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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
13-cis-Retinoic acid13-cis-Retinoic acidME542269--1.88301.2159
1,5 isoquinolinediol-ME542267--2.38162.0549
1,7-Dimethyluric acid1,7-Dimethyluric acidME542268--3.59197.0671
1-Methylguanine1-MethylguanineME542270--5.29166.0724
1-Methylhistamine1-MethylhistamineME542271--9.55126.1029
1-Methyl nicotinamide1-Methyl nicotinamideME542272--8.12137.0709
1-Methyluric acid1-Methyluric acidME542273--3.84183.0514
2-Aminoacetophenone2-AminoacetophenoneME542275--6.41136.0757
2-Aminobenzoic acid2-Aminobenzoic acidME542309--2.01138.055
2'-O-Methylguanosine2'-O-MethylguanosineME542279--5.02298.1143
2-Oxindole-3-acetate2-Oxindole-3-acetateME542280--1.97192.0656
3,4-Dimethoxybenzaldehyde-ME542282--1.97167.0703
3-Dehydroxycarnitine3-DehydroxycarnitineME542316--8.72146.1175
3-Methoxytyramine3-MethoxytyramineME542283--6.42168.1019
3-Methyl-1-butylamine3-Methyl-1-butylamineME542284--6.2888.1123
3-Methylxanthine3-MethylxanthineME542285--3.38167.0564
3-(N-Acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME542281--4.96313.0849
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME542286--3.47146.0811
4-Aminohippuric acid4-Aminohippuric acidME542287--2.35195.0767
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME542288--7.23146.0923
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME542289--2.67196.0607
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME542290--2.77144.0478
5-Hydroxyectoine5-HydroxyectoineME542555--8.4159.0764
5-Hydroxylysine5-HydroxylysineME542292--9.38163.1077
5-Hydroxymethyl-4-methyluracil5-Hydroxymethyl-4-methyluracilME542293--3.6157.0608
5-Methylcytidine5-MethylcytidineME542294--5.7258.1085
5-Methylcytosine5-MethylcytosineME542295--6.29126.0665
5'-Methylthioadenosine5'-MethylthioadenosineME542409--4.18298.0962
6,8-Dihydroxypurine6,8-DihydroxypurineME542369--4.29153.0407
7a-hydroxy-4-cholesten-3-one-ME542296--1.99401.3412
7-Methyladenine7-MethyladenineME542527--6.41150.0776
7-Methylguanine7-MethylguanineME542297--5.76166.0724
AcetaminophenAcetaminophenME542299--1.98152.0706
AcetylcholineAcetylcholineME542528--7.72146.1174
AcisogaAcisogaME542301--5.58185.1286
AdenosineAdenosineME542302--5.02268.1039
AgmatineAgmatineME542304--9.08131.1293
Ala-AlaAla-AlaME542596--7.86161.0919
Ala-Arg/Arg-Ala-ME542597--9.48246.1561
Ala-Gly/Gly-Ala-ME542627--8.07147.0763
Ala-HisAla-HisME542598--9.58227.114
Ala-Lys/Lys-Ala-ME542600--9.63218.15
alanineAlanineME542305--7.8490.0552
Ala-Phe/Phe-Ala-ME542601--7.18237.1234
Ala-ProAla-ProME542602--8.35187.1078
Ala-ThrAla-ThrME542603--7.97191.1027
Ala-Trp/Trp-Ala-ME542604--6.65276.1342
Allopurinol ribosideAllopurinol ribosideME542306--3.84269.088
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME542440--4.62265.1181
Aminoisobutyric acidAminoisobutyric acidME542276--7.62104.0708
AnserineAnserineME542308--10.47241.1297
Arachidonoyl-EAArachidonoyl-EAME542574--1.97348.2895
