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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE-ME457654--14.956144.1011
1,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE-ME457655--43.5196.0684
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE-ME457656--14.32510.323
1-(3-AMINOPIPERIDINO)ETHANONE-ME457643--5.817143.118
1-(4-BROMO-2-FLUORO-PHENYL)PROPAN-1-ONE-ME457644--19.881125.0206
1-HEXADECANOYL-2-(5-OXOVALEROYL)-SN-GLYCERO-3-PHOS...-ME457645--8.559594.3756
1-HEXADECANOYL-2-DODECANOYL-SN-GLYCERO-3-PHOSPHOCH...-ME457646--5.033678.5063
1-HEXADECYL-2-(5Z,8Z,11Z,14Z,17Z-EICOSAPENTAENOYL)...-ME457647--3.822766.5737
1-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCERO-3-PHOSP...PC O-16:0/18:1ME457648--1.218746.5887
1~{H}-INDOLE-4-CARBALDEHYDE-ME457657--20.968146.0596
1-METHYLADENOSINE1-MethyladenosineME457650--20.383282.1193
1-METHYLHISTAMINE1-MethylhistamineME457651--43.599126.1015
1-METHYL NICOTINAMIDE1-Methyl nicotinamideME457649--8.8137.0702
1-METHYLXANTHINE1-MethylxanthineME457652--5.298110.0341
1-OCTADECANOYL-2-(9E-OCTADECENOYL)-SN-GLYCERO-3-PH...-ME457653--4.743810.6004
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID-ME457658--24.394141.0649
2-(2,2,2-TRIFLUOROETHYLAMINO)ETHANOL-ME457659--14.771114.0296
(2-{[(2R)-2,3-BIS[(11Z)-ICOS-11-ENOYLOXY]PROPYL PH...-ME457578--2.56842.6363
(2-{[(2R)-2,3-BIS[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-...-ME457579--3.798830.5682
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TR...-ME457584--4.907778.5436
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME457583--9.041782.5803
(2-{[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLOXY]PROPYL P...-ME457580--5.162730.55
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL P...-ME457581--3.762808.5839
(2-{[(2R)-2,3-BIS[(9Z)-TETRADEC-9-ENOYLOXY]PROPYL ...-ME457582--11.535674.5309
(2-{[(2R)-2,3-BIS(OCTADECANOYLOXY)PROPYL PHOSPHONA...-ME457576--5.344790.6256
(2-{[(2R)-2,3-BIS(TETRADECANOYLOXY)PROPYL PHOSPHON...-ME457577--6.147678.4696
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...-ME457569--3.81818.6062
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...-ME457566--4.003806.5691
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...-ME457567--3.96792.5898
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...-ME457568--5.355834.601
(2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRA...-ME457570--3.9794.6054
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHO...-ME457563--11.512562.326
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-EN...-ME457565--1.041760.585
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)...-ME457564--5.369706.5563
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]P...-ME457574--13.036508.345
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PRO...-ME457575--12.735522.3544
(2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHO...-ME457571--12.099552.4008
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOS...-ME457572--12.614524.3707
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHO...-ME457573--13.148482.3489
