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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
5-Aminovaleric acid5-Aminopentanoic acidME639709--1.602100.0756
CyclohexanamineCyclohexylamineME639781--5.075100.1126
CholineCholineME639675--5.21104.1073
SerineSerineME639864--8.666106.049
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine-ME639715--9.36110.0718
HistamineHistamineME639803--8.32112.0866
1,4-Cyclohexanedione-ME639721--1.088113.0598
1,3 CyclohexanedioneCyclohexane-1,3-dioneME639719--1.231113.0615
CreatinineCreatinineME639679--4.953114.0661
5-Fluro-2-pyrimidone-ME639742--1.415115.032
5,6-DihydrouracilDihydrouracilME639740--1.729115.0511
ProlineProlineME639855--7.7116.0698
BetaineBetaineME639671--7.233118.086
HomoserineHomoserineME639805--8.377120.0653
ThreonineThreonineME639696--8.263120.0659
2-Amino-1-phenylethanol2-HydroxyphenethylamineME639705--6.88120.0811
NicotinamideNiacinamideME639833--1.694123.0553
TaurineTaurineME639866--7.763126.0213
N-alpha-methylhistamine-ME639829--7.373126.103
N-CyclohexylformamideN-CyclohexylformamideME639831--1.065128.1056
Pyroglutamic acidPyroglutamic acidME639857--8.758130.0501
N-MethylprolineN-Methyl-prolineME639841--7.125130.0858
Pipecolic acidPipecolic acidME639853--7.769130.0867
4-Acetylbutyric acid5-Ketocaproic acidME639732--1.237131.0706
AgmatineAgmatineME639751--8.899131.1287
CreatineCreatineME639678--8.083132.077
IsoleucineIsoleucineME639687--7.214132.1014
N-MethylvalineN-Methyl-valineME639842--7.034132.1019
AsparagineAsparagineME639763--8.74133.0633
6-Hydroxycaproic acid6-Hydroxycaproic acidME639745--1.165133.0866
OrnithineOrnithineME639692--9.592133.0974
Thiazolidine-4-carboxylic acid-ME639871--6.935134.0268
Aspartic acidAspartic acidME639764--9.192134.0447
Benzothiazole-ME639769--1.098136.0219
HypoxanthineHypoxanthineME639712--5.062137.0463
1-Methylnicotinamide1-Methyl nicotinamideME639722--6.248137.0704
4-Aminobenzoic acidp-Aminobenzoic acidME639733--7.404138.055
4-Imidazoleacrylic acidUrocanic acidME639708--1.887139.0583
o-PhosphocolaminePhosphoethanolamineME639845--9.452142.0257
StachydrineStachydrineME639717--7.099144.1025
4-Hydroxyquinoline4-HydroxyquinolineME639736--1.693146.0605
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME639807--1.164146.0611
Quinolone2-HydroxyquinolineME639858--1.361146.0628
4-Guanidinobutyric acid4-Guanidinobutanoic acidME639735--7.624146.0919
(3-Carboxypropyl)trimethylammonium-ME639699--7.818146.1177
N-MethylisoleucineN-MethylisoleucineME639838--6.49146.1188
GlutamineGlutamineME639683--8.593147.0773
LysineLysineME639688--9.546147.113
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME639739--7.764147.1205
Glutamic acidGlutamic acidME639682--8.76148.0611
MethionineMethionineME639819--7.43150.0589
GuanineGuanineME639802--6.517152.0575
AcetaminophenAcetaminophenME639668--1.397152.0714
N-Methylanthranilic acid2-(Methylamino)benzoic acidME639836--1.153152.0726
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME639727--1.348154.0501
5-Aminosalicylic acid-ME639741--3.369154.0528
N-omega-AcetylhistamineN-AcetylglutamineME639843--6.035154.0975
LinaloolLinaloolME639814--1.114155.1423
3-(1-Pyrazolyl)-alanine3-(1-Pyrazolyl)-alanineME639725--7.609156.0768
HistidineHistidineME639685--9.36156.0775
