.448684434,2.28396234,2.451591957,2.083983147,2.21983066,2.361533167,2.167437259,2.359090352
11709,C40 H62,"(15Z,9'Z)-7,7',8,8',11,12-Hexahydrolycopene",542.487,5.8819942,0.05123986,0.209787508,0.529868348,0.192222266,0.424622448,0.056295587,0.229180158,-0.067619625,0.102090891,-0.270081293,0.033259581,-0.210580715,0.04292555,-0.138892173
11710,C16 H32 N O4,"2,6 dimethylheptanoyl carnitine Esi+8.168982",301.2247,8.168982,0.53820807,0.505009069,0.525429544,0.441836727,0.774703738,0.403794157,0.56312399,0.398423882,0.460714429,0.324112352,0.303800127,0.562167566,0.339685103,0.436294937
11711,C32 H54 O12 S,Evasterioside B,662.3291,15.090978,2.430633937,2.68027416,2.158985692,2.511447602,2.489380851,2.610133792,2.407711184,-2.972653928,-3.243003993,-2.650131043,-2.954102296,-2.988121643,-2.969370951,-2.974770584
11712,<none>,<none> Esi+5.8699956,813.7302,5.8699956,0.634677717,0.844511077,0.063033659,0.896715149,0.167053142,0.865098384,0.365722194,0.318886104,0.550712049,0.042321818,0.43916047,0.162410321,0.459186189,0.22842947
11713,C29 H44 O10,Desglucocheirotoxol Esi+14.881989,574.2776,14.881989,2.279771937,2.492974763,1.945070871,2.297631059,2.271943933,2.41586673,2.195056949,-2.42852983,-2.644907163,-2.170395467,-2.420871596,-2.430771267,-2.475682799,-2.398128573
11714,C16 H41 N5 O11 P,C16 H41 N5 O11 P,510.2531,5.112,2.257392199,2.249137668,2.203866627,2.336457284,2.278220832,2.220940802,2.264332326,2.511930084,2.611622266,2.392999059,2.499480774,2.534776939,2.549758361,2.4875408
11715,C31 H54 O9,C31 H54 O9 Esi+14.135009,570.3749,14.135009,1.110245608,0.957582705,1.119540763,1.127747952,1.047610752,0.918648046,1.185579913,1.590697403,1.403767369,1.813701655,1.544938399,1.638534455,1.290538572,1.78422086
11716,C29 H45 N7 O6 S,Glycylalanylprolylmethionylphenylalanylvalinamide Esi+15.000983,618.3025,15.000983,2.511576313,2.751708813,2.282225564,2.614344464,2.585586603,2.718791121,2.496524223,-3.419379187,-3.718374943,-3.062682497,-3.406556588,-3.425664984,-3.421897618,-3.417755462
11717,C43 H81 N O8 P,"PC(17:0/18:3(6Z,9Z,12Z)) Esi+15.69199",787.6064,15.69199,1.425185069,1.756719541,1.054456715,1.513169235,1.401300439,1.649285048,1.326881748,-1.008167672,-1.182252272,-0.800487799,-0.977683589,-1.041402806,-1.058875625,-0.975474387
11718,C26 H49 N7 O3 P,C26 H49 N7 O3 P,538.3629,14.420001,1.60240176,1.766894478,1.447213966,1.499810171,1.862587841,1.400186829,1.778772221,-2.547746759,-2.653536947,-2.42154092,-2.328713221,-2.917518737,-2.247240129,-2.741494454
11719,C19 H22 N6 O4,N-Benzoyl-D-arginine-4-nitroanilide,398.1741,7.6030183,1.529581657,1.523545255,1.356551033,1.486748604,1.481269671,1.287470748,1.548534887,-2.322966605,-2.450265533,-2.171101217,-2.26666374,-2.40666361,-2.082337811,-2.478108854
11720,C15 H17 N3 O3 S,Ro 19-4603 Esi+6.652996,319.0945,6.652996,0.474314693,0.421409185,0.508357589,0.377297793,0.524755417,0.352292053,0.495005964,-0.38623686,-0.290245975,-0.500752301,-0.246683824,-0.621112059,-0.241109573,-0.479805769
11721,C40 H79 N O8 P,PC(20:1(11Z)/12:0),731.5373,13.865982,0.094969259,0.074018066,0.257944158,0.058294779,0.060681294,0.074958954,0.185004649,0.0769174,-0.044979026,0.222337698,0.109310012,0.023745719,-0.015688536,0.13662386
11722,C35 H71 N O3,Cer(d18:0/17:0) Esi+16.607016,553.5424,16.607016,2.318047583,2.269504159,1.891492847,2.207165263,2.068540516,2.10402339,2.151215398,-1.753959104,-1.844036013,-1.646498931,-1.739295782,-1.771577249,-1.743064219,-1.760983438
11723,C19 H27 N12,C19 H27 N12,422.2646,13.914005,0.463927427,0.519411071,0.367619113,0.433946848,0.45354917,0.240293206,0.525898684,-0.217961714,-0.279553985,-0.144483216,-0.190800257,-0.280133775,-0.132118542,-0.27330797
11724,C48 H103 N8 O,C48 H103 N8 O,807.8252,5.4010005,1.85618586,1.835845948,1.760179337,1.832579373,1.894119249,1.848598808,1.838856038,1.861954862,1.900812908,1.815597895,1.802541633,1.931231132,1.950966313,1.8045659
11725,C16 H27 N O10,6'-Apiosyllotaustralin,393.1661,5.3200064,1.505688765,1.488809516,1.210570807,1.42770664,1.395467367,1.35710488,1.408111136,1.848731335,1.911599799,1.773730361,1.880629091,1.834247955,1.830172463,1.860696924
11726,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+16.166014",548.4438,16.166014,0.103156024,0.069558224,0.16767707,0.01690694,0.213409117,0.231905781,0.013246294,0.313462891,0.252637728,0.386026243,0.231966764,0.402030522,0.46403544,0.216383222
11727,C18 H26 O3,"(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid",290.1879,14.413987,1.967721893,1.961593594,1.844813197,1.81275284,2.03578922,1.792720487,1.96148017,-1.881262863,-1.937114056,-1.81463337,-1.759594944,-2.061591699,-1.889750894,-1.875790317
11728,C33 H65 N O9 P,PC(16:0/9:0(CHO)) Esi+12.175029,667.4605,12.175029,0.439627674,0.644315097,0.05753352,0.368156274,0.457462349,0.586591442,0.303963826,-0.183069996,-0.352814384,0.019432081,-0.124137769,-0.289834955,-0.284871649,-0.11743472
11729,C9 H13 N2 O8 P,Deoxyuridine monophosphate (dUMP),308.0408,2.0109951,1.35010869,1.461373113,1.050616183,1.382055939,1.267556075,1.428605211,1.242901888,0.756230274,0.958335125,0.515122733,0.766078529,0.722575979,0.833236692,0.706581399
11730,C11 H13 N O4,Dioxacarb,222.0804,3.5109916,1.40838547,1.339147833,1.395223465,1.460253678,1.324164406,1.313355324,1.383603894,1.2887734,1.36400886,1.199018815,1.338561186,1.212297539,1.351638367,1.248242039
11731,C31 H63 N8 O P,C31 H63 N8 O P Esi+16.235046,590.4736,16.235046,1.894397638,1.992200029,1.751265437,1.897025976,1.894903515,2.021886262,1.81624823,-1.264558454,-1.438693959,-1.056817853,-1.242331507,-1.295507378,-1.296282608,-1.244104724
11732,C30 H3 Cl3 N6 O4 S4,C30 H3 Cl3 N6 O4 S4,743.8162,5.26501,2.186212122,2.204864149,2.273550079,2.289952299,2.291931578,2.274025973,2.275539133,2.958435908,3.00662708,2.900944685,2.880783423,3.05125452,3.220088411,2.7897389
11733,C23 H36 O8,3''-HydroxyPravastatin Esi+10.550026,440.2411,10.550026,0.662309326,0.654639055,0.771312454,0.669781541,0.681479824,0.726632058,0.656294163,0.582737626,0.513822523,0.664952136,0.618936135,0.526230449,0.658650353,0.533793895
11734,C23 H38 O9,[6]-Gingerdiol 5-O-beta-D-glucopyranoside Esi+9.043975,458.2518,9.043975,0.387861356,0.587781659,0.242745845,0.603324819,0.199401701,0.676543105,0.299614864,0.670738987,0.694648636,0.642215196,0.856136572,0.387929105,0.8692991,0.542719967
11735,C32 H52 O9,Tokoronin Esi+11.873026,597.3943,11.873026,1.129858687,1.285012175,0.901999441,1.217088509,0.983822832,1.260736244,1.019542052,0.855069165,1.055284568,0.616215701,0.923605119,0.748056132,0.966565116,0.783183617
11736,C25 H43 N8 P,C25 H43 N8 P,486.3391,14.437989,0.698762527,0.730990224,0.495498672,0.642590818,0.631569263,0.499757218,0.664603075,-0.430963433,-0.483560661,-0.368215864,-0.399953076,-0.488718274,-0.314802457,-0.505856694
11737,C26 H28 O6,Kanzonol K,436.1876,11.021979,0.75974478,0.767502717,0.749386251,0.64545618,1.100910027,0.796646823,0.830307858,-0.314422563,-0.285299259,-0.349166153,-0.19469479,-0.493088929,-0.233388588,-0.366668151
11738,C29 H67 N29 O6,C29 H67 N29 O6,917.5824,14.083007,1.47601173,1.427058671,1.272615543,1.380391512,1.378451868,1.208515237,1.499710358,-1.209679088,-1.325609462,-1.071376184,-1.134185021,-1.297961149,-1.072392016,-1.29819312
11739,C23 H30 O2,Santalyl phenylacetate Esi+14.724036,338.221,14.724036,0.247730901,0.211098274,0.223887411,0.123022138,0.393743747,0.148564344,0.301004355,0.27196588,0.229011642,0.323209534,0.161681312,0.405891174,0.175746523,0.334002045
11740,C11 H18 O3,C11 H18 O3 Esi+6.5150123,198.1255,6.5150123,0.097632472,0.097530161,0.02768608,0.028254576,0.124229456,0.439084155,0.054417874,0.086837461,0.142748436,0.02013665,0.12265597,0.025556075,0.387426321,-0.106963251
11741,C29 H46 F2 O3,"24,24-difluoro-1?,25-dihydroxy-26,27-dimethylvitamin D3 / 24,24-difluoro-1?,25-dihydroxy-26,27-dimethylcholecalciferol",480.3414,14.410959,0.985011713,1.09969,0.654546601,0.963999203,0.826930711,0.814350721,0.923592773,-0.593996548,-0.777198595,-0.375439719,-0.610482013,-0.57868322,-0.520040409,-0.641678795
11742,C33 H48 N4 O6,L-Urobilinogen Esi+11.932,596.3545,11.932,1.269577357,1.275422997,1.180671116,1.26194114,1.322522176,1.292500776,1.276034296,1.416903174,1.369608612,1.473324757,1.3888803,1.440427934,1.364155351,1.450911639
11743,C20 H32 O4,"14,15-HxA3 (11S)",336.2272,11.200997,0.271231246,0.039054709,0.443519392,0.019981132,0.414530516,0.123055173,0.5136078,-0.086166964,-0.012167382,-0.174447168,0.004179242,-0.192237372,0.081146251,-0.194039958
11744,C41 H48 N17 O12,C41 H48 N17 O12,970.3649,5.9359956,1.779729621,1.703692742,1.864234488,1.747409868,1.962986339,1.668185521,1.935782809,1.67508161,1.624015651,1.736002403,1.534839681,1.85693068,1.59160633,1.728901197
11745,C32 H58 O9,C32 H58 O9 Esi+14.40202,586.4087,14.40202,1.32946632,1.330766426,1.484459772,1.310761618,1.473854948,1.383850179,1.390787301,1.020561716,0.943962993,1.111942648,1.01827102,1.011433911,1.074681797,0.985668506
11746,C28 H50 O5,6?-Hydroxy-castasterone Esi+14.429992,466.3659,14.429992,1.555455786,1.576956194,1.432487516,1.479761771,1.532259506,1.39986428,1.586075197,-1.31970758,-1.427553962,-1.191048739,-1.318223731,-1.331883892,-1.222308278,-1.382504499
11747,C9 H19 N5 O3 S,Cysteinyl-Arginine Esi+6.8940125,294.1443,6.8940125,0.094374609,0.380468863,0.212205966,0.287232965,0.047101897,0.303815729,0.037431685,0.050716907,0.275699015,-0.217682801,0.109623988,-0.05528781,0.209222989,-0.051477804