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYP...-ME457590--11.311480.3435
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...-ME457591--4.014834.6022
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHO...-ME457585--12.696510.3559
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA...-ME457589--4.382758.5703
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-EN...-ME457588--3.874782.5697
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(OCTADECANOYLOXY)P...-ME457586--5.536762.5952
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(TETRADECANOYLOXY)...-ME457587--4.813706.5383
2-[(2R)-PYRROLIDIN-1-IUM-2-YL]ACETATE-ME457666--13.125112.8954
2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]ACETI...-ME457668--57.905232.1392
2-(3-CHLOROPHENYL)-3,5,5-TRIMETHYL-MORPHOLIN-2-OL-ME457660--2.186238.0987
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHEN...AtenololME457661--8.029267.1706
2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8...-ME457669--8.826414.2987
2,5-DIAMINOPENTANOIC ACID-ME457683--40.034133.0975
[2-[(5Z,8Z,11Z,14Z,17Z)-EICOSA-5,8,11,14,17-PENTAE...-ME457637--1.038780.5548
2-(ACETYLTHIO)ETHYL-TRIMETHYL-AMMONIUM-ME457662--21.291104.0687
(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE-ME457592--24.13572.0809
2-AMINO-1-PHENYLETHAN-1-ONE2-AminoacetophenoneME457670--20.727136.0751
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID-ME457671--20.791188.0698
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID-ME457672--20.786209.0916
2-AMINO-6-(1-AMINOETHYLIDENEAMINO)HEXANOIC ACID-ME457673--43.289130.0864
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,1...-ME457601--1.157740.5249
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLO...-ME457600--4.701744.5646
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DO...-ME457593--6.991764.5213
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DO...-ME457594--6.867792.5532
(2-AMINOETHOXY)[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,...-ME457595--6.147752.5581
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIE...-ME457597--7.263744.5528
(2-AMINOETHOXY)[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3...-ME457596--6.776768.553
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-E...-ME457599--14.311480.3072
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)...-ME457598--14.224482.3235
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12...-ME457603--7.71716.5216
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-O...-ME457602--7.15740.5212
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXY...-ME457604--14.496454.2911
2-AMINOPENTANEDIOIC ACID-ME457674--39.318148.0593
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOAT...-ME457675--34.074124.086
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOAT...-ME457676--43.305170.0913
2-[(CARBOXYMETHYL)AMINO]ACETIC ACIDIminodiacetateME457667--61.381134.0445
2-(DIMETHYLAMINO)PROPAN-1-OL-ME457663--36.16986.0967
(2E)-3-(1H-INDOL-3-YL)PROP-2-ENOIC ACID-ME457605--8.845170.0603
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIM...-ME457638--12.257550.3852