3-Indoleacetonitrile3-IndoleacetonitrileME639729--8.078157.0776
4-Aminomethylcyclohexanecarboxylic acid-ME639734--6.962158.1179
Ala-AlaAla-AlaME639752--8.325161.0929
N-MethyllysineN(6)-MethyllysineME639839--9.212161.1277
CarnitineCarnitineME639673--7.722162.1118
NicotineNicotineME639834--5.305163.1241
Methioninesulfoxide A-ME639689--8.541166.0531
PhenylalaninePhenylalanineME639694--6.88166.0866
Phthalic acidPhthalic acidME639851--1.186167.0337
Geranic acidGeranic acidME639793--1.195169.1219
1-Methyl-L-histidine1-MethylhistidineME639703--8.9170.0925
3-Methylhistidine3-MethylhistidineME639667--9.396170.0926
N-MethylhistidineN-MethylhistidineME639837--9.255170.0927
1,4-Cyclohexanedicarboxylic acid-ME639720--1.511173.0813
Gly-valGly-ValME639801--7.946175.108
ArginineArginineME639670--9.461175.1195
3-Indoleacetic acidIndoleacetic acidME639728--1.333176.0716
CitrullineCitrullineME639676--8.827176.1027
4-Methylumbelliferone4-MethylumbelliferoneME639737--1.026177.0554
CotinineCotinineME639677--1.549177.1029
ConiferylaldehydeConiferyl aldehydeME639778--1.09179.0721
IsoxanthopterinIsoxanthopterinME639810--6.55180.0513
GalactosamineGalactosamineME639790--8.44180.0884
N-Methylphenylalanine-ME639840--6.209180.0948
TyrosineTyrosineME639874--7.715182.0783
4-Pyridoxic acid4-Pyridoxic acidME639738--2.478184.0584
MethyprylonMethyprylonME639822--1.228184.1335
EcgonineEcgonineME639785--7.625186.1135
N8-AcetylspermidineN8-AcetylspermidineME639826--8.827188.1764
Antipyrine-ME639710--1.353189.1017
N-epsilon-AcetyllysineN6-AcetyllysineME639832--8.088189.1235
Glycyl-leucineGly-LeuME639798--7.442189.1244
HomoarginineHomoarginineME639686--9.355189.1347
NE,NE,NE-TRIMETHYLLYSINEN-6-TrimethyllysineME639716--9.225189.1604
Kynurenic acidKynurenic acidME639811--6.241190.0499
Gly-Gly-GlyGly-Gly-GlyME639800--9.213190.0844
3-Indolepropionic acid3-Indolepropionic acidME639730--1.283190.0882
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME639723--9.822191.1024
Phendimetrazine A-ME639849--2.483192.1346
ScopoletinScopoletinME639863--1.252193.0485
CaffeineCaffeineME639672--1.286195.0886
2-(N-Morpholino)ethanesulfonic acid2-(N-Morpholino)ethanesulfonic acidME639704--6.501196.0647
N-AcetylhistidineN-AcetylhistidineME639691--8.128198.0871
HMBA-ME639804--1.198201.1604
Ala-IleAla-IleME639753--7.743203.1385
N,N-DimethylarginineDimethylarginineME639690--8.949203.1515
SpermineSpermineME639865--7.09203.2228
AcetylcarnitineCAR 2:0ME639669--7.185204.1231
TryptophanTryptophanME639698--6.841205.0973
KynurenineKynurenineME639812--6.897209.0888
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME639780--1.365211.1435
TetradecylamineTetradecylamineME639718--1.94214.2523
3-Chlorotyrosine3-ChlorotyrosineME639726--7.07216.0404
PropionylcarnitineCAR 3:0ME639695--6.427218.1414
MeprobamateMeprobamateME639818--1.161219.1334
5-Hydroxytryptophan5-Hydroxy-tryptophanME639743--7.432221.0909
2-Hydroxychalcone2-HydroxychalconeME639724--1.033225.0944
CarnosineCarnosineME639674--9.555227.1145
Proline-hydroxyprolinePro-hydroxyProME639856--8.482229.1182
ErgothioneineErgothioneineME639786--7.821230.0969
Phlorobenzophenone-ME639850--1.231231.0631
Fenfluramine B-ME639789--2.434232.1332
(R)-ButyrylcarnitineCAR 4:0ME639700--5.743232.1537
GlycyltyrosineGly-TyrME639799--8.03239.1071
BenzphetamineBenzphetamineME639770--1.817240.1762