Arg-AsnArg-AsnME542611--9.61289.1617
ArginineArginineME542310--9.16175.119
Arg-LeuArg-LeuME542605--8.85288.2028
Arg-PheArg-PheME542606--8.61322.187
Arg-ProArg-ProME542607--10.01272.1717
Arg-SerArg-SerME542664--9.38262.1509
Arg-ThrArg-ThrME542608--9.38276.1665
Arg-ValArg-ValME542609--9.09274.1873
Asn-AlaAsn-AlaME542610--7.98204.0981
Asn-GluAsn-GluME542612--7.99262.1033
Asn-IleAsn-IleME542613--7.45246.1448
Asn-LysAsn-LysME542647--9.77261.1557
Asn-ThrAsn-ThrME542614--8.36234.1085
Asn-ValAsn-ValME542615--7.78232.1293
Aspartic acidAspartic acidME542391--8.16134.0449
Asp-ProAsp-ProME542616--8.76231.0976
Asp-ThrAsp-ThrME542617--8.18235.0925
AtenololAtenololME542311--6.88267.1702
AzithromycinAzithromycinME542530--8.43749.5119
BetaineBetaineME542312--8.99118.0867
BilirubinBilirubinME542313--1.66585.2701
BiliverdinBiliverdinME542314--1.98583.2547
BiotinBiotinME542315--3.84245.0954
C14 SphingosineC14 SphingosineME542531--5.8244.2271
C16 SphingosineC16 SphingosineME542532--5.82272.2584
C20 SphinganineC20 SphinganineME542533--5.75330.3363
C20 SphingosineC20 SphingosineME542534--5.7328.3206
C22 SphingosineC22 SphingosineME542535--5.66356.3519
CadaverineCadaverineME542317--9.25103.1232
CaffeineCaffeineME542318--2.84195.0879
CapsaicinCapsaicinME542547--1.81306.2062
CAR(10:0)CAR 10:0ME542334--7.07316.2478
CAR(10:0(OH))CAR 10:0;OHME542335--7.47332.2427
CAR(10:1)CAR 10:1ME542333--7.12314.2323
CAR(10:2)CAR 10:2ME542332--7.19312.2166
CAR(12:0)CAR 12:0ME542337--6.88344.2791
CAR(12:0(OH))CAR 12:0;OHME542338--7.35360.274
CAR(12:1)CAR 12:1ME542336--6.91342.2635
CAR(14:0)CAR 14:0ME542341--6.73372.3104
CAR(14:0(OH))CAR 14:0;OHME542342--7.28388.3055
CAR(14:1)CAR 14:1ME542340--6.73370.2947
CAR(14:2)CAR 14:2ME542339--6.78368.2791
CAR(16:0)CAR 16:0ME542343--6.61400.3417
CAR(16:0(OH))CAR 16:0;OHME542344--7.08416.3368
CAR(18:0)CAR 18:0ME542347--6.5428.3735
CAR(18:0(OH))CAR 18:0;OHME542349--6.88444.3682
CAR(18:1)CAR 18:1ME542346--6.53426.3575
CAR(18:1(OH))CAR 18:1;OHME542348--7442.3525
CAR(18:2)CAR 18:2ME542345--6.57424.3419
CAR(2:0)CAR 2:0ME542320--8.62204.1232
CAR(20:0)CAR 20:0ME542351--6.41456.405
CAR(20:4)CAR 20:4ME542350--6.29448.3418
CAR(26:0)CAR 26:0ME542352--6.23540.4992
CAR(3:0)CAR 3:0ME542321--8.28218.1387
CAR(4:0)CAR 4:0ME542322--7.95232.1544
CAR(4:0(OH))CAR 4:0;OHME542325--8.8248.1492
CAR(5:0)CAR 5:0ME542324--7.75246.17
CAR(5:1)CAR 5:1ME542323--7.81244.1543
CAR(6:0)CAR 6:0ME542326--7.5260.1856
CAR(6:0(OH))CAR 6:0;OHME542329--8.15276.1804
CAR(8:0)CAR 8:0ME542330--7.29288.2167
CAR(9:0)CAR 9:0ME542331--7.14302.2323
CAR(DC3:0(2Me))CAR DC3:0;2MeME542327--8.54262.1285
CAR(DC5:0)CAR DC5:0ME542328--8.29276.144
CAR(DC6:0)CAR DC6:0ME542368--8.1290.1596
CarnitineCarnitineME542319--8.79162.1124
Cer(d17:1/20:0)Cer 17:1;O2/20:0ME542362--1.83580.5654
Cer(d18:1/12:0)Cer 18:1;O2/12:0ME542355--1.89482.4568
Cer(d18:1/14:0)Cer 18:1;O2/14:0ME542356--1.87510.4885
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME542358--1.85538.5201