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACIDIndolelactic acidME457677--7.517188.0701
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...-ME457639--12.326542.3232
2-HYDROXYCINNAMIC ACIDtrans-o-Coumaric acidME457678--26.12165.0543
2-METHOXYPYRAZINE-ME457679--41.538111.055
2-METHYLBUT-3-EN-2-OL-ME457680--20.9569.0699
2-METHYLPYRROLIDINE2-Methyl pyrrolidineME457681--5.23286.0966
2-PIPERIDINONE2-PiperidinoneME457682--1.506100.0755
[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOY...-ME457629--19.012887.5616
[(2R)-3-CETYLOXY-2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11...-ME457631--1.097784.5842
[(2R)-3-CETYLOXY-2-(METHYLCARBAMOYLOXY)PROPYL] 2-(...-ME457630--12.22539.3893
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID-ME457606--30.351189.1227
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-CARBAM...-ME457607--57.122276.1175
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYL...-ME457608--34.771261.1424
[(2S)-2-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENO...-ME457632--3.831810.6004
(2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(5Z,8Z,11Z,14Z)-I...-ME457609--19.098812.5416
(2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(9Z)-OCTADEC-9-EN...-ME457610--19.474790.5578
(2S)-2-AMINO-5-ETHANIMIDAMIDOPENTANOIC ACID-ME457611--44.21174.1224
(2S)-2-AMINO-6-[(4S)-4-AMINO-4-CARBOXYBUTANAMIDO]H...Epsilon-(gamma-Glutamyl)-lysineME457613--60.382276.1539
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID-ME457612--43.108175.143
[(2S)-3-(HEXADECYLTHIO)-2-(1-OXOHEXADECYLAMINO)PRO...-ME457633--4.485735.5714
(2S,3S)-2-AMINO-3-METHYLPENTANOIC ACID-ME457616--20.128132.1012
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[3-[(2S)-5-KET...-ME457617--39.209353.1336
(2S,3S,4S,5R,6S)-6-[[(1S,9R,10S)-17-METHYL-17-AZAT...-ME457618--31.878434.2163
(2S)-4-AMINO-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOY...-ME457614--58.66289.1604
(2S)-6-AMINO-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]H...-ME457615--61.808276.1539
2-(TRIMETHYLAMMONIO)PROPIONATE-ME457664--14.643132.1012
[2-(TRIMETHYLAZANIUMYL)ETHOXY]PHOSPHONIC ACID-ME457636--1.91184.073
2-(TRIMETHYLAZANIUMYL)ETHYL CARBAMATE-ME457665--4.883147.1168
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE-ME457684--8.636247.1442
3-(2-PYRIMIDYL)PROPIONIC ACID-ME457685--43.385153.0655
3-{[(2R)-1-CARBOXY-3-(TRIMETHYLAZANIUMYL)PROPAN-2-...-ME457687--39.504248.1115
3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIO...Decaethylene glycolME457691--1.972459.28
3-AMINOQUINOLINE3-AminoquinolineME457688--20.873145.0809
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM-ME457619--15.46146.1166
3-(DIPHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID-ME457686--1.497294.112
[3-HEXADECOXY-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-T...-ME457640--3.913768.5876
[3-HEXADECOXY-2-[(8Z,11Z,14Z)-ICOSA-8,11,14-TRIENO...-ME457641--4.149770.6024
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...-ME457642--12.632520.3393
3-METHYLADENINE3-MethyladenineME457689--20.349150.0768