11748,<none>,<none> Esi+5.169005,674.8104,5.169005,2.120850823,2.16702576,2.280501518,2.203773642,2.386990488,2.303461901,2.240388412,1.918466575,1.929616226,1.905165236,1.797879011,2.073924765,2.06553194,1.823648116
11749,C23 H30 D4 O5,Latanoprost (free acid)-d4 Esi+10.193977,411.2811,10.193977,0.679420442,0.579806344,0.656849709,0.526241687,0.757092124,0.642838711,0.60247465,0.745474642,0.782913249,0.700811041,0.641848756,0.843412163,0.858170598,0.672815408
11750,C47 H100 N11,C47 H100 N11,818.8139,5.4030113,1.935873238,1.989098784,1.776587574,1.99405283,1.925452824,2.000138212,1.886698474,1.676469919,1.78937467,1.541776532,1.659713491,1.68915093,1.802017213,1.595524954
11751,C27 H56 N5 O14 S,C27 H56 N5 O14 S,706.3579,15.116973,1.685245923,1.895374229,1.273362138,1.609626192,1.631732214,1.704791929,1.589660157,-0.982522859,-1.09735353,-0.845531884,-0.961749092,-1.006848849,-0.97755359,-0.98572673
11752,C20 H30 N4 O2,SB 939 Esi+10.232009,358.2348,10.232009,2.619987637,2.580039314,2.744392265,2.669283779,2.756181545,2.634773702,2.702573692,3.295815619,3.133384274,3.489593363,3.129343495,3.514206985,3.251525117,3.324371337
11753,C27 H58 Cl N2 O4 P,C27 H58 Cl N2 O4 P,540.3786,14.759015,1.345459168,1.38546816,1.260122699,1.224882399,1.526038635,1.106863383,1.4573845,-2.245789988,-2.440241136,-2.01381318,-2.048651181,-2.581863327,-1.873763714,-2.485649033
11754,C47 H62 N4 O P,C47 H62 N4 O P,727.4577,13.680997,0.80273757,0.719916135,0.768372038,0.769566289,0.699671525,0.481816147,0.93520447,-0.48190498,-0.417417052,-0.558837946,-0.443213096,-0.512096697,-0.218427333,-0.651778726
11755,C30 H52 O6,Fasciculol C Esi+14.114991,508.3823,14.114991,0.168839938,0.361428221,0.079367728,0.193105801,0.177679799,0.428552763,0.015407071,-0.0739857,-0.218697307,0.098652708,-0.073623229,-0.083459699,-0.30488674,0.074884707
11756,C22 H54 Cl N9 O2,C22 H54 Cl N9 O2,509.4314,15.006013,1.748000712,1.953848369,1.328982869,1.698189578,1.687585076,1.751691075,1.675901289,-1.535568092,-1.699970513,-1.339438888,-1.510630899,-1.55912508,-1.469775005,-1.57798732
11757,C26 H59 N5 O4 S2,C26 H59 N5 O4 S2,569.4117,12.139011,1.764245545,1.588161262,1.852880868,1.619210826,1.84551612,1.718216732,1.749681931,-2.638454094,-2.362389677,-2.967794099,-2.445163696,-2.886906374,-2.589443337,-2.670053134
11758,C34 H52 O6,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid Esi+14.586983",556.3732,14.586983,0.347268758,0.409482312,0.247415175,0.4377935,0.318521144,0.2279034,0.461745702,-0.338656432,-0.420485772,-0.241035465,-0.32811456,-0.383486022,-0.157885335,-0.455206218
11759,C11 H22 N2 O8,Mannopine Esi+7.2730002,310.1385,7.2730002,1.941386445,1.927329574,1.820626214,1.810411023,2.03768712,1.877650383,1.961661805,1.603454929,1.537449506,1.682198241,1.475144815,1.759168448,1.534838882,1.647694222
11760,C6 H10 N6 O,Dacarbazine,182.0916,3.575993,0.242972009,0.213068512,0.158619767,0.034189725,0.291132523,0.13073154,0.193182252,-0.387161991,-0.398800814,-0.37327708,-0.201507729,-0.564446751,-0.309961091,-0.436936256
11761,C22 H43 O12 P,PI(13:0/0:0) Esi+14.774017,530.2515,14.774017,1.949591463,2.141380833,1.557759475,1.902909152,1.915771623,2.004322057,1.857983698,-1.516042769,-1.660656171,-1.343521518,-1.48411564,-1.554321561,-1.51413165,-1.517274938
11762,C22 H38 O9,C22 H38 O9 Esi+9.177001,446.2511,9.177001,0.813483356,0.577591884,1.141662265,0.783493211,0.720388361,0.633865299,0.912239379,-1.226469999,-0.853234265,-1.671733681,-1.319225943,-1.046199656,-1.036744262,-1.348793171
11763,C17 H18 F3 N O,Fluoxetine,308.1237,4.9799924,0.690705623,0.549496532,1.085329038,0.74233799,0.815366336,0.890374191,0.731798184,-0.488739579,-0.371828829,-0.628212052,-0.391262929,-0.597376655,-0.528204837,-0.463294873
11764,C24 H54 N7 O23,C24 H54 N7 O23,808.3264,5.4019923,1.859389234,1.832065718,1.880551759,1.87439189,1.964705741,1.917437061,1.877644688,1.643607351,1.629802025,1.660076862,1.577658784,1.723295625,1.736989901,1.58340018
11765,C22 H47 N5 S3,C22 H47 N5 S3,477.2984,7.6999817,0.13616366,0.162396855,0.506002085,0.086500635,0.133199276,0.22415204,0.291294793,-0.052124797,0.11738668,-0.254349015,-0.021342063,-0.120328036,0.139563991,-0.175713621
11766,C14 H26 N6 O5,Ser Arg Pro Esi+6.245982,358.1929,6.245982,1.037480624,0.86065417,1.165111351,0.931498642,1.042487601,0.93570188,1.012476283,-0.650759397,-0.5299526,-0.794879787,-0.590078764,-0.757064272,-0.575668744,-0.699173108
11767,C13 H24 N6 O4,Arg Pro Gly Esi+6.807006 :1,328.1862,6.807006,0.004772578,0.032295162,0.069492309,0.049323437,0.054263621,0.128941352,1.52E-05,0.017329461,0.00728866,0.02930796,0.024559077,-0.007380333,0.00644502,0.024347061
11768,C42 H63 N O3 P,C42 H63 N O3 P,660.4564,13.487039,0.447020113,0.419753192,0.454855987,0.393322028,0.539809173,0.474633704,0.490957246,0.493043549,0.48493779,0.502713577,0.448059489,0.541293031,0.502204355,0.48713724
11769,C15 H24 N6 O5,His Asn Val Esi+8.484007,368.1803,8.484007,1.32401955,1.1263161,1.264419276,1.29547016,1.254349585,1.013219165,1.340118621,-0.495511119,-0.46004167,-0.537825548,-0.480205417,-0.506999993,-0.415869083,-0.546859273
11770,C38 H79 N,C38 H79 N Esi+16.214005,549.6204,16.214005,0.19817855,0.276376493,0.001411314,0.086362491,0.214643359,0.141340472,0.174092749,0.055333728,0.054723834,0.056061321,0.046032753,0.067926517,0.046491897,0.061034383
11771,C30 H52 O5,Xeniasterol-a Esi+15.324968,492.3825,15.324968,0.902314933,0.797417935,0.84295345,0.867811037,0.789217315,0.789812263,0.866122575,-0.669529721,-0.698795139,-0.63461659,-0.641249576,-0.717961888,-0.634572237,-0.692068098
11772,C13 H24 N6 O7,Arg Ser Asp Esi+5.093995,376.1711,5.093995,0.581364363,0.70226614,0.616866725,0.353284065,0.905396602,0.24794245,0.913463296,-0.745153674,-0.729665957,-0.763630248,-0.428541368,-1.18229174,-0.319390741,-1.019658723
11773,C24 H40 O9,C24 H40 O9 Esi+10.083987,472.2671,10.083987,1.155587456,1.213412851,1.193692578,1.401585355,0.955549433,1.714070847,0.925897965,1.685303085,1.532972984,1.867030222,1.83116309,1.462525541,2.040841388,1.456074442
11774,C29 H61 N O9 P,C29 H61 N O9 P,597.4094,13.790015,1.995100721,1.957704246,1.893164209,1.921257084,1.995392275,1.934037942,1.973033147,-2.71038157,-2.764575929,-2.645728652,-2.704594209,-2.700425766,-2.592726615,-2.786238055
11775,C8 H6 Cl3 O7 P S5,C8 H6 Cl3 O7 P S5,509.7516,5.1090055,2.108798105,2.119258295,2.031932195,2.096883031,2.199260081,1.906221107,2.236242583,2.510771079,2.559574779,2.452549121,2.414488095,2.670772596,2.304097485,2.644021159
11776,C23 H49 N O5 P S,HEPC Esi+7.5870075 :1,499.3349,7.5870075,0.663422248,0.473391951,0.768987427,0.691367007,0.56861547,0.775363197,0.526819278,0.556698816,0.479209027,0.649142776,0.597394677,0.473419407,0.690591538,0.470373246
11777,C31 H50 O5,Ganoderiol I,502.3617,14.595966,0.751130153,0.741980489,0.539130537,0.672399372,0.674197445,0.438537397,0.805786507,-0.380568047,-0.451669661,-0.29574507,-0.372075822,-0.395182947,-0.230456399,-0.477350558
11778,C21 H47 N22 O,C21 H47 N22 O,623.4305,11.489011,1.067845329,1.136267081,0.934388443,1.365718383,0.745749208,0.999985281,1.058271436,-0.899814303,-0.888263361,-0.913594374,-0.958270303,-0.790078564,-0.768429045,-0.984523219
11779,C8 H23 N7 O4 P,C8 H23 N7 O4 P,310.136,7.2780027,2.032777678,2.049213523,1.82225042,1.953784386,2.021396536,2.03659731,1.96008924,1.564808491,1.52935861,1.607099576,1.48825193,1.64981033,1.578831859,1.555767108
11780,C29 H44 N4 O5,C29 H44 N4 O5,528.3259,12.087012,1.707627874,1.882445671,1.545027772,1.788555983,1.591832354,1.905577405,1.593916341,-2.496934864,-2.821841217,-2.109327285,-2.590015845,-2.338385779,-2.531957978,-2.474354172
11781,C18 H30 O6,"(-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid Esi+12.319987",342.2043,12.319987,1.965549163,1.745259797,2.076630915,1.859158964,2.031165449,1.850885908,1.987842395,2.793356405,2.56550408,3.065180232,2.614894349,3.039183586,2.667905769,2.874239052
11782,C21 H49 N8 O3 P,C21 H49 N8 O3 P,492.3706,14.349045,0.846270431,0.732080202,0.74052631,0.718092937,0.866712821,0.675086073,0.920692063,-0.666395732,-0.802295821,-0.50426931,-0.549430087,-0.807902317,-0.552598937,-0.739764719
11783,C32 H62 O7,C32 H62 O7,558.451,14.693044,1.49507468,1.507568394,1.397690868,1.50362139,1.407893678,1.451016855,1.459186695,-1.085305303,-1.215811979,-0.92961313,-1.077597836,-1.100071555,-1.037621064,-1.11604909
11784,C11 H9 I3 N2 O4,Iothalamic acid Esi+5.1229906,613.7748,5.1229906,2.380670491,2.412408882,2.314461629,2.451794364,2.424869834,2.356396134,2.418071227,3.175819479,3.247596749,3.090190454,3.04526093,3.348378313,3.185995286,3.169258761
11785,C21 H27 F O4,"17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione",384.1712,15.65299,1.875765939,1.906664538,1.5773856,1.769350365,1.810542195,1.828853393,1.786221336,-0.897868428,-0.937076817,-0.851093508,-0.861484048,-0.94557744,-0.875484361,-0.912300261
11786,C22 H26 O8,(R)-Byakangelicinn 2'-(3-methylbutanoate) Esi+8.547983,440.1454,8.547983,0.869385943,0.687510108,0.843593659,0.706414113,0.837217392,0.770564313,0.79711673,-0.415354867,-0.398528084,-0.435428924,-0.400879362,-0.446666835,-0.463455926,-0.384342342
11787,C7 H17 N10 O,C7 H17 N10 O Esi+5.1129904,257.1628,5.1129904,1.380945519,1.378334646,1.213276491,1.254571388,1.436489148,1.109669308,1.529099599,1.302835482,1.435971651,1.144006368,1.184592113,1.464542274,0.936084062,1.539293634