Cer(d18:1/17:0)Cer 18:1;O2/17:0ME542359--1.85552.5355
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME542361--1.84566.5502
Cer(d18:1/18:1)Cer 18:1;O2/18:1ME542360--1.83564.5345
Cer(d18:1/2:0)Cer 18:1;O2/2:0ME542353--1.87342.3004
Cer(d18:1/20:0)Cer 18:1;O2/20:0ME542363--1.82594.5818
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME542364--1.81622.6115
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME542367--1.8650.6426
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME542366--1.8648.6275
Cer(d18:1/4:0)Cer 18:1;O2/4:0ME542354--1.97370.3312
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME542357--1.85536.5044
C-GlycosyltryptophanC-GlycosyltryptophanME542539--7.13367.1499
CholineCholineME542371--8.23104.1072
CitrullineCitrullineME542372--8.39176.103
CotinineCotinineME542373--5.02177.1023
CreatineCreatineME542374--8.32132.0769
CreatinineCreatinineME542375--6.48114.0667
CyclohexylamineCyclohexylamineME542376--6.4100.1123
CyclomethyltryptophanCyclomethyltryptophanME542540--6.43217.0972
CytidineCytidineME542377--5.89244.0927
CytosineCytosineME542378--5.82112.0509
DaidzeinDaidzeinME542541--1.78255.0652
D-alpha-tocopherylquinonealpha-TocoquinoneME542542--1.63447.3833
DeoxyadenosineDeoxyadenosineME542277--5.2252.1091
DeoxycortisolDeoxy-cortisolME542298--1.8347.2213
DeoxycytidineDeoxycytidineME542278--6.01228.0979
deoxyDHCer (d18:0/24:1)-ME542365--1.6634.6482
DeoxyinosineDeoxyinosineME542543--5.03253.0931
DesloratadineDesloratadineME542544--6.56311.1303
DG(34:1)DG 34:1ME542538--1.58617.5122
DG(36:2)DG 36:2ME542536--1.57638.5689
DG(36:3)DG 36:3ME542537--1.57636.5542
DihydrocapsaicinDihydrocapsaicinME542546--1.82308.2218
DihydrocholesterolDihydrocholesterolME542291--1.71371.3667
DihydroxyquinoineDihydroxyquinolineME542274--3.11162.0549
DimethylarginineDimethylarginineME542303--9.76203.1503
DimethylethanolamineDimethylethanolamineME542548--7.8390.0916
DMGVDMGVME542380--7.78202.1186
EctoineEctoineME542381--8.93143.0815
Eicosanoyl-EAEicosanoyl-EAME542575--1.97356.3519
GalactoseGalactoseME542549--5.19203.0527
gamma-Aminobutyric acidgamma-Aminobutyric acidME542382--7.53104.0709
gamma-Tocopherolgamma-TocopherolME542550--1.64416.3636
GenisteinGenisteinME542553--1.75271.06
Gln-Ala/Ala-Gln-ME542619--8.4218.1137
Gln-GlnGln-GlnME542620--8.63275.1351
Gln-IleGln-IleME542621--7.47260.1605
Glu-AlaGlu-AlaME542622--7.75219.0976
GlucosamineGlucosamineME542383--7.58180.0866
Glu-LeuGlu-LeuME542623--7.37261.1444
Glu-LysGlu-LysME542630--9.74276.1552
Glu-ProGlu-ProME542624--8.13245.1133
Glutamic acidGlutamic acidME542384--7.64148.0603
Gly-ArgGly-ArgME542626--9.56232.1405
Gly-AspGly-AspME542633--7.83191.0663
Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME542307--10.51258.1101
glycidyl linoleateGlycidyl linoleateME542551--1.62337.2734
GlycineGlycineME542385--7.9776.0394
GlyciteinGlyciteinME542552--1.75285.0756
Glycocholic acidGlycocholic acidME542554--5.26448.3058
Glycodeoxycholic acidGlycodeoxycholic acidME542386--4.13450.3211