3-METHYLINDOLE3-MethylindoleME457690--21.183132.0839
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUM...-ME457621--7.801187.0966
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME457622--21.541248.1486
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME457623--27.081276.1429
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANI...-ME457624--24.717290.1587
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIM...-ME457625--3.392424.3417
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE-ME457620--14.646204.122
(3R)-3-HYDROXY-4-(TRIMETHYLAZANIUMYL)BUTANOATE-ME457626--24.119162.1116
4-(2-AMINO-1-HYDROXYETHYL)PHENOLOctopamineME457692--26.103136.0756
4-AMINOPHENOL4-AminophenolME457693--27.578110.0607
4-AMINOPYRIDINE4-AminopyridineME457694--43.32795.0596
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME457695--25.948123.0436
4-HYDROXYCINNAMIC ACIDcis-p-Coumaric acidME457696--26.033147.0435
4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID-ME457697--1.941136.0388
4-METHYLBENZAMIDE-ME457698--25.906119.0484
4-METHYLPYRIDINE-ME457699--3.3294.065
4-METHYLQUINOLIN-2(1H)-ONE-ME457700--21.192142.0653
5-AMINO-LEVULINIC ACID5-Amino-levulinic acidME457702--61.581114.055
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-...-ME457627--1.415263.2368
5-GLUTAMYL-ALANINEgamma-GlutamylalanineME457703--44.175219.0964
5-GUANIDINO-2-[[3-METHYL-2-(PYROGLUTAMOYLAMINO)PEN...-ME457704--30.031399.2341
[(5S)-5-AMINO-5-CARBOXYPENTYL]TRIMETHYLAZANIUM-ME457634--44.589189.1586
5-(TRIMETHYLAMMONIO)VALERATE-ME457701--11.474160.1327
6-CHLORO-7H-PURINE-ME457705--5.497119.0346
6-METHYLPYRIDIN-3-OL-ME457706--6.384110.0601
7-METHYLGUANINE7-MethylguanineME457707--6.638166.0725
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ...-ME457709--1.425279.2314
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID-ME457708--1.424597.5049
ACETAMINOPHENAcetaminophenME457710--1.362152.0705
ADENINEAdenineME457711--41.74136.0619
ALPHA-N-PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME457712--13.212265.1172
AMPAMPME457713--42.246348.068
ANILINEAnilineME457714--20.75394.0648
ARG GLUArg-GluME457715--59.843304.161
ARG GLYArg-GlyME457716--58.492232.1392
ARGININEArginineME457718--47.163175.1178
ARG PRO PROArg-Pro-ProME457717--39.146369.2227
BETAINEBetaineME457719--14.92118.0857
BETAINE ALDEHYDEBetaine aldehydeME457720--24.481102.0914
BETONICINEBetonicineME457721--20.068160.0959
BRADYKININBradykininME457722--53.907530.7874
BRADYKININ HYDROXYPROLINEBradykinin hydroxyprolineME457723--59.301538.7842
CADAVERINECadaverineME457724--20.9586.0961
CAFFEINECaffeineME457725--1.292195.0876
CAR 10:0CAR 10:0ME457726--4.783316.2473
CAR 10:1CAR 10:1ME457727--4.826314.232
CAR 12:0CAR 12:0ME457728--4.165344.2789
CAR 14:0CAR 14:0ME457729--3.801372.3096
CAR 16:0CAR 16:0ME457730--3.547400.3413
CAR 18:0CAR 18:0ME457731--3.319428.3717
CAR 3:0CAR 3:0ME457732--11.71218.1379
CAR 4:0CAR 4:0ME457733--9.622232.1535
CAR(4:0(3ME))CAR 4:0;3MeME457737--7.573246.1691
CAR 6:0CAR 6:0ME457734--6.566260.1849
CAR 8:0CAR 8:0ME457735--5.39288.2163
CAR 8:1CAR 8:1ME457736--6.26286.2006