11788,C30 H50 O6,Theasapogenol A Esi+13.782975,506.3384,13.782975,0.072159712,0.255950213,0.099549607,0.089223246,0.017654572,0.099142448,0.176514721,0.0533413,-0.121754612,0.262227652,0.006338995,0.102838109,0.14029457,-0.002720677
11789,C15 H34 N21 O4 P,C15 H34 N21 O4 P Esi+5.1209893,603.2851,5.1209893,2.196804951,2.176851083,2.106860411,2.18205715,2.255103339,2.078499921,2.240734002,3.261050238,3.217970235,3.312443925,3.107606315,3.502834156,3.163150584,3.324169751
11790,C27 H37 F O2,"1?-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 1?-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol Esi+13.813979",412.2838,13.813979,0.426633806,0.256324803,0.596375961,0.609089125,0.291461879,0.860445712,0.161469248,0.367418228,0.246223569,0.51200133,0.433958026,0.283411658,0.666327619,0.174700331
11791,C11 H22 N2 O,Cycluron Esi+1.6109957,198.1728,1.6109957,1.486302817,1.47696829,1.271574426,1.577352022,1.294631144,1.345205549,1.440071374,1.102005196,1.236961319,0.941004908,1.095327005,1.120105149,1.025793741,1.151141528
11792,C26 H45 N O9 S2,Taurochenodeoxycholic acid 7-sulfate,579.2539,5.7039967,2.305835014,2.445541768,2.292755263,2.476435681,2.468657519,2.385219013,2.470540514,1.905975671,2.129115575,1.639773682,1.809298931,2.047156,1.869184004,1.929696615
11793,C14 H26 O3,14-hydroxy-5Z-tetradecenoic acid Esi+15.339024,242.1879,15.339024,1.559612798,1.603508178,1.329998879,1.4315207,1.499871139,1.543810207,1.486600369,-1.298876906,-1.460287035,-1.106317455,-1.316645407,-1.255900908,-1.313678943,-1.289333488
11794,C30 H44 N6 O2,U-83836E Esi+12.931023,520.347,12.931023,1.768462324,1.884367206,1.581827395,1.887236626,1.647812737,1.809116881,1.793531247,-1.944189589,-2.058503472,-1.807815131,-1.987033909,-1.868002934,-1.948658019,-1.941308627
11795,C24 H36 N12 O,C24 H36 N12 O Esi+14.591013,508.3152,14.591013,0.495182757,0.477120096,0.509200754,0.60592918,0.352443196,0.771541137,0.322981521,0.40920976,0.388276722,0.434182507,0.477250322,0.301524155,0.57374903,0.30312523
11796,C23 H33 N O3,C23 H33 N O3,371.2464,14.504984,1.463384445,1.640313147,1.096515269,1.428769498,1.38979556,1.454279577,1.389750667,-1.423285463,-1.672449495,-1.126037143,-1.479953949,-1.328855027,-1.425192279,-1.422056068
11797,C43 H49 N O15,Docetaxel M4,819.3181,5.40301,1.838429811,1.864064908,1.863826648,1.896524867,1.985510698,1.950787816,1.877796805,1.348641053,1.365202496,1.328883541,1.302711472,1.402452862,1.439759625,1.289893552
11798,C27 H50 O3,C27 H50 O3,422.374,15.254954,1.681778471,1.761694905,1.725381299,1.772709832,1.656604245,2.155337596,1.492719563,-1.754087385,-2.05114872,-1.399698425,-1.90720066,-1.505396147,-2.139850394,-1.505371761
11799,C19 H38 N10,C19 H38 N10,406.326,14.610032,0.30347145,0.474165192,0.005403452,0.333543473,0.274116608,0.285587907,0.277307693,0.258915784,0.397607509,0.093458989,0.286941666,0.240745494,0.229317653,0.27799879
11800,C24 H38 O4,6?-Hydroxy-3-oxo-5?-cholan-24-oic Acid Esi+16.302982,390.277,16.302982,0.71780636,0.723509259,0.650300149,0.779350748,0.548708127,0.67557104,0.666753997,-1.246244131,-1.313657499,-1.165821166,-1.320268196,-1.17538372,-1.333392318,-1.190056484
11801,C27 H59 N O10 P,C27 H59 N O10 P,588.3898,13.269025,1.159432553,1.086841954,1.008230629,0.961149155,1.216090713,0.727870585,1.298858255,-2.158131699,-2.27454708,-2.019250192,-1.906334858,-2.50709682,-1.658690448,-2.480139874
11802,C25 H33 N23 O6,C25 H33 N23 O6,751.2975,5.2659955,2.155227341,2.190562755,2.191057002,2.277320409,2.233185403,2.217803721,2.235997703,2.238051357,2.283556269,2.183764794,2.132146127,2.367040767,2.348999828,2.16651879
11803,C12 H24 N12,C12 H24 N12 Esi+11.199973,336.226,11.199973,0.229192409,0.007029478,0.414747905,0.007658256,0.30410728,0.200479688,0.468428218,-0.103874552,-0.009334316,-0.216659396,-0.041936568,-0.164862132,0.074746354,-0.219038031
11804,C16 H28 N6 O4,Pro Arg Pro Esi+10.237026,368.2181,10.237026,1.889418474,1.833659338,1.935788101,1.823758171,1.990560354,1.721760216,2.01815796,1.742642335,1.622196083,1.886332601,1.698771842,1.800016163,1.634656498,1.812264783
11805,C27 H47 N O7,Tumonoic Acid I Esi+12.965021,519.3242,12.965021,1.802856053,1.856650106,1.757886427,1.877557307,1.784035212,1.868952463,1.731394989,-1.425923966,-1.395866542,-1.461781944,-1.378223062,-1.480510644,-1.480933571,-1.390457247
11806,C29 H45 N7 O6 S,Glycylalanylprolylmethionylphenylalanylvalinamide Esi+15.000983 :1,618.3026,15.000983,2.507508542,2.74638366,2.28118089,2.609403075,2.583012786,2.710648994,2.495248799,-3.414529611,-3.712688729,-3.058831015,-3.400527409,-3.422415603,-3.414875507,-3.414306599
11807,C35 H58 O11,Filipin III Esi+12.223013,654.3993,12.223013,2.30470118,2.332167137,2.362969422,2.444835573,2.308928068,2.399009958,2.338388857,3.610599895,3.578033462,3.649451078,3.676796214,3.481432751,3.691446959,3.558474814
11808,C25 H50 N10 O2,C25 H50 N10 O2,522.4135,10.433002,0.5709127,0.519806438,0.564100546,0.443062671,0.579235527,0.270637984,0.74715289,0.363033234,0.345343474,0.384136807,0.288666316,0.432953247,0.223469476,0.45301513
11809,C31 H54 O4,Aragusteroketal,512.3789,15.844976,1.349702475,1.406316844,1.202298553,1.292787987,1.394623944,1.277552261,1.405894664,-1.132549826,-1.262854762,-0.977098325,-1.086385837,-1.206383996,-1.076675836,-1.168573846
11810,C9 H12 O3,4-Ipomeanol Esi+6.280019,168.0772,6.280019,0.951875468,1.054344306,0.811118087,0.788569011,1.106890798,1.014382708,0.853703257,-0.473038021,-0.534187989,-0.400087181,-0.415716481,-0.545169712,-0.52672855,-0.438421758
11811,C7 H3 Cl3 N3 O6 P S5,C7 H3 Cl3 N3 O6 P S5,520.7426,5.112996,2.160841707,2.224146489,2.195685948,2.291651224,2.273707562,2.169435107,2.255274428,2.088688341,2.160304595,2.003251407,2.020935647,2.186339721,2.100574484,2.081024907
11812,C29 H48 O6,Homodolicholide Esi+13.583986,514.3267,13.583986,0.953573827,1.052014156,0.857139847,0.886087346,0.964919667,0.936815287,0.909134047,-0.759985119,-0.782817927,-0.73274598,-0.75529321,-0.723439819,-0.795010639,-0.737402876
11813,C15 H42 N16 S,C15 H42 N16 S,478.331,14.030023,0.571623603,0.345820133,0.835281972,0.519736276,0.585796417,0.59537787,0.524423833,0.543273114,0.415390913,0.695834336,0.53175904,0.554183618,0.5855794,0.515996693
11814,C33 H56 O6,cholesteryl beta-D-glucoside Esi+14.846998,548.4028,14.846998,1.380457256,1.554318639,1.054306799,1.363141212,1.326797457,1.418186653,1.298500885,-1.833257744,-2.270910299,-1.311145924,-1.843373143,-1.851678703,-1.967702722,-1.746576113
11815,C19 H37 N8 O4,C19 H37 N8 O4,441.3059,9.266994,0.777461368,0.628681604,0.988883165,0.75740485,0.87968081,0.463500982,0.912359612,-0.807138893,-0.652744409,-0.991328805,-0.725575761,-0.925015759,-0.531178714,-0.985060588
11816,C21 H5 N O15,C21 H5 N O15,510.9675,5.5,0.115708917,0.226669203,0.102643581,0.062763484,0.080855276,0.37032487,0.085471483,0.059054147,0.147868571,-0.046899902,0.069254139,0.045731813,0.204278776,-0.034577522
11817,C16 H14 N4,Sudan Brown RR Esi+7.5429993,262.118,7.5429993,0.445709741,0.6469844,0.136978214,0.239381173,0.570143802,0.608470232,0.329060853,0.310693359,0.447501146,0.147484068,0.253917567,0.382152799,0.472146614,0.206598497
11818,C40 H50 O3,Anhydroamarouciaxanthin B Esi+9.587007,578.3707,9.587007,0.53825188,0.556843146,0.55031312,0.483650039,0.723573312,0.256857538,0.66942435,-0.434678122,-0.402096978,-0.473546856,-0.318744679,-0.632400225,-0.220471881,-0.572784778
11819,C32 H50 O6,Acinospesigenin A Esi+14.129985,530.3639,14.129985,0.79021575,0.924726083,0.530503742,0.644502704,0.945155969,0.966496724,0.659192315,-0.453989629,-0.586519375,-0.295883966,-0.37272819,-0.547786203,-0.599470799,-0.360192558
11820,C22 H38 O7,Ascorbyl Palmitate Esi+11.365987,414.2656,11.365987,0.499585604,0.576242652,0.152802323,0.419898252,0.415473832,0.357953884,0.475412643,-0.547991659,-0.783214892,-0.26737447,-0.517059718,-0.569504719,-0.464512731,-0.6018136
11821,C39 H74 O5,DG(19:1(9Z)/17:0/0:0)[iso2] Esi+14.819979,639.5786,14.819979,0.961390944,0.763524021,0.853704914,0.898796329,0.736132376,0.760744628,0.853036512,-0.374151172,-0.389724764,-0.35557215,-0.390682275,-0.351216485,-0.400541647,-0.35713626
11822,C27 H46 O4,"Cholest-7-en-3beta,5alpha,6beta,9alpha-tetrol Esi+16.364992",434.3394,16.364992,1.580981089,1.49543394,1.460662042,1.470709887,1.447119083,1.507526964,1.448720017,-0.847452692,-0.90528439,-0.77846049,-0.868132801,-0.817370264,-0.87226406,-0.831455888
11823,C26 H39 N3 O3,N-arachidonoyl histidine Esi+8.99301,441.2947,8.99301,1.016041899,0.733158875,1.208545239,0.726854792,1.204307391,0.563868783,1.16233878,-0.86443595,-0.708646411,-1.050290136,-0.682629057,-1.095187757,-0.511368609,-1.092071472
11824,C26 H36 O11,"(8R,8'R)-Secoisolariciresinol 9-glucoside Esi+14.507003",541.2537,14.507003,1.187119008,1.12707445,1.004731837,0.985091148,1.24248801,1.048142622,1.165897494,-1.014999383,-1.128767074,-0.879276524,-0.972426331,-1.085734684,-0.987711002,-1.032593208
11825,C28 H51 Cl N11,C28 H51 Cl N11,576.3974,14.56398,0.817221345,0.886693128,0.675037964,0.675899505,0.907604051,0.561058697,0.891763474,-0.516304046,-0.604714672,-0.41083172,-0.415313855,-0.674963082,-0.35518786,-0.620181587
11826,C30 H38 N19 O3 P,C30 H38 N19 O3 P,743.3148,5.2589893,2.01197418,1.984949592,2.08030166,2.077517841,2.059297434,2.022920066,2.06658944,2.808632808,2.855671593,2.752516362,2.902289316,2.69158959,3.097677525,2.622275029