CystineCystineME639782--9.914241.031
AnserineAnserineME639761--9.516241.1302
PinacidilPindacME639852--1.222246.1691
2-Methylbutyryl-L-carnitineCAR 4:0;2MeME639706--5.398246.1704
lenticinLenticinME639713--5.608247.1448
3-HydroxybutyrylcarnitineCAR 4:0;3OHME639707--7.58248.1489
Glu-ThrGlu-ThrME639796--9.02249.109
PenciclovirPenciclovirME639848--6.501254.1182
Atomexetine-ME639766--2.099256.1698
TripelennamineTripelennamineME639873--1.635256.1748
Glycerophosphocholinesn-Glycero-3-phosphocholineME639711--8.631258.1102
alpha-Galactosamine-1-phosphate-ME639755--7.208260.0525
gamma-Glutamylleucinegamma-GlutamylleucineME639791--8.004261.1451
Indarubicin-ME639806--1.134263.0828
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME639693--5.994265.1169
Abscisic acidAbscisic acidME639748--1.384265.1481
8-Oxo-2-deoxyadenosine8-Oxo-2'-deoxyadenosineME639746--5.077268.1052
Modafinil-ME639823--1.113274.086
H-gamma-glutamyl-glutaminegamma-GlutamylglutamineME639684--9.568276.1194
Asp-pheAsp-PheME639765--8.151281.1143
NitrazepamNitrazepamME639835--1.057282.0929
1-Methyladenosine1-MethyladenosineME639665--7.417282.1208
PiperinePiperineME639854--1.091286.1451
OxazepamOxazepamME639846--1.406287.0592
AndrostenedioneAndrostenedioneME639759--1.046287.2018
TestosteroneTestosteroneME639870--1.036289.2174
AndrosteroneAndrosteroneME639760--4.694291.2358
TerbinafineTerbinafineME639869--1.095292.2025
Androstane-3,17-diol3alpha-AndrostanediolME639758--1.023293.2432
AnastrozoleAnastrozoleME639757--1.047294.1746
5'-Methylthioadenosine5'-MethylthioadenosineME639744--2.488298.0987
3'-O-Methylguanosine3'-O-MethylguanosineME639731--5.871298.1146
TemazepamTemazepamME639868--1.098301.075
AdrenosteroneAdrenosteroneME639750--1.023301.1787
Retinoic acidRetinoic acidME639860--1.049301.216
Methyltestosterone17-MethyltestosteroneME639821--0.986303.2283
Abietic acidAbietic acidME639747--1.04303.2333
CetraxateCetraxateME639775--5.091306.1685
CapsaicinCapsaicinME639774--1.025306.2024
Glutathione (reduced)GlutathioneME639795--9.061308.0914
N-Acetylneuraminic acidN-Acetylneuraminic acidME639827--9.178310.1171
Benproperine-ME639768--1.604310.2221
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME639792--8.37311.125
RanitidineRanitidineME639859--5.177315.1492
Clomipramine-ME639777--2.124315.1666
Octadecanedioic acidOctadecanedioic acidME639844--1.188315.2517
Nateglinide-ME639830--1.026318.2076
Famciclovir-ME639788--1.322322.1544
Acetaminophen glucuronidep-AcetamidophenylglucuronideME639749--7.701328.1077
Benzyldimethyltetradecylammonium cation-ME639771--1.64332.3307
N6-IsopentenyladenosineN6-IsopentenyladenosineME639825--1.535336.1675
Lobeline B-ME639816--2.139338.2049
Lobeline A-ME639815--2.038338.2076
Erucamide13Z-DocosenamideME639681--1.057338.3427
Cinanserin-ME639776--2.291341.1694
MaltoseMaltoseME639817--8.773343.1173
2-dGMP-ME639666--9.181348.07
Inosine-5'-monophosphateIMPME639808--9.315349.055
Azasetron-ME639767--4.312350.1194
Binospirone-ME639773--1.511359.1908
CortisoneCortisoneME639779--1.273361.2049
Tridodecylmethylammonium cation-ME639872--1.562368.4256
Parecoxib-ME639847--0.995371.0997
DoxapramDoxapramME639784--1.529379.2342
S-Adenosyl-homocysteineS-AdenosylhomocysteineME639862--8.775385.1293
Naftopidil-ME639828--1.803393.214