CARBAMAZEPINECarbamazepineME457738--1.484237.1025
CER 40:1;2Cer 40:1;O2ME457739--0.969622.6135
CER 42:1;2Cer 42:1;O2ME457740--0.908632.6347
CER 42:2;2Cer 42:2;O2ME457741--0.934648.6299
CHOLESTEROLCholesterolME457742--0.865369.3515
CHOLINECholineME457743--4.829104.1065
CHOLINE PHOSPHATECholine phosphateME457744--12.946184.073
CITRULLINECitrullineME457745--38.379159.0753
CORTISOLCortisolME457746--1.358363.2177
COTININECotinineME457747--1.395177.102
CREATINECreatineME457748--28.976132.0758
CREATININECreatinineME457749--3.961114.0659
CYSTEINECysteineME457750--60.05122.0265
CYTIDINE 5'-DIPHOSPHOCHOLINECDP-cholineME457751--62.236489.1137
CYTOSINECytosineME457752--14.496112.0503
DIHYDROTHYMINEDihydrothymineME457753--29.204115.055
DIMETHYLARGININEDimethylarginineME457754--40.023203.1502
[(E)-3-HYDROXY-2-STEARAMIDO-OCTADEC-4-ENYL] 2-(TRI...-ME457635--10.866731.6045
ECTOINEEctoineME457755--26.126143.0808
EDETIC ACIDEdetic acidME457756--61.531293.0968
ERGOTHIONEINEErgothioneineME457757--27.034230.0947
FOSINOPRILFosinoprilME457758--2.054564.3582
GAMMA-LINOLENYL CARNITINEgamma-Linolenyl carnitineME457759--3.565422.3271
GLUTAMIC ACIDGlutamic acidME457762--39.263130.0489
GLUTAMINEGlutamineME457763--34.556130.0489
GLU THR ARGGlu-Thr-ArgME457760--39.338405.2083
GLU VALGlu-ValME457761--37.428247.1273
GLYCOCHOLIC ACIDGlycocholic acidME457764--15.249430.2948
GLYCOURSODEOXYCHOLIC ACIDGlycoursodeoxycholic acidME457765--8.808432.3101
GM3 D34:1GM3 34:1;O2ME457766--29.1741153.7166
HEX3CER 18:1;2O/16:0Hex3Cer 18:1;O2/16:0ME457767--23.2931024.6752
HEXAETHYLENE GLYCOLHexaethylene glycolME457768--1.782283.1747
HEXCER 33:2;3HexCer 33:2;O3ME457769--2.269700.5709
HIS ALAHis-AlaME457771--41.872227.1124
HIS-GLUHis-GluME457770--52.316285.1184
HIS LEUHis-LeuME457772--30.604269.1593
HISTAMINEHistamineME457773--39.67595.0603
HISTIDINEHistidineME457774--40.006110.0712
HOMOARGININEHomoarginineME457775--45.82189.1336
HYPOXANTHINEHypoxanthineME457776--5.656137.0452
INDOLEIndoleME457777--20.947118.065
KYNURENIC ACIDKynurenic acidME457778--13.374190.0494
KYOTORPHINTyr-ArgME457779--44.803338.1816
LACCER D40:1LacCer 40:1;O2ME457788--28.9751181.7491
L-ARGINYL-L-PHENYLALANINEArg-PheME457780--38.83322.1868
L-ARGINYL-L-PROLINEArg-ProME457781--49.306272.1707
L-CYSTINECystineME457782--59.93241.0294
LEUCINELeucineME457789--19.05132.1018
L-ISOLEUCYL-L-ARGININEIle-ArgME457783--40.95288.2014
L-METHIONINE S-OXIDEMethionine sulfoxideME457784--34.309166.0531
LPC 14:0LPC 14:0ME457790--13.363468.3084
LPC 15:1LPC 15:1ME457791--13.151480.3161
LPC 16:0LPC 16:0ME457792--13.062496.3469
LPC 16:1LPC 16:1ME457793--12.739494.3235
LPC 16:2LPC 16:2ME457794--13.323492.3104
LPC 17:1LPC 17:1ME457795--11.757508.3428
LPC 19:0LPC 19:0ME457796--12.055538.3715
LPC 19:1LPC 19:1ME457797--12.389536.3724
LPC 20:1LPC 20:1ME457798--11.775550.3802
LPC 20:2LPC 20:2ME457799--12.347548.3674
LPC 20:4LPC 20:4ME457800--8.185566.3219
LPC 21:2LPC 21:2*ME457801--14.436562.3487
LPC 22:3LPC 22:3ME457802--12.132574.3603
LPC 22:4LPC 22:4ME457803--12.146572.3702
LPC 22:5LPC 22:5ME457804--12.003570.3533
LPC 22:6LPC 22:6ME457805--12.425568.3388