11827,C34 H60 O5,"DG(14:1(9Z)/17:2(9Z,12Z)/0:0)[iso2] Esi+15.066003",548.4415,15.066003,1.952985239,1.920120474,1.789686783,1.818774601,1.946709998,1.796402315,1.936869894,-1.739661179,-1.861935902,-1.593789581,-1.656846332,-1.842188365,-1.648794337,-1.79824638
11828,C17 H30 N16 O2,C17 H30 N16 O2,490.2747,6.807006,0.394618872,0.043389928,0.897152958,0.173694324,0.581125487,0.05513369,0.612005251,-0.351369544,-0.005392074,-0.764114595,-0.1547743,-0.645402163,0.004995802,-0.581131411
11829,C18 H22 N4 O4,C18 H22 N4 O4,358.156,6.3929963,0.531394086,0.75611382,0.203039298,0.660293746,0.311898159,0.824998821,0.327348833,-0.715408369,-1.102972255,-0.253051453,-0.887657956,-0.43670481,-1.211501752,-0.395558688
11830,C26 H42 N21 O3,C26 H42 N21 O3,696.3688,12.772975,1.177468805,0.905868631,1.382516189,1.110913194,1.243176042,1.10004443,1.173497136,2.067720112,1.521154726,2.719763028,2.07983007,1.999258753,1.917113446,2.164821778
11831,C17 H40 N13 S,C17 H40 N13 S,458.3242,14.031988,2.089702584,1.933312405,2.109167901,1.986603807,2.114120496,1.861092973,2.14120837,2.909438814,2.719461514,3.136078399,2.787096438,3.056328789,2.773279508,2.997225735
11832,<none>,<none> Esi+15.724015,978.7282,15.724015,1.80378791,1.749794795,1.649840973,1.698037787,1.711245432,1.779110964,1.652043043,-1.350150938,-1.423440787,-1.262717434,-1.346337558,-1.347983689,-1.411499198,-1.310597455
11833,C15 H28 N6 O6,Val Asp Arg,388.2069,7.1429853,0.145028706,0.201551251,0.590827925,0.270330749,0.012094735,0.152002261,0.132919943,-0.323728359,-0.002751767,-0.706647803,-0.407725713,-0.222241529,-0.309706235,-0.332768939
11834,C23 H38,"3Z,6Z,9Z,12Z,15Z-Tricosapentaene Esi+12.75 :1",331.3234,12.75,0.11928859,0.17526449,0.479117736,0.140855733,0.061873658,0.275140907,0.368820039,0.00993931,-0.140982206,0.18998603,0.01157223,0.014085,-0.255493606,0.181073689
11835,C16 H41 N5 O11 P,C16 H41 N5 O11 P Esi+5.112,510.2533,5.112,2.250440834,2.238480451,2.203460895,2.324283272,2.273373146,2.20351715,2.26273574,2.499550754,2.591382996,2.389996501,2.484643831,2.525608169,2.524323384,2.483578927
11836,C14 H24,"5-Ethyl-7-methyl-3E,5E,7E-undecatriene",214.1678,3.992995,0.994800412,1.007030571,0.875033609,0.954762386,1.023581868,0.950515336,0.996915643,-0.743125533,-0.862827426,-0.600323275,-0.768360157,-0.720825898,-0.775131956,-0.722489813
11837,C21 H38 N,Benzalkonium Esi+16.737032,303.292,16.737032,2.507126429,2.377515994,2.249934847,2.418011664,2.296890808,2.34762147,2.342988247,-1.058067548,-1.078275721,-1.033959552,-1.046053609,-1.073442815,-1.056507992,-1.059073051
11838,C26 H47 N11 O4 P,C26 H47 N11 O4 P,608.3521,13.563984,0.821335376,0.524036206,1.169839212,0.79758079,0.817423128,0.90161076,0.777837382,0.745435639,0.457251621,1.089234116,0.704877134,0.819190347,0.800440689,0.709971856
11839,C12 H19 N,C12 H19 N,177.1513,6.329989,1.237307111,1.30427706,1.058809037,0.98163469,1.456564233,1.16514533,1.243632404,-0.469552262,-0.524249578,-0.404299324,-0.4057006,-0.55882819,-0.489230689,-0.456864855
11840,C18 H45 N7 O14 P,C18 H45 N7 O14 P,614.2766,5.1240034,2.362127213,2.416491182,2.322573855,2.472455997,2.420171017,2.357975676,2.417082379,2.852284294,2.912866044,2.780011329,2.738210025,3.001526516,2.861693326,2.846217945
11841,C37 H40 O12,"5',8,8''-Trihydroxy-3',3''',4',4''',5''',7',7''-heptamethoxy-5,5''-biflavan",676.2548,5.799992,1.827153242,1.738962378,1.877593929,1.745968373,2.073297627,1.77420361,1.901226623,1.202457611,1.23824238,1.15976701,1.070653253,1.413844504,1.204112599,1.20139058
11842,C27 H61 Cl2 N11 S,C27 H61 Cl2 N11 S,641.4251,11.020014,0.512532122,0.432879731,0.532326516,0.416461031,0.482003144,0.338613026,0.518450748,-0.728112308,-0.61847574,-0.85890681,-0.501178818,-1.08487382,-0.434774378,-0.917238079
11843,C48 H103 N8 O,C48 H103 N8 O Esi+5.4010005,807.8256,5.4010005,1.864492276,1.840112303,1.772735193,1.835750325,1.90778092,1.854706374,1.847282634,1.881890457,1.915439856,1.841866612,1.816839208,1.959098702,1.968021751,1.826358438
11844,C47 H87 O12 P,"PI(P-20:0/18:2(9Z,12Z))",873.5865,14.254963,0.069122376,0.009636692,0.12974096,0.088779814,0.172417451,0.120232307,0.213393339,0.094960201,0.062843829,0.133274471,0.092480265,0.137151831,-0.026514884,0.173279664
11845,C36 H75 N,Tridodecylamine Esi+15.302,521.5894,15.302,0.198532077,0.003417995,0.401544128,0.24508324,0.15521187,0.131182871,0.220979541,0.004698299,0.016809199,-0.009749792,0.001945741,0.007815984,-0.000922259,0.00832208
11846,C24 H47 N O5 P,C24 H47 N O5 P,460.316,14.19898,0.2501843,0.315671297,0.079595962,0.265087073,0.126887699,0.03547985,0.296614477,-0.172520099,-0.203312086,-0.1357858,-0.124420521,-0.254306442,0.02653476,-0.300858101
11847,C5 H8 O2,Dihydro-3-methyl-2(3H)-furanone,100.0524,6.3770065,1.747863053,1.844534311,1.523244033,1.725371505,1.722731697,1.869750995,1.631458462,1.218476972,1.244224603,1.187760499,1.177575907,1.259144582,1.276031436,1.181369488
11848,C27 H48 O2,"24:3(5Z,9Z,17Z)(15Me,19Me,23Me) Esi+14.805982",404.3644,14.805982,1.973057249,1.98817029,1.800631763,1.897136116,1.896391887,1.961043962,1.875137182,-1.263760704,-1.344173706,-1.167829402,-1.262976548,-1.248803469,-1.281021188,-1.252632233
11849,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+4.3239913,186.0891,4.3239913,0.292088021,0.293944912,0.231528711,0.314694474,0.133875626,0.296319792,0.237414261,-0.124620979,-0.120483277,-0.129557185,-0.13293112,-0.121041063,-0.14246076,-0.113119015
11850,C24 H38 O5,7-Ketodeoxycholic acid,406.2751,14.108983,1.258822983,1.160943927,1.242678948,1.171198121,1.21532034,1.266912247,1.174247418,-1.065814307,-1.035129397,-1.102420867,-0.948964703,-1.199996142,-1.010776855,-1.101298981
11851,C16 H26 O6,(+)-trans-Carveol glucoside Esi+6.8699956,336.154,6.8699956,1.194164077,1.080161344,1.161235987,1.100804646,1.178031993,1.195938338,1.105539784,-1.168609521,-1.099959689,-1.250507565,-1.015844908,-1.340892539,-1.2224944,-1.133867954
11852,C25 H39 N5 O3,C25 H39 N5 O3,457.305,10.649018,1.319448241,1.334194446,1.136848407,1.431076897,0.988963627,1.312854146,1.22159203,1.627976035,1.770043822,1.458491658,1.823043885,1.342586844,1.786865432,1.525534187
11853,C28 H44 O5,Polyporusterone G Esi+14.595967,460.3178,14.595967,0.021176698,0.11229819,0.008907905,0.027931668,0.030709596,0.264664231,0.097664302,0.178175838,0.212683631,0.137008646,0.242170415,0.072079526,0.394783733,0.038520747
11854,C13 H31 N8 P,C13 H31 N8 P,330.234,9.275016,2.083423276,2.093687921,2.149326094,2.018295106,2.27657828,1.996900127,2.233134619,-1.786702003,-1.798152635,-1.773041599,-1.73351796,-1.845389863,-1.669544593,-1.862237701
11855,C24 H51 N6 O4,C24 H51 N6 O4,487.3969,14.217023,1.135881329,1.083080319,1.006513461,1.163762835,0.934603615,0.950738684,1.10584394,-0.828384415,-0.909203227,-0.73196899,-0.905095156,-0.742194298,-0.768572156,-0.866947583
11856,C24 H28 N21 O2 P,C24 H28 N21 O2 P,673.2472,5.799992,1.670340828,1.580550002,1.677687287,1.511049207,1.905927883,1.535067358,1.743767986,1.122740485,1.178397083,1.056343139,0.989851189,1.337304592,1.084906411,1.147133506
11857,C41 H78 O5,DG(19:1(9Z)/19:0/0:0)[iso2] Esi+15.443985,667.6108,15.443985,0.495042515,0.400863986,0.427773527,0.461371596,0.376301218,0.367923326,0.445873475,-0.109009946,-0.120503986,-0.095297757,-0.11831761,-0.095972681,-0.120015587,-0.101914203
11858,C35 H67 N O8 S,2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid Esi+13.449971,660.4562,13.449971,0.879835282,0.807164614,0.934835306,0.825608395,0.959925011,0.793694751,0.979596708,0.932478176,0.814082313,1.073722364,0.897905916,0.969451684,0.843786698,0.98966084
11859,C31 H56 N6 S2,C31 H56 N6 S2,576.3983,14.727032,0.925769669,0.997908553,0.849044122,0.984217667,0.786316214,0.999901059,0.84825958,-0.636147465,-0.774974725,-0.47052898,-0.69116016,-0.572006642,-0.669763704,-0.614473838
11860,C14 H16 N4,Imiquimod Esi+6.6040034,240.1348,6.6040034,0.112415436,0.179201639,0.051493791,0.290033502,0.020855679,0.214766814,0.093749387,-0.069262919,-0.134837148,0.008965987,-0.134447102,0.037754973,-0.170141065,-0.004223061
11861,C23 H40 N14 P,C23 H40 N14 P,542.3379,12.927982,0.394382671,0.513283338,0.146895671,0.40461267,0.270026564,0.389944625,0.274144679,-0.29696042,-0.448837905,-0.115773245,-0.342145969,-0.219174213,-0.422437862,-0.21606049
11862,C41 H75 N O9,Phalluside-1,747.5142,12.843995,0.835362918,0.891584698,0.795137188,0.913379333,0.816057726,0.61945045,0.982496956,-0.882737398,-0.787235624,-0.996669338,-0.849840771,-0.963791346,-0.592540079,-1.069838301
11863,C30 H52 O6,Fasciculol C Esi+14.216002,508.3801,14.216002,0.733275352,0.855688535,0.490662135,0.752491053,0.716316118,0.763985506,0.727929494,-0.814145587,-0.971292338,-0.626672271,-0.766947992,-0.902343489,-0.819646164,-0.810599163
11864,C16 H27 N O2,Micropine,282.2304,7.2910066,0.770185508,0.650236813,0.738284353,0.706436859,0.730547355,0.56447913,0.814388133,-0.522953881,-0.570487726,-0.466246839,-0.552940957,-0.507119029,-0.506808595,-0.533363342
11865,C47 H100 N11,C47 H100 N11 Esi+5.403011,818.8151,5.403011,1.928283813,1.943808624,1.866607548,1.959232332,1.989797326,1.990071209,1.921241666,1.66973337,1.746393151,1.578279597,1.63503994,1.709490691,1.789399721,1.592580066
11866,C11 H9 I3 N2 O4,Iothalamic acid Esi+5.119996,613.7747,5.119996,2.19818035,2.233922648,2.170534756,2.275252623,2.323544452,2.157678273,2.276425885,2.79904111,2.75694796,2.8492575,2.651285836,3.036134362,2.722474209,2.848406612