Dehydrocholic acidDehydrocholic acidME639783--1.01403.2523
Mosapride-ME639824--1.231422.1685
LinoleoylcarnitineCAR 18:2ME639714--3.656424.3411
IrbesartanIrbesartanME639809--0.992429.245
Latanoprost-ME639813--1.001433.2946
Arachidonyl dopamineN-Arachidonoyl dopamineME639762--1.121440.3216
Taurocholic acidTaurocholic acidME639867--6.092516.3019
BiliverdinBiliverdinME639772--2.112583.2551
RutinRutinME639861--6.5611.1643
Glutathione (oxidized)GlutathioneME639794--10.188613.1599
EthanolamineEthanolamineME639787--7.30962.0602
1,2-Diamino-2-methylpropane-ME639701--7.82572.0814
GlycineGlycineME639797--8.38876.0396
TMAOTrimethylamine N-oxideME639697--5.56376.0762
DMSODimethyl sulfoxideME639680--1.64279.0219
1,5-PentanediamineCadaverineME639702--5.16486.0969
Methylpropionic acidIsobutyric acidME639820--1.71489.0599
AlanineAlanineME639754--8.09590.0553
alpha-Methylene-gamma-butyrolactone-ME639756--1.08499.0442


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
N-MethylalanineN-MethylalanineME640087--8.782102.0563
Malonic acidMalonic acidME640051--4.631103.0042
3-Hydroxybutyric acid3-Hydroxybutyric acidME639906--1.995103.0398
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME639896--2.738103.0404
SerineSerineME640136--8.688104.0351
Glyceric acidGlyceric acidME640013--7.791105.0189
2-Aminophenol2-AminophenolME639890--2.94108.0452
2-Furoic acid2-Furoic acidME639895--2.93111.0087
UracilUracilME640153--2.638111.0198
1,3 CyclohexanedioneCyclohexane-1,3-dioneME639876--1.677111.0447
CreatinineCreatinineME639976--5.062112.0517
Acetylenedicarboxylic acidAcetylenedicarboxylateME639939--7.809112.9858
Parabanic acidParabanic acidME640103--1.516112.9988
ProlineProlineME640121--7.798114.0558
Maleic acidMaleic acidME640048--1.938115.0036
Fumaric acidFumaric acidME639996--1.736115.0038
Ketoisovaleric acidKetoisovaleric acidME640039--3.347115.0396
N-AcetylglycineN-AcetylglycineME640073--7.457116.0353
ValineValineME640159--7.801116.0723
Erythronolactone-ME639986--4.325117.0195
beta-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME639961--1.684117.0555
HomoserineHomoserineME640021--8.4118.051
ThreonineThreonineME640145--8.287118.0512
Benzoic acidBenzoic acidME639959--1.192121.0298
TaurineTaurineME640141--7.824124.0076
4-Hydroxy-6-methyl-2-pyrone-ME639922--1.52125.0232
Dihydro-4,4-dimethyl-2,3-furandione2-DehydropantolactoneME639982--1.513127.0417
N-Acetyl-L-glutamineN-AcetylglutamineME640076--8.615127.0515
Pyroglutamic acidPyroglutamic acidME640127--8.781128.0355
Citraconic acidCitraconic acidME639968--1.888129.0189
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME639913--2.875129.0557
4-Acetylbutyric acid5-Ketocaproic acidME639921--1.443129.0557
4-Methyl-2-oxovaleric AcidKetoleucineME639928--2.786129.0559
N-AcetylalanineN-AcetylalanineME640070--5.278130.051
N-MethylvalineN-Methyl-valineME640090--7.062130.0872
IsoleucineIsoleucineME640033--7.239130.0874
Methylsuccinic acidMethylsuccinic acidME640063--2.975131.0355
Ethylmalonic acidEthylmalonic acidME639988--2.581131.0359
6-Hydroxycaproic acid6-Hydroxycaproic acidME639933--1.479131.0716
Aspartic acidAspartic acidME639954--9.212132.0303
Malic acidMalic acidME640049--9.564133.0143
2-Deoxyribose2-Deoxy-riboseME639893--3.898133.0503
AdenineAdenineME639940--4.885134.0467
Threonic acidThreonic acidME640144--8.119135.03