Gly-GlyGly-GlyME542628--8.32133.0609
Gly-HisGly-HisME542634--9.46213.0983
Gly-Ile/Leu-Gly/Ala-Val/Val-Ala-ME542629--7.43189.1234
Gly-ProGly-ProME542632--8.75173.0921
Gly-SerGly-SerME542635--8.16163.0713
Gly-ValGly-ValME542636--7.62175.1078
Guanidoacetic acidGuanidoacetic acidME542387--7.85118.0616
GuanineGuanineME542557--5.42152.0566
GuanosineGuanosineME542388--5.29284.0988
hemin-ME542558--4.71616.1748
Hippuric acidHippuric acidME542389--2.6180.0656
His-AlaHis-AlaME542631--9.35227.1139
His-LeuHis-LeuME542637--8.59269.1608
His-PheHis-PheME542638--8.38303.1452
His-ProHis-ProME542639--9.82253.1295
HistamineHistamineME542390--9.15112.0873
HistidineHistidineME542392--9.38156.0768
His-TrpHis-TrpME542640--8.2342.1557
His-ValHis-ValME542641--8.98255.1451
HomocitrullineHomocitrullineME542394--8.37190.1187
HydroxyprolineHydroxyprolineME542396--7.95132.0657
HypoxanthineHypoxanthineME542556--4.86137.0457
Ile-AlaIle-AlaME542599--7.28203.1392
Ile-IleIle-IleME542645--6.46245.186
Ile-MetIle-MetME542642--6.78263.1425
Ile-ProIle-ProME542643--7.5229.1547
Ile-ThrIle-ThrME542644--7.41233.1496
Imidazoleacetic acidImidazoleacetic acidME542398--8.08127.0505
Imidazolepropionic acidImidazolepropionic acidME542397--7.43141.0657
InosineInosineME542399--4.84269.0879
IsoleucineIsoleucineME542400--7.08132.102
IsoxanthopterinIsoxanthopterinME542401--4.17180.0515
Kynurenic acidKynurenic acidME542402--5.19190.0498
LactoseLactoseME542593--6.55365.105
LauryldiethanolamineN-LauryldiethanolamineME542569--5.84274.274
LenticinLenticinME542587--7.21247.1441
LeucineLeucineME542403--6.95132.102
L-HistidinolL-HistidinolME542393--9142.0975
Linoleoyl-EALinoleoyl-EAME542573--1.98324.2894
LPC(14:0)LPC 14:0ME542474--7.86468.3082
LPC(16:0)LPC 16:0ME542476--7.74496.34
LPC(16:1)LPC 16:1ME542475--7.81494.3244
LPC(17:0)LPC 17:0ME542495--7.67510.3556
LPC(18:0)LPC 18:0ME542480--7.62524.3717
LPC(18:1)LPC 18:1ME542479--7.66522.3559
LPC(18:2)LPC 18:2ME542478--7.72520.3404
LPC(18:3)LPC 18:3ME542477--7.75518.3223
LPC(19:0)LPC 19:0ME542496--7.55538.3878
LPC(20:1)LPC 20:1ME542483--7.55550.3877
LPC(20:2)LPC 20:2ME542497--7.62548.3724
LPC(20:3)_aLPC 20:3ME542481--7.5546.3541
LPC(20:3)_bLPC 20:3ME542482--7.63546.3543
LPC(20:4)LPC 20:4ME542498--7.66544.3391
LPC(22:4)LPC 22:4ME542499--7.54572.3703
LPC(24:0)LPC 24:0ME542500--7.33608.4651
LPC(O-16:0)LPC O-16:0ME542492--7.83482.3605
LPC(O-18:0)LPC O-18:0ME542494--7.73510.3923
LPC(P-16:0)/LPC(O-16:1)_aLPC P-16:0 or LPC O-16:1ME542484--7.56480.3448
LPC(P-16:0)/LPC(O-16:1)_bLPC P-16:0 or LPC O-16:1ME542493--7.82480.345
LPC(P-18:0)/LPC(O-18:1)_aLPC P-18:0 or LPC O-18:1ME542485--7.78508.3766
LPC(P-18:0)/LPC(O-18:1)_bLPC P-18:0 or LPC O-18:1ME542486--7.46508.3765
LPE(14:0)LPE 14:0ME542512--6.39426.2613
LPE(16:0)LPE 16:0ME542506--6.3454.2926
LPE(17:0)LPE 17:0ME542514--6.27468.3084
LPE(18:0)_aLPE 18:0ME542510--6.23482.3243
LPE(18:0)_bLPE 18:0ME542511--7.82482.3246
LPE(18:1)LPE 18:1ME542509--6.26480.3086
LPE(18:2)LPE 18:2ME542508--6.29478.2931