11867,C14 H18 O4,Helinorbisabone Esi+7.150015,250.1186,7.150015,1.063215995,1.264031084,1.012851877,1.138623581,1.026593214,1.511325343,0.923737519,0.710093035,0.7124093,0.707329772,0.780904575,0.604755363,0.881066319,0.599860261
11868,C36 H60 O5,"DG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] Esi+15.438979",572.4423,15.438979,1.090656748,1.337125733,0.950277785,1.232941855,1.104623954,1.366402394,1.010931938,-1.191769124,-1.504155081,-0.819098158,-1.182019133,-1.198865367,-1.476989694,-1.007876914
11869,C17 H31 N7 O2,C17 H31 N7 O2,365.2561,9.958986,0.077463597,0.026290765,0.044405889,0.113060338,0.224812914,0.087357316,0.219472452,0.046962067,0.074983459,0.013533037,-0.023825827,0.134149119,-0.050449056,0.109766606
11870,C30 H46 N O7 P,Fosinopril Esi+12.239012,580.3214,12.239012,2.538791613,2.469298765,2.675111563,2.552101546,2.662532364,2.480575383,2.646952441,3.784476994,3.582020198,4.026004399,3.660815626,3.9234549,3.658892833,3.865445729
11871,C40 H77 O2 P S,C40 H77 O2 P S,652.5382,16.364012,1.830260973,1.834427915,1.639267761,1.737011991,1.768848131,1.622001233,1.822806964,-2.345279419,-2.538686059,-2.114548691,-2.339075429,-2.335112631,-2.131771958,-2.482935546
11872,C17 H28 N7,C17 H28 N7,330.2312,9.265012,1.569270163,1.43342585,1.796691242,1.216631466,1.944569428,1.370114564,1.756126329,-1.002936286,-0.889204297,-1.138616553,-0.828682619,-1.232655788,-0.892998734,-1.073817076
11873,C19 H38 N2 O2,C19 H38 N2 O2,326.2926,14.503982,0.405740985,0.386203243,0.276469237,0.369529174,0.194078999,0.700685212,0.100692024,-0.147470485,-0.132165368,-0.165729222,-0.147005932,-0.121976874,-0.296135092,-0.051620936
11874,C14 H20 N6 O2,Discadenine Esi+10.638996,304.1667,10.638996,1.574234351,1.591525124,1.427851413,1.576823967,1.517229997,1.64846575,1.467027133,-1.150587598,-1.136682647,-1.167175959,-1.052949659,-1.27053844,-1.078748612,-1.196904839
11875,C11 H20 N4 O6 S,Ser Gln Cys,336.1179,6.3709846,1.015217985,1.189264163,0.543583232,1.04087555,0.805493528,1.051472519,0.839634511,-0.608899461,-0.762707935,-0.425408649,-0.657168042,-0.54884053,-0.719788863,-0.537404977
11876,C23 H32 O7,Armillane,420.2206,14.208987,1.607839393,1.773881055,1.229384263,1.458017315,1.605018072,1.667108525,1.468170752,-1.54665043,-1.731119257,-1.326582355,-1.489820244,-1.614771175,-1.608307172,-1.506898057
11877,C18 H22 N4 O4,Pro Trp Gly,358.1607,6.4000125,0.519702422,0.75652094,0.201693992,0.652114061,0.325207271,0.696844802,0.360372523,-0.589532775,-0.854809393,-0.273062424,-0.741430978,-0.336090135,-0.826855051,-0.436522361
11878,C23 H44 O3,3-oxo-tricosanoic acid,368.3281,14.824975,1.907162489,1.923653042,1.74309896,1.873404198,1.768683917,1.922950784,1.779911594,-1.460396858,-1.574072595,-1.324783698,-1.507062022,-1.380565786,-1.541680461,-1.407990325
11879,C19 H28 O6,"[4]-Gingerdiol 3,5-diacetate",352.1857,8.865994,1.803858033,1.792836809,1.86500703,1.904741664,1.848179437,1.833164139,1.866565096,1.485309425,1.377621198,1.613779591,1.380470219,1.609356453,1.520580145,1.462569092
11880,C9 H14 O4,5-Butyltetrahydro-2-oxo-3-furancarboxylic acid Esi+6.2800174,186.0899,6.2800174,0.96206213,1.121317165,0.617859288,0.84606203,0.909484721,0.924040339,0.918422137,-0.763387038,-0.996104728,-0.485758916,-0.794682886,-0.737326149,-0.848636996,-0.708423248
11881,C24 H49 N O7 P,LysoPC(16:1(9Z)) Esi+11.33701,493.3237,11.33701,1.913318114,2.016807749,1.607237921,2.010414401,1.713989415,1.84629644,1.854512396,-1.863292833,-1.998795651,-1.701640347,-1.907304758,-1.789538718,-1.770379551,-1.923197448
11882,C14 H42 N16 O2 S,C14 H42 N16 O2 S,498.3427,12.959977,0.312617714,0.037517026,0.759322607,0.269594382,0.527715711,0.207477506,0.484312285,0.350703294,0.063209605,0.693678221,0.254052375,0.47628297,0.165337833,0.470215235
11883,C21 H32 N7 O4,C21 H32 N7 O4 Esi+9.172984,446.2498,9.172984,0.967501993,0.892674054,1.06507681,0.945248326,0.915396553,0.816696163,1.020270058,-1.783416347,-1.671332511,-1.917130397,-1.918199752,-1.556395702,-1.489788585,-1.972728983
11884,C23 H24 O3,Callytriol C Esi+14.409977,370.1556,14.409977,0.231988078,0.288796179,0.026567634,0.078277791,0.285650475,0.066765413,0.262205894,-0.181715732,-0.218497877,-0.137835279,-0.135045323,-0.270434333,-0.144932033,-0.205431538
11885,C18 H30 N2 O2,Butacaine,323.2565,6.345987,0.638687615,0.59976778,0.661799085,0.643548129,0.63252514,0.23169205,0.860354151,0.228306765,0.21874713,0.239711241,0.223167478,0.22938119,0.081531679,0.32293807
11886,C27 H41 D3 O3,"(5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol Esi+10.088994",419.3456,10.088994,0.784056904,0.923338352,0.49840018,0.534902416,1.006550189,0.712029177,0.797719549,-0.544657088,-0.636253391,-0.435384306,-0.438111835,-0.710755927,-0.524548009,-0.557622152
11887,C30 H3 Cl3 N6 O4 S4,C30 H3 Cl3 N6 O4 S4 Esi+5.26501,743.8164,5.26501,2.18681214,2.204534034,2.275485594,2.289938627,2.292858994,2.27385133,2.2766611,2.958961424,3.005819498,2.903060564,2.880947796,3.052283314,3.2199794,2.790673519
11888,C39 H58 N4 O5,3-hexanoyl-NBD Cholesterol Esi+15.636977,684.4292,15.636977,0.834402825,1.044849904,0.688915098,0.889457356,0.83224528,0.893882056,0.903626193,-0.317332977,-0.381697394,-0.240547357,-0.324130701,-0.31164714,-0.303546209,-0.326221815
11889,C11 H26 Cl N9 P,C11 H26 Cl N9 P,350.1696,9.005991,2.232907143,2.186631143,2.271413694,2.211846997,2.317337425,2.093472634,2.324372418,2.992670249,2.839853528,3.174977915,2.847207986,3.175339388,2.838368728,3.092154124
11890,C21 H43 N O3,C21 H43 N O3,357.3268,12.468995,0.905878035,0.90583402,0.689593191,0.901635003,0.760220672,0.900242171,0.814692422,-0.930281883,-1.157905156,-0.658731312,-0.984249879,-0.884892899,-0.975177359,-0.901336116
11891,C21 H30 N7 O3,C21 H30 N7 O3 Esi+10.069985,428.2422,10.069985,0.370848467,0.314484042,0.301315891,0.463821289,0.169253028,0.639931005,0.150524824,0.55281551,0.478989836,0.640888244,0.705616882,0.30425216,0.975038207,0.280592982
11892,C32 H48 N15,C32 H48 N15 Esi+12.7040205,641.44,12.7040205,0.162475974,0.243619968,0.075113783,0.247047957,0.04467638,0.251076098,0.008682873,-0.07147448,-0.14991997,0.022109613,-0.119699204,-0.027882162,-0.218832731,0.023532814
11893,<none>,<none> Esi+5.762007,596.7598,5.762007,1.664510573,1.609841782,1.665438697,1.453932135,1.988750108,1.532428675,1.769886906,0.986492675,1.039374706,0.923405339,0.820402475,1.240597253,0.93756619,1.018037382
11894,C34 H69 N O8 P,PC(9:0/17:0)[U],672.461,14.340974,2.260636038,2.239197272,2.191723828,2.279510005,2.259458385,2.329405475,2.177941487,-2.087129303,-2.097293064,-2.075004115,-2.057817947,-2.15363043,-2.132377275,-2.057956268
11895,C26 H44 O9,Mupirocin Esi+10.09301,500.2971,10.09301,1.920471546,1.874012309,1.981028663,1.929502415,1.917222706,1.966410847,1.923020166,2.85721139,2.71546068,3.0263175,2.799987142,2.891200088,2.85644142,2.857707818
11896,C38 H75 N O8 P,PC(18:1(9Z)/12:0) Esi+12.718995,703.5065,12.718995,1.36188714,1.437470601,1.19242673,1.388050307,1.465107832,1.343998661,1.433403802,-1.796485545,-2.041584929,-1.504086279,-1.630436337,-1.982766904,-1.567289669,-1.94425657
11897,C26 H47 N6 O2 P,C26 H47 N6 O2 P,506.3576,14.218995,0.170482664,0.120318594,0.3122238,0.210560899,0.140821271,0.616994334,0.045469193,0.273509849,0.234621939,0.319902444,0.31081208,0.222342212,0.62606745,0.046202975
11898,C28 H56 O5 P,C28 H56 O5 P Esi+14.773996,503.3859,14.773996,1.014122531,1.110711745,0.744360878,1.058482141,0.872602507,0.979818562,0.908799035,-1.310611371,-1.527422175,-1.051959886,-1.409478155,-1.203410839,-1.452893626,-1.21887676
11899,C27 H55 Cl N7 O4,C27 H55 Cl N7 O4,574.3912,14.7240305,1.145972073,1.301498168,0.927291085,1.315810945,0.956565816,1.173153826,1.11662651,-0.943606319,-1.044485461,-0.823259272,-1.018825364,-0.869566929,-0.872445201,-0.989486513
11900,C23 H36 O7,3'?-Isopravastatin Esi+10.651,424.2466,10.651,0.871034695,0.894790236,0.579316164,0.922431766,0.767443724,0.764289473,0.820037438,-0.810215468,-0.916120118,-0.683873078,-0.770297683,-0.856646964,-0.649356526,-0.913927154
11901,C24 H54 N7 O23,C24 H54 N7 O23 Esi+5.4019923,808.3269,5.4019923,1.862777956,1.836580828,1.880984228,1.877931411,1.966972524,1.917278172,1.882124501,1.647727314,1.635393725,1.66244107,1.582123622,1.7270124,1.738199789,1.589396377
11902,C38 H70 Cl N2 O5 S,C38 H70 Cl N2 O5 S,701.4732,14.022967,0.581789316,0.563110539,0.272424288,0.470620624,0.477339223,0.335994225,0.604239865,-0.320071916,-0.332098831,-0.305724016,-0.228395142,-0.456933087,-0.162605612,-0.421596243
11903,C30 H59 O12 P,PI(21:0/0:0),664.3336,14.031987,0.24718985,0.555254449,0.179568411,0.427089392,0.035511023,0.30246345,0.179281835,-0.414561819,-0.735009366,-0.032273517,-0.739956911,-0.008802841,-0.56066689,-0.320362497
11904,C40 H77 O12 P,PI(P-18:0/13:0) Esi+13.839028,780.5181,13.839028,0.428508997,0.299030847,0.512361477,0.422486551,0.266715156,0.367341743,0.4311435,0.245800048,0.175109315,0.330132852,0.286100857,0.171653385,0.242403208,0.247990115
11905,C18 H28 O5,Cibaric acid Esi+11.131997,324.1907,11.131997,1.508082191,1.308080288,1.846537409,1.452386866,1.733914607,1.295590441,1.778737685,0.994656665,0.841582327,1.177271665,0.926530997,1.127010633,0.896538159,1.057917281
11906,C21 H40 O,"9R,10S-Epoxy-6Z-heneicosene Esi+14.217017",325.3326,14.217017,2.174805796,2.185028104,1.948087554,2.159827074,2.099521981,2.09930851,2.125452245,-2.694053939,-2.745740508,-2.63239277,-2.735625924,-2.622641234,-2.748587893,-2.65889389