LPC 30:1LPC 30:1ME457806--10.207690.562
LPC 40:7LPC 40:7*ME457807--5.998818.5903
LPC 42:9LPC 42:9*ME457808--6.082842.5952
LPC O-13:0LPC O-13:0*ME457809--13.966440.2754
LPC O-16:0LPC O-16:0ME457810--13.432482.3489
LPC O-17:1LPC O-17:1ME457811--9.984494.3234
LPC O-17:2LPC O-17:2*ME457812--13.356492.3078
LPC O-18:0LPC O-18:0ME457813--12.99510.3867
LPC O-18:1LPC O-18:1ME457814--13.312508.374
LPC O-18:2LPC O-18:2ME457815--13.344506.3598
LPC O-20:0LPC O-20:0ME457816--12.254538.3874
LPC O-20:1LPC O-20:1ME457817--12.822536.4058
LPC O-22:0LPC O-22:0ME457818--12.26566.454
LPC O-22:2LPC O-22:2ME457819--12.728562.4226
LPC O-24:2LPC O-24:2ME457820--12.37590.4491
L-PHENYLALANYL-L-ARGININEPhe-ArgME457785--38.251322.1861
L-PHENYLALANYL-L-LYSINEPhe-LysME457786--39.342294.1806
L-PROLINAMIDEMethionine (S)-S-oxideME457787--51.281115.0856
LYSINELysineME457821--50.023130.0853
MET-ALAMet-AlaME457822--24.416221.094
METFORMINMetforminME457823--6.29130.1081
METHIONINEMethionineME457824--23.482104.0522
N1-ACETYLSPERMIDINEN1-AcetylspermidineME457831--38.014188.1745
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDEN1-Methyl-2-pyridone-5-carboxamideME457832--1.864153.0655
N1,N12-DIACETYLSPERMINEN1,N12-DiacetylspermineME457833--36.229287.2428
N-(3-HYDROXYPHENYL)ACETAMIDE-ME457825--27.469152.0696
N(6)-METHYLLYSINEN(6)-MethyllysineME457830--44.89161.1274
N8-ACETYLSPERMIDINEN8-AcetylspermidineME457834--38.673188.1745
N-ACETYLARGININEN-AcetylarginineME457826--31.878217.1284
N-ACETYLCARNOSINEN-AcetylcarnosineME457827--34.211269.1233
NIACINAMIDENiacinamideME457835--1.553123.0552
N-METHYL-7H-PURIN-6-AMINE6-MethyladenineME457828--20.314150.077
N-METHYLHYDANTOINN-MethylhydantoinME457829--29.144115.0511
P-ACETAMIDOPHENYLGLUCURONIDEp-AcetamidophenylglucuronideME457836--27.514328.1022
PARAXANTHINEParaxanthineME457837--1.339181.0719
PC 36:4PC 36:4ME457838--2.265804.5536
PC O-28:7PC O-28:7*ME457839--6.583650.4382
PC O-29:1PC O-29:1ME457840--2.174676.546
PC O-30:1PC O-30:1ME457841--6.282690.5616
PC O-31:1PC O-31:1ME457842--14.108704.5768
PC O-31:2PC O-31:2ME457843--7.151702.5591
PC O-32:0PC O-32:0ME457844--13.171720.5713
PC O-32:1PC O-32:1ME457845--6.472718.5927
PC O-32:2PC O-32:2ME457846--4.082716.557
PC O-33:0PC O-33:0ME457847--8.732734.6219
PC O-33:1PC O-33:1ME457848--9.247732.6082
PC O-33:2PC O-33:2ME457849--10.226730.5931
PC O-33:3PC O-33:3ME457850--10.075728.5773
PC O-34:1PC O-34:1ME457851--9.709746.6232
PC O-34:3PC O-34:3ME457852--1.748742.5724
PC O-35:1PC O-35:1ME457853--5.531760.6365
PC O-35:3PC O-35:3ME457854--1.838756.5525
PC O-36:1PC O-36:1ME457855--9.58774.6554
PC O-36:2PC O-36:2ME457856--5.214772.5787
PC O-36:6PC O-36:6ME457857--3.957764.5625
PC O-37:1PC O-37:1ME457858--7.951788.6706
PC O-37:2PC O-37:2ME457859--8.927786.6559
PC O-37:3PC O-37:3ME457860--9.015784.6295
PC O-37:4PC O-37:4ME457861--9.394782.596
PC O-37:6PC O-37:6ME457862--3.758778.5595
PC O-38:1PC O-38:1ME457863--6.419802.6778
PC O-38:2PC O-38:2ME457864--3.974800.6284
PC O-38:3PC O-38:3ME457865--4.215798.6058
PC O-38:7PC O-38:7ME457866--3.847790.5993
PC O-39:1PC O-39:1ME457867--9.655816.7006