HypoxanthineHypoxanthineME640024--5.15135.0315
PhosphomycinFosfomycinME640112--7.967137.0065
Salicylic acidSalicylic acidME640134--1.472137.0242
2,5-DihydroxybenzaldehydeGentisate aldehydeME639886--1.4137.0246
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME639923--1.722137.0247
Urocanic acidUrocanic acidME640158--3.864137.0356
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME639934--1.474138.0209
O-PhosphocolaminePhosphoethanolamineME640095--9.415140.0121
2-Hydroxyquinoline2-HydroxyquinolineME639898--1.171144.0458
4-Acetamidobutyric acid4-Acetamidobutanoic acidME639920--2.395144.0666
N-IsobutyrylglycineIsobutyrylglycineME640086--3.66144.0668
2-Methylglutaric acid2-Methylglutaric acidME639899--2.523145.05
Adipic acidAdipic acidME639942--2.317145.051
GlutamineGlutamineME640008--8.615145.0622
LysineLysineME640047--9.564145.0984
Glutamic acidGlutamic acidME640007--8.782146.0461
N-AcetylserineN-AcetylserineME640081--7.809146.0471
Citramalic acidCitramalic acidME639969--9.464147.0296
3-Hydroxyglutaric acid3-Hydroxyglutaric acidME639907--7.788147.03
3-Isochromanone3-IsochromanoneME639912--2.033147.0434
Dihydrocoumarin3,4-Dihydro-2H-1-benzopyran-2-oneME639983--1.472147.045
MethionineMethionineME640057--7.463148.0443
Ribose B-ME640132--4.684149.0467
N-Methylanthranilic acid2-(Methylamino)benzoic acidME640088--1.41150.0555
Acetominophen-ME639938--1.515150.0563
VanillinVanillinME640162--1.197151.0396
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME639908--1.351151.0401
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME639897--1.72151.0406
P-Anisic acid-ME640101--1.507151.0408
XylitolXylitolME640163--6.96151.0599
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME639905--1.514152.0356
3-Phosphonopropionic acid-ME639918--8.648152.9958
2,6-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME639888--1.169153.0196
4-Nitrocatechol4-NitrocatecholME639929--1.327154.015
3-(1-Pyrazolyl)-alanine?3-(1-Pyrazolyl)-alanineME639902--7.643154.0626
HistidineHistidineME640018--9.456154.0626
Orotic acidOrotic acidME640096--7.468155.0103
3-Indoleacetonitrile3-IndoleacetonitrileME639910--1.117155.0684
AllantoinAllantoinME639947--5.813157.037
Pimelic acidPimelic acidME640119--1.939159.0663
3-Methyladipic acid3-Methyladipic acidME639914--2.148159.0672
Ala-AlaAla-AlaME639943--8.357159.0775
N-Methylglutamic acidN-Methyl-glutamic acidME640089--8.458160.0622
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME639904--6.73161.0463
Phenylpyruvic acidPhenylpyruvic acidME640109--1.502163.0398
MethioninesulfoxideMethionine sulfoxideME640058--8.569164.0386
PhenylalaninePhenylalanineME640107--6.899164.0715
Phthalic acidPhthalic acidME640115--1.945165.0196
1,2-Benzenedicarboxylic acidPhthalic acidME639875--2.971165.0199
D-(+)-Ribonic acid .gamma.-lactone-ME639978--8.413165.0404
3-(3-Hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME639903--1.457165.0549
3-Phenyllactic acidPhenyllactic acidME639917--2.065165.0556
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME639889--1.423166.051
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME640111--9.164166.9757
Vanillic acidVanillic acidME640161--1.515167.0351
Homogentisic acidHomogentisic acidME640020--2.971167.0365
4-Hydroxymandelic acid4-Hydroxymandelic acidME639925--5.499167.0377