11907,C14 H11 Cl N O16 P S5,C14 H11 Cl N O16 P S5,674.8101,5.169005,2.124315945,2.167106367,2.287993564,2.203894575,2.393279943,2.303458924,2.24573671,1.920187831,1.929667219,1.908879088,1.797956028,2.077955762,2.065533327,1.826478236
11908,C17 H42 N15 O S,C17 H42 N15 O S,502.3274,14.410964,0.320419545,0.384550269,0.148928934,0.284048637,0.274928078,0.289128534,0.241372407,-0.182228207,-0.246434818,-0.105630847,-0.182546095,-0.194313298,-0.214919263,-0.161151079
11909,C30 H46 N6 O4,C30 H46 N6 O4,552.3392,14.113017,0.992878311,1.090176463,0.802043824,1.018469433,0.929480584,0.975841265,0.94489889,-0.69528393,-0.816622092,-0.550529631,-0.745419523,-0.654443634,-0.717335606,-0.681066401
11910,C19 H30 D3 N3 O8 S,4-hydroxy Nonenal Glutathione-d3 Esi+9.599986,466.2182,9.599986,1.663901336,1.59942373,1.770411078,1.572369867,1.788173313,1.759428186,1.6512861,2.024243896,1.941204514,2.123308421,2.000665629,2.00700517,2.191653607,1.916308687
11911,C18 H20 N2 O3,Phe Phe Esi+5.57201,312.1482,5.57201,0.641821352,0.733593191,0.393000957,0.438631795,0.675028224,0.515024783,0.661303189,-1.194191014,-1.60255992,-0.707014073,-1.108411594,-1.243995106,-1.131278238,-1.234753198
11912,C14 H24 N6 O4,Lys Gly His Esi+7.693981,340.1878,7.693981,1.455984477,1.353762414,1.396550637,1.511708473,1.190760637,1.459571727,1.344099914,1.554004948,1.487003145,1.633936924,1.630657906,1.412934466,1.691539361,1.465331444
11913,C19 H30 O3,[8]-Paradol Esi+11.642015,323.2432,11.642015,1.884619147,1.856797019,2.10034121,1.927957206,2.113572947,1.959617209,2.009512413,-0.930812162,-0.842404599,-1.036280835,-0.853188621,-1.041274037,-0.871740501,-0.968897839
11914,C25 H30 N4 O5,Trp Val Tyr Esi+9.178983,466.2176,9.178983,0.585326803,0.438211259,0.801997224,0.552114063,0.5019075,0.358625595,0.687417051,-0.658054951,-0.477817107,-0.873075538,-0.688118121,-0.578666531,-0.504079101,-0.757328855
11915,C5 H8 N6 O,5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide Esi+6.2829914,168.0785,6.2829914,0.683713731,0.599122847,0.668028602,0.393499956,0.898831501,0.25442514,0.844660222,-0.362415801,-0.331869424,-0.398857092,-0.270361786,-0.498183416,-0.180146727,-0.479931388
11916,C30 H64 Cl N12,C30 H64 Cl N12,627.5056,15.291014,1.921651427,1.923842326,1.660308156,1.84838001,1.774983272,1.83051598,1.810504912,-1.095073045,-1.194972058,-0.975895274,-1.111926137,-1.064105584,-1.124279577,-1.076242517
11917,<none>,<none> Esi+14.114991,989.6324,14.114991,0.663722625,0.484753924,0.897382838,0.609980305,0.761607164,0.540811659,0.69640698,-0.383154236,-0.294071442,-0.489428446,-0.354859963,-0.448241394,-0.280896232,-0.449083739
11918,C50 H80 Cl N4 O S,C50 H80 Cl N4 O S,817.6069,14.2119875,0.866268089,0.800360341,0.802783285,0.968127846,0.638991055,0.932842175,0.697895483,1.414818409,1.369595901,1.468768066,1.524297499,1.218000159,1.58651352,1.304120245
11919,C34 H52 O6,"3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid Esi+14.445016",556.3737,14.445016,0.371311143,0.487486728,0.191010933,0.495037114,0.242422069,0.297911664,0.308801242,-0.179035986,-0.220587043,-0.129466304,-0.14296238,-0.234608545,-0.050011548,-0.262222794
11920,C15 H28 O5,6-Hydroxypentadecanedioic acid Esi+10.759,310.1744,10.759,2.292216547,2.181635986,2.532631919,2.394068634,2.435550492,2.263483412,2.446076801,2.192336699,2.11370776,2.286139644,2.236738817,2.135439955,2.339379804,2.097532592
11921,C32 H50 N6 O3,C32 H50 N6 O3,566.3933,15.239991,0.281246421,0.590408552,0.078551,0.44331004,0.137122108,0.523261087,0.196929595,0.234501649,0.475384052,-0.052866831,0.332448491,0.082761364,0.368941875,0.147823082
11922,C31 H50 O5,Ganoderiol I Esi+14.717027,502.3638,14.717027,1.431717942,1.498053069,1.242470246,1.596510152,1.255934906,1.440148063,1.407091163,-0.956537527,-1.146126122,-0.73036166,-1.016884928,-0.876399997,-0.947060862,-0.962647482
11923,C25 H30 N4 O5,Trp Val Tyr Esi+9.178983 :1,466.2168,9.178983,0.883269229,0.796061236,1.031759066,0.871405041,0.833001837,0.721898898,1.01682702,-1.713722554,-1.384734895,-2.106199059,-1.818448517,-1.488862877,-1.469788213,-1.87099601
11924,C17 H36 O3,C17 H36 O3 Esi+14.218995,288.2659,14.218995,0.322166576,0.352289739,0.257022415,0.401598263,0.167959589,0.504934848,0.169442243,-0.297893404,-0.311406811,-0.281772148,-0.402287843,-0.156563021,-0.42608244,-0.215245211
11925,C12 H20 O3,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate Esi+7.421998",212.1405,7.421998,1.769540696,1.736332245,1.81391154,1.696042949,1.919943897,1.71867217,1.890802261,1.722599159,1.602593572,1.86576372,1.562637447,1.919587338,1.658374384,1.764007238
11926,C40 H74 Cl2 N P S,C40 H74 Cl2 N P S,701.4693,14.016036,0.487574208,0.437663954,0.435477093,0.406144418,0.50527823,0.293057108,0.523832339,-0.38935903,-0.398357422,-0.378624106,-0.298039974,-0.54044361,-0.298971437,-0.447635242
11927,C56 H96 N O9 S,C56 H96 N O9 S,958.6762,14.8620405,0.171895485,0.339955278,0.121843909,0.280267911,0.036316971,0.211357952,0.104893062,-0.045789831,-0.267269538,0.218431575,-0.124381551,0.033197627,-0.145690442,0.018619774
11928,C33 H67 N O3,Cer(d18:0/15:0) Esi+14.961022,525.5115,14.961022,2.258006619,2.346666071,1.849433472,2.228435197,2.121014264,2.20621381,2.133277997,-2.279787266,-2.485304621,-2.034608666,-2.289005452,-2.25956405,-2.30195589,-2.265494336
11929,C40 H66 O14,"(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside Esi+11.001983",396.206,11.001983,0.543776295,0.916754585,0.173951016,0.923170464,0.140519996,0.996470741,0.249051301,-0.57992278,-0.875385121,-0.227441391,-0.852036998,-0.176621194,-0.980367989,-0.321741001
11930,C30 H40 N6 O3,C30 H40 N6 O3,530.2956,14.589034,0.79316949,1.018656456,0.527711659,0.900331008,0.67990796,1.051847324,0.665123926,0.779777615,0.986779906,0.532827513,0.845070867,0.65378973,0.99317877,0.642190028
11931,C22 H49 N O4 P,C22 H49 N O4 P,422.3425,14.874019,0.502467896,0.600496588,0.331771256,0.341036077,0.622773894,0.39987651,0.500261857,-0.346019164,-0.396670396,-0.285593133,-0.283901453,-0.441314822,-0.34795241,-0.344772729
11932,C13 H24 N4 O6,Ser Val Gln,331.164,6.633988,1.043187428,0.978230597,1.022033561,1.062507849,0.946568838,0.645613963,1.202935176,-0.592712332,-0.570780046,-0.618877165,-0.586944599,-0.591457128,-0.390161152,-0.723304541
11933,C16 H44 N23 P,C16 H44 N23 P,587.4024,13.583007,0.795010635,0.78046616,0.776314443,0.758861417,0.785396055,0.756376897,0.741433171,-0.621327832,-0.657467666,-0.578213643,-0.513308698,-0.784000268,-0.595468992,-0.637999978
11934,C29 H48 O5,"(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one Esi+14.706035",476.3479,14.706035,1.215184064,1.206683734,1.059139891,1.236838887,1.079468901,0.980745737,1.22241649,-0.729664921,-0.830833513,-0.608972567,-0.736392833,-0.718744915,-0.590747978,-0.819229793
11935,C28 H53 N O8 P,"PC(18:2(9Z,12Z)/2:0)[U] Esi+12.545977",562.3508,12.545977,1.73515311,1.781296031,1.605015821,1.677583625,1.721471344,1.808564807,1.627644148,1.660531997,1.754451304,1.548487912,1.652412181,1.654932473,1.786323016,1.579429893
11936,C21 H39 N O7,Sphingofungin E Esi+10.245982,417.2733,10.245982,0.488326094,0.759420657,0.140469114,0.54466564,0.514974035,0.472536732,0.516095676,-0.676708181,-0.989643627,-0.303381684,-0.61519201,-0.780352784,-0.575553712,-0.741926193
11937,C29 H59 N O8 P,PC(9:0/12:0)[U] Esi+10.041014,580.3974,10.041014,0.609332098,0.606736198,0.642214601,0.762678939,0.370701418,1.012347755,0.301380871,-0.586159159,-0.594005448,-0.576798674,-0.687214446,-0.409715805,-0.859454705,-0.409955452
11938,C53 H108 N O12 S,C53 H108 N O12 S,980.7544,15.727025,1.956891269,1.919902106,1.693407729,1.864270269,1.778851805,1.880122478,1.790592656,-1.403356821,-1.497554049,-1.29098118,-1.416756797,-1.380143871,-1.452479781,-1.371685439
11939,C15 H39 N18,C15 H39 N18,470.3568,15.543963,0.320981728,0.18205987,0.521161702,0.372237765,0.326697751,0.240601142,0.424243646,0.243364903,0.173892145,0.326244683,0.246407261,0.231171087,0.19739329,0.273004495
11940,C19 H36 O5,"1,2-Dioctanoyl-sn-glycerol Esi+13.385989",366.2378,13.385989,1.6853204,1.617233376,1.940586302,1.610911249,2.017771045,1.363354598,2.037129207,0.836412787,0.757903585,0.930072887,0.760863337,0.958419395,0.661096056,0.949445942
11941,C16 H32 S,2-N-Dodecyltetrahydrothiophene,256.219,8.72802,0.600876472,0.568551091,0.642386537,0.380283124,0.704962465,0.534431175,0.613834898,-0.451444686,-0.424579416,-0.483494482,-0.425597191,-0.490229449,-0.46285312,-0.444089248
11942,C25 H35 O2,C25 H35 O2,367.254,9.947999,0.844268141,1.002736519,0.638619545,1.105969333,0.503645286,0.818831124,0.82896093,-0.971664041,-1.209380373,-0.688072628,-1.216348754,-0.648056117,-0.957895546,-0.980541097
11943,C20 H32 O3,"5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S Esi+12.758032",320.2341,12.758032,1.002166824,0.828059411,1.10743941,0.743433541,1.211868696,0.959210429,1.045567426,-0.609949592,-0.516394067,-0.721559692,-0.470215422,-0.808708155,-0.60737091,-0.611612163
11944,C36 H66 O12,Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside Esi+13.894025,690.4631,13.894025,0.573637438,0.47866441,0.447392641,0.596115663,0.49804077,0.684484005,0.462836189,-0.324255052,-0.328849746,-0.318773664,-0.329432219,-0.340443137,-0.397631784,-0.27694637
11945,C39 H65 N O6 P S,C39 H65 N O6 P S,706.4234,14.21297,0.632587865,0.489336642,0.711453757,0.643303904,0.501068074,0.587970666,0.564477322,0.668475561,0.57723011,0.777329784,0.705107391,0.596321633,0.672295362,0.666012795