PC O-39:2PC O-39:2ME457868--10.255814.6869
PC O-39:3PC O-39:3ME457869--10.2812.6714
PC O-39:4PC O-39:4ME457870--9.85810.6541
PC O-39:5PC O-39:5ME457871--0.967808.5859
PC O-39:8PC O-39:8ME457872--6.338802.5965
PC O-40:0PC O-40:0ME457873--12.108832.6966
PC O-40:1PC O-40:1ME457874--9.83830.7159
PC O-40:2PC O-40:2ME457875--9.546828.7018
PC O-40:3PC O-40:3ME457876--9.511826.6835
PC O-40:4PC O-40:4ME457877--3.767824.6473
PC O-40:5PC O-40:5ME457878--2.251822.6283
PC O-40:6PC O-40:6ME457879--2.978820.619
PC O-40:8PC O-40:8ME457880--3.552816.6002
PC O-41:2PC O-41:2ME457881--9.902842.717
PC O-41:4PC O-41:4ME457882--3.25838.628
PC O-41:5PC O-41:5ME457883--0.993836.6163
PC O-41:7PC O-41:7ME457884--4.456832.5812
PC O-41:8PC O-41:8ME457885--6.358830.558
PC O-42:3PC O-42:3ME457886--3.482854.6547
PC O-42:4PC O-42:4ME457887--3.371852.6791
PC O-42:5PC O-42:5ME457888--4.025850.662
PC O-42:6PC O-42:6ME457889--3.461848.6504
PC O-42:7PC O-42:7ME457890--3.525846.6352
PC O-43:8PC O-43:8*ME457891--3.332858.5996
PC O-43:9PC O-43:9*ME457892--3.949856.6204
PC O-44:5PC O-44:5ME457893--3.828878.6969
PC O-44:8PC O-44:8ME457894--3.638872.652
PE 36:3PE 36:3ME457895--7.625764.5205
PE O-34:3PE O-34:3ME457896--6.665700.5269
PE O-35:3PE O-35:3ME457897--6.884714.5431
PE O-36:4PE O-36:4ME457898--6.78726.5443
PE O-36:5PE O-36:5ME457899--6.229724.5269
PE O-38:6PE O-38:6ME457900--6.242750.5425
PE O-38:7PE O-38:7ME457901--6.358748.5267
PE O-40:7PE O-40:7ME457902--6.221776.5602
PHENYLALANINEPhenylalanineME457903--19.904166.0852
PI 34:1PI 34:1ME457907--19.861859.5306
PI 34:2PI 34:2ME457908--19.891857.514
PI 36:4PI 36:4ME457909--19.448881.514
PI 38:3PI 38:3ME457910--19.482911.5607
PI-CER 39:4;3OIPC 39:4;O3*ME457904--19.455860.5362
PI-CER 41:3;3OIPC 41:3;O3*ME457905--19.47890.5818
PI-CER 41:4;3OIPC 41:4;O3*ME457906--18.449888.5672
PIPECOLIC ACIDPipecolic acidME457911--14.676130.0859
PIPERIDINE-3-CARBOXYLIC ACID-ME457912--49.093130.0888
PIPERINEPiperineME457913--0.954286.1437
PRO-HYDROXYPROPro-hydroxyProME457914--35.485229.1182
PROLINEProlineME457915--23.774116.0697
PROPANE-1,3-DIOLPropane-1,3-diolME457916--13.089114.8929
PYROGLUTAMIC ACIDPyroglutamic acidME457917--13.201130.0498
PYRROLIDINE-1-CARBOXAMIDINE-ME457918--47.402114.102
QUINOLIN-4-OL-ME457919--8.077146.0594
QUINOLIN-5-OL-ME457920--8.616146.0599
S-ADENOSYLHOMOCYSTEINES-AdenosylhomocysteineME457921--39.269385.1277
SER ARGSer-ArgME457922--58.694262.1496
SER ASP LYS PRO-ME457923--46.096488.2352
(S)-HOMOSTACHYDRINE(S)-HomostachydrineME457628--14.177158.1171
SM 30:1;2-ME457924--11.767647.5121
SM 34:1;2SM 34:1;O2ME457925--11.098703.5746
SM 35:0;2-ME457926--4.103719.5783
SM 35:1;2-ME457927--1.193717.5874
SM 35:4;3-ME457928--3.206727.5675
SM 36:0;2SM 36:0;O2ME457929--5.129733.6094
SM 36:2;2SM 36:2;O2ME457930--10.66729.5887
SM 37:0;2-ME457931--4.525747.5902
SM 37:1;2-ME457932--9.787745.6203
SM 37:2;2-ME457933--9.777743.6018
SM 37:4;3-ME457934--4.276755.5445
SM 38:1;2SM 38:1;O2ME457935--5.468759.6334
SM 38:2;2SM 38:2;O2ME457936--5.223757.5838
SM 38:3;2-ME457937--5.09755.5747
SM 39:1;2-ME457938--4.896773.6504
SM 39:2;2-ME457939--1.114771.6107