Geranic acidGeranic acidME640000--1.239167.1081
N-(2-Furoyl)glycine2-FuroylglycineME640066--4.288168.0301
3-Methylhistidine3-MethylhistidineME639915--9.554168.0776
P-Toluenesulfonic acid-ME640126--1.571171.0125
1,4-Cyclohexanedicarboxylic acid-ME639880--2.004171.067
N-AcetylleucineN-AcetylleucineME640075--2.272172.0987
Gly-ValGly-ValME640016--8.125173.0938
ArginineArginineME639952--9.479173.105
3-Indoleacetic acidIndoleacetic acidME639909--1.286174.0567
CitrullineCitrullineME639971--8.852174.0889
Pemoline-ME640104--1.531175.051
N-FormylmethionineN-FormylmethionineME640084--4.379176.0394
6,7-Dihydroxycoumarin-ME639932--1.555177.0198
ConiferylaldehydeConiferyl aldehydeME639973--1.409177.0559
CarbocysteineS-Carboxymethyl-cysteineME639965--8.962178.0187
IsoxanthopterinIsoxanthopterinME640036--6.485178.0353
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME639927--1.209179.0345
Caffeic acidCaffeic acidME639964--1.862179.0348
O-Acetylsalicylic acidAspirinME640091--1.506179.0376
Nicotinoylglycine-ME640085--7.229179.054
Inositol?InositolME640031--7.931179.0559
SorboseSorboseME640138--7.67179.0564
GalactoseGalactoseME639997--7.863179.0566
MannoseMannoseME640055--7.793179.0567
TheophyllineTheophyllineME640143--1.554179.058
TyrosineTyrosineME640152--7.783180.0674
Methyl-4-hydroxy-3-methoxybenzoateMethyl vanillateME640059--1.094181.0491
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME639926--4.184181.0512
Homovanillic acidHomovanillic acidME640022--1.534181.0522
SorbitolSorbitolME640137--7.757181.0719
MannitolMannitolME640054--7.843181.0723
4-Pyridoxic acid4-Pyridoxic acidME639930--2.918182.0462
Methylgallate-ME640062--1.491183.0271
1-Hydroxy-2-naphthoic acid1-Hydroxy-2-naphthoateME639883--1.426187.0404
Azelaic acidAzelaic acidME639957--1.508187.0981
N-epsilon-AcetyllysineN6-AcetyllysineME640083--8.113187.109
Gly-IleGly-IleME640014--7.787187.1113
HomoarginineHomoarginineME640019--9.377187.1203
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME639882--1.375187.1345
Kynurenic acidKynurenic acidME640040--6.288188.0351
3-Indolepropionic acid3-Indolepropionic acidME639911--1.285188.0721
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME639887--9.895189.0868
N-AcetylmethionineN-AcetylmethionineME640078--3.448190.0543
Citric acidCitric acidME639970--9.339191.0201
PhenylacetylglycinePhenylacetylglycineME640106--3.005192.0676
Glucuronic acid B-ME640005--9.197193.0352
Glucuronic acid AGlucuronic acidME640004--9.094193.0358
Ferulic acidtrans-Ferulic acidME639990--1.518193.0546
Methyl-beta-galactopyranoside-ME640061--5.579193.0696
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME639924--5.949194.0461
alpha-Hydroxyhippuric acidalpha-Hydroxyhippuric acidME639948--6.531194.0554
1,3-Dimethylurate1,3-Dimethyluric acidME639878--4.624195.0527
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl...-ME639894--1.512195.103
N-AcetylhistidineN-AcetylhistidineME640074--8.147196.0728
Syringic acidSyringic acidME640139--1.527197.0498
Ala-IleAla-IleME639944--7.789201.1247
N,N-DimethylarginineDimethylarginineME640067--8.968201.1362
1,4-Dihydroxy-2-naphthoic acid1,4-Dihydroxy-2-naphthoic acidME639881--4.66203.0357
TryptophanTryptophanME640151--6.885203.0827
Indolelactic acidIndolelactic acidME640027--2.31204.067