11946,C39 H75 N28,C39 H75 N28,935.6718,14.712969,0.192623962,0.320479528,0.013212764,0.074925208,0.31698862,0.094310018,0.220493416,-0.096789076,-0.266369487,0.105517378,-0.040043445,-0.192428963,-0.071436163,-0.113135034
11947,C15 H27 N5 O7,Glu Lys Asn Esi+5.418999,406.2169,5.418999,0.028431053,0.232115107,0.436111011,0.120937844,0.032804352,0.006976616,0.133590755,-0.077811443,0.101453245,-0.291671072,-0.086822306,-0.037187489,-0.006796938,-0.123597111
11948,C12 H20 O3,"3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate Esi+7.423996",212.1384,7.423996,1.426279876,1.255713459,1.497305198,1.222074341,1.577480319,1.18192704,1.549626803,1.761634398,1.535085115,2.031903718,1.525190036,2.061121256,1.542357549,1.903010261
11949,C53 H95 O13 P,"PI(22:4(7Z,10Z,13Z,16Z)/22:0) Esi+14.300031",970.6442,14.300031,0.456165381,0.426959427,0.372140388,0.542604639,0.233002421,0.402679275,0.402485621,-0.172886042,-0.208670324,-0.130196021,-0.269592513,-0.084605505,-0.17186809,-0.173542354
11950,C42 H71 N5 O3 S2,C42 H71 N5 O3 S2,757.5117,13.930984,0.566961269,0.514208369,0.598129134,0.508985454,0.629759371,0.542423197,0.541664677,-0.275130069,-0.288475183,-0.259209583,-0.18268667,-0.424132469,-0.24007559,-0.297730984
11951,C33 H44 O2,Reticulataxanthin Esi+9.933987,494.3134,9.933987,1.265106531,1.409765724,0.985583264,1.366460701,1.253640027,1.177098144,1.399417017,-1.465686537,-1.708820792,-1.175631636,-1.451932979,-1.508909015,-1.260332358,-1.598085942
11952,C25 H42 N6 O3,C25 H42 N6 O3 Esi+14.116962,472.3192,14.116962,0.642099173,0.753105491,0.421474493,0.48795506,0.642076854,0.460320099,0.660242462,-0.48308858,-0.559401724,-0.392048338,-0.426863284,-0.573528167,-0.344873647,-0.57220084
11953,C34 H62 O9 S2,C34 H62 O9 S2,678.402,13.893006,0.202655979,0.380821446,0.021902668,0.167638695,0.322943083,0.100293482,0.283108665,-0.035299228,-0.127857145,0.075120744,0.015788289,-0.139306501,0.031775169,-0.078544562
11954,C44 H60 N27 O,C44 H60 N27 O Esi+13.906004,982.5485,13.906004,1.856110331,1.907805945,1.77165726,1.905339972,1.881706908,1.973045879,1.834974369,1.756412147,1.750266409,1.763743904,1.79005803,1.690559653,1.757664152,1.755604933
11955,C17 H27 Cl N5 O4,C17 H27 Cl N5 O4,400.1711,8.473014,1.293749217,1.316250475,1.362157647,1.373017846,1.249928795,1.427530735,1.25684503,-0.852020573,-0.928416827,-0.760881184,-0.894812993,-0.769914717,-0.996691846,-0.758745674
11956,C38 H56 O4,Campesteryl ferulate,598.4016,16.599997,2.070153064,2.079332505,1.829940937,1.945554078,2.074029728,2.003181746,1.990838477,-1.00824921,-1.048897849,-0.959756098,-0.976584275,-1.049550757,-0.978722828,-1.027285957
11957,C30 H44 O6,Ganolucidic acid A Esi+15.336989,522.292,15.336989,2.287493303,2.239810406,2.07267131,2.333116341,2.087000882,2.145872143,2.22687196,-1.035637565,-1.057258245,-1.009844474,-1.044541866,-1.021836406,-1.008859775,-1.052902193
11958,C22 H39 N O3,N-cis-octadec-9Z-enoyl-L-Homoserine lactone Esi+14.025001,365.2926,14.025001,2.115437597,1.988490331,2.028701983,1.978038321,2.155084885,2.071781057,2.029697343,-1.235120552,-1.215792946,-1.258178047,-1.195152392,-1.287653015,-1.240145744,-1.231880625
11959,C45 H82 N16 O7 P,C45 H82 N16 O7 P,989.6281,14.118986,1.05287979,1.053556377,1.081350975,1.112080275,1.074872269,1.131624758,1.014005976,-1.351227586,-1.290380148,-1.423817513,-1.230834211,-1.572064574,-1.420940063,-1.306281384
11960,C36 H50 O P,C36 H50 O P,529.3626,14.700996,0.504647975,0.597503652,0.304463617,0.543234033,0.405358933,0.54466879,0.446891707,-0.501527251,-0.582889807,-0.404463149,-0.411640207,-0.599747608,-0.482082338,-0.514064103
11961,C46 H89 N O8,GlcCer(d16:1/24:0),782.656,15.699978,2.724832433,2.865794776,2.67453526,2.870892477,2.823737806,2.920674992,2.745807886,-3.055159207,-3.249090026,-2.823803142,-3.067036542,-3.029401535,-3.055706083,-3.054806615
11962,C14 H28 N5 O2,C14 H28 N5 O2,298.2211,7.771983,1.627851472,1.563709748,1.689439027,1.656980451,1.657010458,1.532055544,1.704872581,-1.351244878,-1.414099359,-1.276260586,-1.359319744,-1.374032612,-1.316593071,-1.373586176
11963,C27 H43 F O2,24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol,435.3559,15.512962,2.099913793,2.191633855,1.941196403,2.126899562,2.134972696,2.23894392,2.042521331,-1.511637043,-1.593967229,-1.413418575,-1.524513073,-1.485409167,-1.557212495,-1.48225287
11964,C46 H76 O16,(25R)-spirost-5en-3beta-ol 3-O-alpha-L-rhamnopyranosyl-(1-2)-[alpha-L-rhamnopyranosyl-(1-4)]-beta-D-glucopyranoside Esi+14.495022,901.544,14.495022,1.697836298,1.824177383,1.533837758,1.61296008,1.806525956,1.706592478,1.698823768,-1.67934923,-1.858903329,-1.465144339,-1.647798681,-1.744015798,-1.535270611,-1.772242023
11965,C29 H28 N22 O14 P,C29 H28 N22 O14 P,939.1886,15.211024,2.348324054,2.271805677,2.085012776,2.304269646,2.142085585,2.245023802,2.184633925,-1.076468084,-1.115038745,-1.030453961,-1.074802579,-1.077800351,-1.088678689,-1.068595457
11966,C28 H48 O3,beta-Tocopheryl quinone,454.3403,16.25399,0.078206009,0.027195767,0.1119947,0.088843678,0.04580867,0.292077942,0.069291605,0.021144747,-0.007363841,0.055154993,0.071077881,-0.040322132,0.103107923,-0.031699932
11967,C31 H53 N18 P,C31 H53 N18 P,708.4427,14.112039,0.440014152,0.588638604,0.201189114,0.5046715,0.297617225,0.391278417,0.490263637,-0.38036455,-0.544451245,-0.184612002,-0.358754416,-0.371814839,-0.315577041,-0.422135445
11968,C22 H39 N O2,Mead Acid Ethanolamide,349.2977,13.762967,1.468894628,1.352676051,1.437570888,1.289168441,1.508349737,1.342270092,1.471751017,-1.455500971,-1.427917202,-1.488407923,-1.330300549,-1.634137444,-1.413592348,-1.482521004
11969,C34 H74 N26 P,C34 H74 N26 P,877.6274,14.252992,0.902752346,1.025893045,0.465722623,0.839427716,0.785476779,0.841237939,0.834137155,-0.482215451,-0.635426896,-0.299436885,-0.475005374,-0.501723698,-0.452407068,-0.501434013
11970,C11 H18 O3,C11 H18 O3 Esi+6.515012,198.1256,6.515012,0.066835641,0.160855913,0.193483287,0.038102113,0.02656884,0.296541598,0.046952352,0.086427363,0.201960786,-0.051401984,0.16958697,-0.040139676,0.328975555,-0.069952393
11971,C32 H46 O2,Ginsenoyne L,479.3809,15.459978,2.359895792,2.563976611,2.22469723,2.383962466,2.545587756,2.574642048,2.374094417,-1.651934919,-1.813201516,-1.459546698,-1.591363072,-1.724699241,-1.661214599,-1.645951967
11972,C28 H40 O3,"(22E,24E,26E)-1?,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norvitamin D3 / (22E,24E,26E)-1?,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norcholecalciferol",424.2969,15.48097,0.79313621,1.153988031,0.235809884,0.755219489,0.681369292,1.004960781,0.659983137,-0.178705639,-0.26998421,-0.069811905,-0.183242516,-0.169945469,-0.217181528,-0.153898816
11973,C15 H26 N6 O7,Gln Gln Gln Esi+7.192007,402.1871,7.192007,1.278204099,1.11987598,1.263859237,1.321850063,1.128105279,1.401492976,1.016778432,-0.557848157,-0.528801319,-0.592500524,-0.577486762,-0.520291804,-0.646710567,-0.500555287
11974,C23 H43 N14 P,C23 H43 N14 P,546.3524,14.400964,0.714896658,0.660757084,0.649213642,0.597591055,0.835182923,0.405492197,0.794004812,-0.451759223,-0.419680086,-0.49002907,-0.378685919,-0.5792903,-0.231203646,-0.593959528
11975,C21 H20 N3,Homidium,314.1675,13.809003,1.331381603,1.305600429,1.335190274,1.385612544,1.276704891,1.151002162,1.408198824,-0.816557539,-0.825107316,-0.806357805,-0.853433472,-0.75744226,-0.819676683,-0.814546511
11976,C42 H81 N O8,GlcCer(d16:1/20:0),726.5927,14.693983,2.66504868,2.725892204,2.53130518,2.719617221,2.674452817,2.758849662,2.616688253,-1.16046987,-1.208109095,-1.10363711,-1.147259678,-1.176103163,-1.156507401,-1.163024619
11977,C26 H42 N21 O3,C26 H42 N21 O3 Esi+12.776986,696.3707,12.776986,1.411225743,1.375056573,1.493103042,1.388928643,1.558064648,1.546868732,1.402966506,2.130159827,1.791960076,2.533626197,2.215677864,1.964685394,2.183433811,2.095812127
11978,C30 H30 N22 O14 P,C30 H30 N22 O14 P,953.2043,15.522968,2.154475043,2.244486392,1.894707261,2.137619371,2.111970001,2.199195361,2.069051003,-0.973251844,-1.05747585,-0.872774082,-0.978054061,-0.963481823,-0.991382781,-0.96156216
11979,C14 H20 O4,QH(2) Esi+7.3909936,252.1361,7.3909936,1.913612829,1.943972613,2.054688177,1.739257523,2.347500014,1.613006411,2.233125025,2.11531871,1.940483812,2.323893675,1.81521402,2.560681634,1.705972,2.379239614
11980,C51 H97 O12 P,PI(P-20:0/22:1(11Z)) Esi+15.251973,949.6884,15.251973,0.789590667,0.736916277,0.752274163,0.651822721,0.773378473,0.62998696,0.783500287,-0.217449306,-0.238463134,-0.192380178,-0.183989201,-0.265758071,-0.175093632,-0.24475757
11981,C26 O29 S,C26 O29 S,807.8253,5.4010005,1.865275768,1.864744146,1.798801489,1.858647763,1.920951906,1.904857266,1.852843175,1.721447358,1.748115323,1.689632943,1.645993519,1.804851324,1.795667561,1.673594858
11982,C17 H21 N5 O5,Gly Asn Trp,375.1647,6.5500035,1.054024267,0.845719188,1.244432438,0.959242891,1.102443572,0.970287325,1.073458624,-1.273289142,-1.013254083,-1.583506405,-1.19637853,-1.407278951,-1.151737437,-1.351658004
11983,C47 H80 O5,"DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) Esi+15.415023",741.629,15.415023,0.339141933,0.42285909,0.156546874,0.359656266,0.251126903,0.276861611,0.369943749,-0.165132354,-0.198899534,-0.124848701,-0.187021315,-0.122633895,-0.132313311,-0.186292
11984,C40 H77 N6,C40 H77 N6,641.6208,14.668975,1.504752613,1.320154197,1.30114571,1.373747769,1.256793809,1.232595116,1.377969601,-0.282197073,-0.281204136,-0.283381628,-0.291881813,-0.268429124,-0.282820875,-0.281794884