SM 39:3;2-ME457940--4.107769.593
SM 39:4;2-ME457941--4.387767.5764
SM 39:4;3-ME457942--7.38783.6157
SM 39:7;2-ME457943--3.293761.5878
SM 39:8;2-ME457944--0.977759.5744
SM 39:9;2-ME457945--2.967757.5579
SM 40:1;2SM 40:1;O2ME457946--4.356787.6052
SM 40:2;2SM 40:2;O2ME457947--1.158785.6491
SM 40:3;2-ME457948--5.92783.5906
SM 40:5;2-ME457949--9.782779.6035
SM 40:7;2-ME457950--4.043775.6054
SM 40:8;2-ME457951--4.421773.5907
SM 40:9;2-ME457952--4.482771.5897
SM 41:10;2-ME457954--2.057783.5733
SM 41:1;2-ME457953--1.527801.683
SM 41:2;2-ME457955--1.382799.6665
SM 41:3;2-ME457956--9.976797.6502
SM 41:5;2-ME457957--1.735793.5919
SM 41:8;2-ME457958--1.124787.6065
SM 42:1;2SM 42:1;O2ME457959--1.209815.6956
SM 42:2;2SM 42:2;O2ME457960--9.91813.6722
SM 42:2;3SM 42:2;O3ME457961--9.571829.7108
SM 42:3;2-ME457962--4.611811.6632
SM 42:3;3-ME457963--8.951827.6974
SM 42:4;3-ME457964--9.278825.6756
SM 42:5;3-ME457965--4.176823.6188
SM 42:6;2-ME457966--9.537805.6225
SM 43:0;2-ME457967--12.241831.6918
SM 43:10;2-ME457969--1.002811.6072
SM 43:1;2-ME457968--6.9829.7072
SM 43:2;2-ME457970--1.682827.696
SM 43:3;3-ME457971--9.829841.7119
SM 43:4;2-ME457972--3.78823.6377
SM 43:5;2-ME457973--3.535821.622
SM 43:9;2-ME457974--4.209813.6203
SM 44:3;3-ME457975--3.564855.6608
SM 45:11;2-ME457976--3.71837.6209
SM 45:2;2-ME457977--3.797855.7005
SM 45:3;2-ME457978--3.552853.685
SM 45:5;2-ME457979--3.587849.6542
SM 45:6;2-ME457980--3.638847.6398
SM 47:5;2-ME457981--3.664877.6859
SM 47:6;2-ME457982--3.611875.67
SM 47:7;2-ME457983--3.65873.6559
SM 49:5;2-ME457984--3.366905.718
SM 49:6;2-ME457985--3.422903.7007
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME457986--36.037258.1088
SPBP 18:1;OSPBP 18:1;O*ME457987--23.206380.2544
SUCROSESucroseME457988--31.559365.1041
TAURINETaurineME457989--24.877126.0211
TG 47:0TG 47:0ME457990--103.272810.7523
TG 52:3TG 52:3ME457991--1.183874.7839
TG 52:4TG 52:4ME457992--1.269872.7649
TG 54:4TG 54:4ME457993--103.012900.7965
THEOPHYLLINETheophyllineME457994--1.575181.0718
THREONINEThreonineME457996--34.208102.0546
THR GLUThr-GluME457995--43.101249.1074
TRANS-3-HYDROXYCOTININEtrans-3-HydroxycotinineME457997--1.78193.097
TRIGONELLINETrigonellineME457998--17.849138.0541
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENO...-ME458000--1.144786.6018
TRIMETHYL(2-{[(2R)-2-(OCTADECANOYLOXY)-3-(TETRADEC...-ME457999--1.046734.5702
TRIMETHYL(2-{[(2R)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]-2...-ME458002--1.064772.5924
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(...-ME458003--4.911732.5574
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADEC...-ME458001--5.308734.569
TRIMETHYLAMINETrimethylamineME458004--27.672114.0659
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME458005--5.637151.1441
TRYPTOPHANTryptophanME458006--19.317188.0707
TRYPTOPHANOLTryptophanolME458007--21.156144.0802
TYROSINETyrosineME458008--25.93165.0541
UROCANIC ACIDUrocanic acidME458009--39.68393.0448
VAL GLUVal-GluME458010--37.975247.1282
VALSARTANValsartanME458011--3.151436.2348


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