N-AcetylphenylalanineN-AcetylphenylalanineME640080--2.774206.0824
Benzylsuccinic acid(R)-2-Benzylsuccinic acidME639960--2.029207.0662
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME639877--1.896209.0678
AprobarbitalAprobarbitalME639951--1.41209.0998
ButabarbitalButabarbitalME639963--1.393211.1071
Indoxyl sulfateIndoxyl sulfateME640028--1.443212.0031
Pantothenic acidPantothenic acidME640102--3.765218.1038
5-Hydroxytryptophan5-Hydroxy-tryptophanME639931--7.464219.0777
N-AcetylmannosamineN-Acetyl-mannosamineME640077--7.256220.0837
CarnosineCarnosineME639967--9.571225.0998
Ozagrel-ME640098--2.934227.0784
Proline-hydroxyprolinePro-hydroxyProME640122--8.605227.1041
RiluzoleRiluzoleME640133--1.056232.9949
CarboxyibuprofenCarboxyibuprofenME639966--1.509235.0999
Gly-TyrGly-TyrME640015--8.136237.0877
SecobarbitalSecobarbitalME640135--1.301237.1165
CystineCystineME639977--9.926239.0171
AlizarinAlizarinME639946--1.081239.0365
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME639972--1.681239.0932
AnserineAnserineME639950--9.548239.1158
PseudouridinePseudouridineME640125--7.103243.0628
PiceatannolPiceatannolME640116--1.743243.0702
beta-Hydroxymyristic acid3-Hydroxytetradecanoic acidME639962--1.295243.196
Glu-ThrGlu-ThrME640011--9.146247.0937
Malioxamycin-ME640050--9.671247.0939
Thr-GluThr-GluME640146--9.842247.0941
2,4-Dibromophenol2,4-DibromophenolME639885--1.193248.8596
Toradol-ME640148--1.314254.078
LiquiritigeninLiquiritigeninME640045--1.317255.0663
Phenyl-beta-glucopyranosidePhenylglucosideME640108--2.963255.0874
Palmitic acidPalmitic acidME640100--1.084255.2317
2-Thiocytidine-ME639901--5.348258.0558
Glucose-6-phosphateGlucose 6-phosphateME640003--9.93259.0224
Fructose-1-phosphateFructose 1-phosphateME639995--9.579259.0231
Glucose-1-phosphateGlucose 1-phosphateME640002--9.688259.0233
gamma-Glutamylleucinegamma-GlutamylleucineME639998--8.028259.13
PhosphotyrosineO-PhosphotyrosineME640114--9.786260.0265
Indarubicin-ME640026--1.143261.0677
Asp-GluAsp-GluME639955--9.679261.0729
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME640105--6.072263.1046
Abscisic acidAbscisic acidME639936--1.521263.131
Honokiol-ME640023--1.086265.1245
Formononetine-ME639993--1.201267.067
InosineInosineME640029--6.404267.0745
4,5,7-TrihydroxyisoflavoneGenisteinME639919--1.222269.0467
PhloretinPhloretinME640110--1.533273.0808
Glu-GlnGlu-GlnME640006--9.58274.1046
Asp-PheAsp-PheME639956--8.175279.0996
Linoleic acidLinoleic acidME640044--1.266279.2339
3'-O-Methylinosine-ME639916--4.579281.0856
Oleic acidOleic acidME640093--1.079281.2484
N-AcetylcytidineN4-AcetylcytidineME640072--5.271284.0892
OxazepamOxazepamME640097--1.467285.0407
KaempferolKaempferolME640037--1.532285.0413
DiclofenacDiclofenacME639981--1.201294.0102
N2-Methylguanosine2-MethylguanosineME640069--6.574296.1005
2'-O-Methylguanosine2'-O-MethylguanosineME639900--5.929296.1006
Abietic acid?Abietic acidME639935--1.192301.2175
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME640071--8.159303.084
Glutathione (reduced)GlutathioneME640010--9.071306.0768
N-Acetylneuraminic acidN-Acetylneuraminic acidME640079--9.361308.0983
PicrotinPicrotinME640118--1.2309.0985
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME639999--8.376309.1112
MestranolMestranolME640056--1.101309.1827