11985,C38 H78 N2 O6 P,SM(d18:1/15:0),706.5914,15.704999,2.64142451,2.75005153,2.559288288,2.764857815,2.695030315,2.833213415,2.635171576,-1.902140346,-2.004926882,-1.779517813,-1.883886701,-1.921672011,-1.893163532,-1.907928029
11986,C47 H100 N11,C47 H100 N11 Esi+5.403011 :1,818.8146,5.403011,1.917854533,1.943181894,1.844207896,1.958170273,1.972003388,1.985533725,1.90994337,1.664595384,1.745192064,1.56844496,1.637564704,1.693604435,1.787998518,1.585032838
11987,C27 H31 N5 O4,Trp Val Trp Esi+14.458986,489.2379,14.458986,2.01381158,2.046909128,2.03861993,2.055268713,2.037070304,2.198276663,1.918839492,-0.889317182,-0.883737678,-0.895973432,-0.882376422,-0.891394638,-0.901965942,-0.88116206
11988,C19 H49 N8 O7,C19 H49 N8 O7,501.3659,13.246015,0.235460498,0.044971429,0.63297616,0.221525452,0.390189687,0.086174158,0.328810338,-0.321496226,0.075140415,-0.79467678,-0.176550762,-0.549333238,-0.075880368,-0.479853819
11989,C16 H44 N17 O P,C16 H44 N17 O P,519.3582,10.604989,1.490434958,1.554507779,1.29614907,1.690365787,1.278115468,1.529613913,1.394978631,-1.317723736,-1.398872041,-1.220915233,-1.44778994,-1.186455609,-1.299469832,-1.329492701
11990,<none>,<none> Esi+5.874011,542.8216,5.874011,0.242463951,0.447916033,0.290692383,0.494707046,0.187593036,0.366393788,0.039347704,0.043847177,0.242059851,-0.192617065,0.124812895,-0.071960847,0.141192043,-0.018914644
11991,C27 H41 N O4,17-phenyl trinor PGF2? diethyl amide,443.3045,7.060017,0.286607985,0.39056413,0.104280752,0.16397646,0.371856318,0.509950137,0.063180107,0.211182312,0.35166074,0.043594013,0.21569108,0.203118417,0.511167124,0.017771053
11992,C37 H72 O2 S2,C37 H72 O2 S2 Esi+14.993995,612.4947,14.993995,1.452371141,1.407735701,1.321133053,1.474083132,1.297617957,1.327700035,1.407978816,-1.299567413,-1.374006475,-1.210762918,-1.383791874,-1.220826486,-1.22147246,-1.349918107
11993,C24 H30 O6,Clausarinol Esi+11.781005,414.205,11.781005,0.197503199,0.424414154,0.031563628,0.41565698,0.094322542,0.264816374,0.200640047,0.039292305,0.10527831,-0.039427842,0.095183302,-0.04572217,0.045261883,0.035443498
11994,C24 H32 O12 S,Estriol 3-sulfate 16-glucuronide,543.1551,5.872001,0.242209582,0.401237517,0.144986303,0.418073321,0.015225836,0.307312049,0.117290146,0.081114052,0.248672454,-0.118780181,0.141282847,-0.008493768,0.151477414,0.035748201
11995,C29 H28 N4,Usambarensine Esi+7.258017,432.2324,7.258017,0.188282852,0.11799839,0.613366551,0.134592425,0.308656513,0.179400974,0.42139273,-0.193393987,0.096709199,-0.539481998,-0.114575373,-0.331623459,0.147517341,-0.41319208
11996,C32 H7 N O16 P,C32 H7 N O16 P Esi+11.29002,691.9512,11.29002,0.645719689,0.821970595,0.493668473,0.639261777,0.611266199,0.922504728,0.514066611,0.483360272,0.569304432,0.380830397,0.522629678,0.402450694,0.674322261,0.360240042
11997,C20 H41 N13 O P,C20 H41 N13 O P Esi+14.135008,510.3303,14.135008,1.940687445,1.843487705,1.774033072,1.931035875,1.827166227,1.677733835,1.954655548,-1.684762792,-1.684793681,-1.684725941,-1.669230488,-1.74599245,-1.588499798,-1.746827091
11998,C26 H49 N O7 P,"PC(18:3(6Z,9Z,12Z)/0:0)",517.3229,12.378996,0.208379538,0.077966696,0.34685895,0.089407184,0.316028478,0.062911878,0.234402055,-0.128276752,0.020223346,-0.305434763,0.000364013,-0.329069465,0.02859603,-0.229418414
11999,C29 H49 N O4,C29 H49 N O4,474.2992,12.728021,0.906901131,0.982487807,0.678918229,1.030748359,0.588498682,0.965454386,0.788877108,-0.754536404,-0.86890128,-0.618101112,-0.907401712,-0.524823476,-0.881766433,-0.672506516
12000,C47 H72 O5,"DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",733.5653,14.203002,1.730012791,1.773915654,1.396897493,1.611313822,1.533593926,1.553104904,1.666176746,-1.369763775,-1.40001146,-1.333678819,-1.320725376,-1.43389387,-1.279459743,-1.427986112
12001,C47 H76 O5,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0) Esi+14.790014",737.5979,14.790014,2.143071197,2.147108779,1.783287528,2.027430088,2.044951243,1.920064744,2.077725227,-2.126269118,-2.165328591,-2.079671853,-2.085100987,-2.179347734,-2.012909293,-2.199356374
12002,C36 H58 O8,Momordicoside I Esi+13.321026,618.4155,13.321026,0.091145245,0.12828249,0.077773468,0.281690189,0.148633836,0.104526882,0.049728456,0.031997351,-0.038186303,0.115725219,-0.100291541,0.164986361,0.072724852,0.00573883
12003,C54 H78 N6 O11,C54 H78 N6 O11,986.5736,14.723015,2.387793853,2.311949938,2.238085918,2.3162986,2.370302125,2.330180093,2.324592836,-3.866668382,-3.852494065,-3.883578094,-3.676193022,-4.120208604,-3.751385313,-3.940995624
12004,C32 H52 N4 O4,Demecarium Esi+11.266993,555.3966,11.266993,1.785457096,1.715139902,1.849166715,1.87393505,1.776937671,1.882270559,1.748991374,-2.375085976,-2.244204821,-2.531224897,-2.432326427,-2.273017865,-2.360194046,-2.384687352
12005,C29 H28 N4,Usambarensine Esi+7.25802,432.232,7.25802,0.476639085,0.020226492,0.945850808,0.266277922,0.778013941,0.183642079,0.775175821,-0.712132503,-0.116431314,-1.422793571,-0.411332675,-1.174802482,0.06668232,-1.214263113
12006,C24 H49 N11 O4,C24 H49 N11 O4,555.3958,11.270997,1.336662725,1.402342131,1.229480408,1.183987028,1.461249801,1.283704632,1.39495848,-1.457542609,-1.528867979,-1.372452695,-1.299219626,-1.652714734,-1.369608134,-1.514237206
12007,C30 H42 O4,Pristimerol,466.3035,14.500983,0.687305971,0.422266352,0.855618513,0.530211568,0.767242749,0.237322021,0.853200426,-0.376705719,-0.217391446,-0.566764851,-0.285657274,-0.519607522,-0.127414072,-0.537433228
12008,C29 H24 O6,Dichamanetin Esi+8.473014,468.1596,8.473014,0.173261112,0.01694094,0.383821462,0.078997188,0.433877389,0.394577216,0.536750322,0.170041374,0.081763277,0.275355595,0.041626859,0.393351135,-0.237392823,0.432729212
12009,C16 H26 O5,Tetranor-PGD1 Esi+8.31898,298.1775,8.31898,1.204910113,1.313734743,1.051892165,1.326417256,1.03912389,1.061810991,1.226645739,-0.997227914,-1.1237018,-0.846346788,-1.095585014,-0.845029508,-0.860507206,-1.085376792
12010,C27 H40 N10 O2,C27 H40 N10 O2,536.334,14.135008,2.370377986,2.201100104,2.234931286,2.290661498,2.248147312,2.091818419,2.32889954,-3.264171881,-3.232829486,-3.301562807,-3.147321721,-3.420450047,-3.2344616,-3.283327193
12011,C45 H74 O5,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)",711.5821,14.791013,2.325188027,2.20126521,1.977815002,2.222493484,2.078424072,2.109348586,2.168799486,-1.41015181,-1.413213748,-1.406498971,-1.402448436,-1.420329911,-1.396421171,-1.419004458
12012,C16 H18 N2 O5 S,Penicillin X Esi+13.178983,350.0916,13.178983,1.476594663,1.253428965,1.702572637,1.380946282,1.553702808,1.289338192,1.578211237,-0.8242662,-0.735730884,-0.929887278,-0.786550009,-0.872306954,-0.730070856,-0.884997408
12013,C23 H43 N14 O2 P,C23 H43 N14 O2 P,578.3495,13.806008,1.923890695,1.890221803,1.809533449,1.802741833,1.978392979,1.909042309,1.897770284,-1.554966495,-1.677288198,-1.409038848,-1.455744186,-1.675620186,-1.552104397,-1.556811794
12014,C8 H12 O2,"3,4,4-Trimethyl-1,2-cyclopentanedione Esi+3.9730096",140.0831,3.9730096,0.453066588,0.244548798,0.615278324,0.38289101,0.443201388,0.40219163,0.36369181,-0.384170179,-0.206613734,-0.595991903,-0.392194532,-0.399726853,-0.381005034,-0.386210864
12015,C26 H38 O9,"7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate) Esi+11.017986",493.2466,11.017986,1.674544981,1.496601152,1.796087275,1.345039973,1.964891603,1.744340015,1.563299178,-0.7702902,-0.703012469,-0.850551352,-0.701432094,-0.863623302,-0.763849902,-0.774442497
12016,C45 H74 O5,"DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0) Esi+14.791013",711.5822,14.791013,2.325447352,2.201198736,1.979273945,2.222642881,2.078930297,2.109237643,2.169171721,-1.410450879,-1.413568152,-1.406732027,-1.402668551,-1.420740588,-1.39690187,-1.419186425
12017,C22 H33 N5 O4 S,Lys Trp Met Esi+4.545001,463.229,4.545001,2.181462128,2.346996572,2.076585146,2.300991468,2.315238201,2.307017646,2.300126006,1.957397504,2.183939381,1.687137018,1.909097342,2.002441589,1.863866876,2.017700145
12018,C37 H42 N15 O10,C37 H42 N15 O10,856.3232,6.0319943,1.818756637,1.719644067,1.946191175,1.848505077,1.96332006,1.82381345,1.902236567,1.315530025,1.318298229,1.312227606,1.219018054,1.446761332,1.35714518,1.288699201
12019,C11 H22 N2 O8,Mannopine Esi+7.746991,310.1376,7.746991,0.679051515,0.702606741,0.582396261,0.570006242,0.732811867,0.675946313,0.6373629,-0.409461305,-0.474720197,-0.331608591,-0.431706038,-0.388136003,-0.470644275,-0.37001439
12020,<none>,<none> Esi+5.768995,524.733,5.768995,1.554481343,1.628938692,1.366125724,1.417004064,1.780499881,1.305395398,1.728308003,0.880521002,0.958593822,0.787381499,0.744504178,1.091490109,0.742995171,0.969188973
12021,C34 H43 N7 O12,C34 H43 N7 O12,741.2955,5.9990115,1.168951009,1.027418411,1.089478806,1.01301924,1.181834921,0.908360516,1.169503194,1.421983399,1.400246931,1.447914624,1.293746608,1.587864991,1.324618072,1.484758412
12022,C30 H37 N26 O4 P,C30 H37 N26 O4 P,856.323,6.0319953,1.755669904,1.674597059,1.923857914,1.789689691,1.970517798,1.809500115,1.856622617,1.125652307,1.135999435,1.113308365,1.023379411,1.266219998,1.173860374,1.09457079
12023,C28 H37 N5 O P,C28 H37 N5 O P,490.2721,7.932992,0.862579123,0.631726449,1.133417129,0.586948034,1.127159553,0.736122793,0.867560191,-1.644799391,-1.096485878,-2.298927792,-1.259026502,-2.132270655,-1.393754618,-1.806657205