Eicosenoic acidEicosenoic acidME639985--1.076309.2763
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME640068--5.726310.116
Flubendazole-ME639992--1.073312.0738
RanitidineRanitidineME640130--5.298313.1346
Octadecanedioic acidOctadecanedioic acidME640092--1.313313.2387
Nateglinide-ME640082--1.232316.1881
MyricetinMyricetinME640065--2.971317.0263
Tomelukast-ME640147--1.101317.1692
Zeranol-ME640164--1.217321.1747
Uridine 5'-monophosphateUMPME640154--9.194323.0281
Acetaminophen glucuronidep-AcetamidophenylglucuronideME639937--7.761326.0892
Docosahexanoic acidDHAME639984--1.073327.2319
2'-Deoxyadenosine-5'-monophosphatedAMPME639891--8.698330.0573
PiroxicamPiroxicamME640120--1.042330.059
Lactose B-ME640042--8.916341.1089
Maltose B-ME640052--8.799341.1089
Isomaltose A-ME640034--9.008341.1098
PalatinosePalatinoseME640099--8.499341.1098
LactitolLactitolME640041--9.024343.1268
Formoterol-ME639994--5.243343.1685
Cortodoxone11-DeoxycortisolME639975--1.109345.2115
2'-Deoxyguanosine 5'-monophosphatedGMPME639892--9.221346.0558
Adenosine 5'-monophosphateAMPME639941--9.094346.0565
Inosine-5-monophosphateIMPME640030--9.326347.0407
Torasemide-ME640149--1.511347.1246
Prostaglandin E1PGE1ME640124--1.38353.2332
CortisoneCortisoneME639974--1.523359.1863
Guanosine-5'-monophosphateGMPME640017--9.622362.0507
Dehydroisoandrosterone sulfateDehydroepiandrosterone sulfateME639980--1.51367.158
RiboflavinRiboflavinME640131--6.043375.1289
Artesunate-ME639953--1.222383.1775
Levocetirizine-ME640043--2.946387.1531
Taldalafil-ME640140--1.301388.1247
2-(N-Morpholino)ethanesulfonic acid2-(N-Morpholino)ethanesulfonic acidME639884--6.528389.1065
PiceidPiceidME640117--5.111389.1273
Dehydrocholic acidDehydrocholic acidME639979--1.293401.2346
Ezetimibe-ME639989--1.101408.1437
AltanserinAltanserinME639949--2.622410.1309
LosartanLosartanME640046--1.293421.154
ValsartanValsartanME640160--1.53434.2258
OlmesartanOlmesartanME640094--4.792445.191
Estriol 16.alpha.-(.beta.-D-glucuronide)-ME639987--6.462463.1987
MK-886-ME640064--1.072470.1971
GlimepirideGlimepirideME640001--1.136489.2183
Imatinib-ME640025--5.325492.2434
MaltotrioseMaltotrioseME640053--9.628503.1611
RaffinoseRaffinoseME640129--9.563503.1637
Benidipine-ME639958--1.526504.2057
Taurocholic acidTaurocholic acidME640142--6.199514.2852
TremulacinTremulacinME640150--1.444527.1537
Uridine diphosphate galactoseUridine diphosphategalactoseME640155--10.061565.0489
Uridine diphosphate glucuronic acidUDP-glucuronic acidME640156--10.294579.0266
Irinotecan-ME640032--5.083585.2681
Kaempferol-3-O-rutinosideKaempferol-3-O-rutinosideME640038--6.192593.152
Uridine-5-diphosphoacetylgalactosamineUDP-N-acetylgalactosamineME640157--9.925606.0765
Glutathione (oxidized)GlutathioneME640009--10.182611.1454
Isorhamnetin-3-O-rutinosideIsorhamnetin-3-O-rutinosideME640035--6.14623.1605
Propionic acidPropionic acidME640123--1.50673.0293
MethylacetateMethyl acetateME640060--4.32473.0294
Flavin adenine dinucleotideFADME639991--9.608784.1478
1,4-ButynediolBut-2-yne-1,4-diolME639879--1.88785.0296
Pyruvic acidPyruvic acidME640128--5.47987.009
AlanineAlanineME639945--8.10888.0407
GlyceraldehydeGlyceraldehydeME640012--7.78689.0245
Phosphoric acidPhosphoric acidME640113--9.99396.9599


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