LPE(18:3)LPE 18:3ME542507--6.31476.275
LPE(20:4)LPE 20:4ME542516--6.57502.2914
LPE(P-18:0)/LPE(O-18:1)LPE P-18:0 or LPE O-18:1ME542515--6.12466.3292
Lys-GlnLys-GlnME542648--9.77275.1713
LysineLysineME542404--9.39147.1127
Lys-LeuLys-LeuME542649--8.94260.1969
Lys-ProLys-ProME542650--10.14244.1656
MaltoseMaltoseME542370--6.49343.1228
MethionineMethionineME542405--7.06150.0583
Methionine sulfoxideMethionine sulfoxideME542406--8.69166.0533
MethylguanidineMethylguanidineME542407--6.7874.0714
Methylimidazoleacetic acidMethylimidazoleacetic acidME542408--8.86141.0658
Met-LeuMet-LeuME542652--6.54263.1424
MetronidazoleMetronidazoleME542559--2.75172.0717
Metronidazole-OHMetronidazole-OHME542560--2.64188.0667
Met-ValMet-ValME542653--6.93249.1269
MonoethylglycinexylidideMonoethylglycinexylidideME542430--6.66207.1493
Myristoleic acidMyristoleic acidME542410--1.71227.2006
N1-AcetylspermidineN1-AcetylspermidineME542411--9.74188.1759
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME542412--4.32153.0658
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME542379--10.24287.244
N6-AcetyllysineN6-AcetyllysineME542416--8.37189.1234
N(6)-MethyllysineN(6)-MethyllysineME542413--9.68161.1285
N(6),N(6)-Dimethyl-lysineN(6),N(6)-Dimethyl-lysineME542414--10.25175.1442
N-6-TrimethyllysineN-6-TrimethyllysineME542415--11.22189.1599
N-AcetylalanineN-AcetylalanineME542417--3.84132.0657
N-AcetylarginineN-AcetylarginineME542427--8.16217.1295
N-Acetylaspartic acidN-Acetylaspartic acidME542418--4.32176.0554
N-AcetylcadaverineN-AcetylcadaverineME542562--7.73145.1334
N-AcetylcysteineN-AcetylcysteineME542529--4.02164.0376
N-Acetyl-D-galactosamineN-AcetylgalactosamineME542300--5.39222.0972
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME542426--2.89247.1077
N-Acetylglutamic acidN-Acetylglutamic acidME542563--4.46190.0711
N-AcetylglutamineN-AcetylglutamineME542419--7.01189.087
N-AcetylhistamineN-AcetylhistamineME542564--7.69154.0973
N-AcetylhistidineN-AcetylhistidineME542420--8.48198.0872
N-AcetylleucineN-AcetylleucineME542421--2.77174.1126
N-AcetylmethionineN-AcetylmethionineME542422--3.47192.069
N-AcetylornithineN-AcetylornithineME542423--8.51175.1078
N-AcetylphenylalanineN-AcetylphenylalanineME542424--3.18208.0969
N-AcetylputrescineN-AcetylputrescineME542425--7.88131.118
N-AcetylserotoninN-AcetylserotoninME542565--2.56219.1128
N-AcetylvalineN-AcetylvalineME542566--3.38160.0968
NeopterinNeopterinME542429--5.74254.0881
NiacinamideNiacinamideME542431--3.77123.0558
Nicotinic acidNicotinic acidME542567--3.68124.0397
N-LauroylglycineN-LauroylglycineME542432--2.38258.2064
N-Methyl-prolineN-Methyl-prolineME542433--8.6130.0864
N-myristoyl-glycineN-MyristoylglycineME542591--2.32286.2376
N,N-DicyclohexylamineN,N-DicyclohexylamineME542545--5.91182.1905
N,N-dimethylhexadecylamineN,N-DimethylhexadecylamineME542561--5.59270.3155
N-Oleoyl glycineN-Oleoyl glycineME542436--2.26340.2842
Nor-psi-tropineNor-psi-tropineME542435--7.71128.1072
O-ethyl-homoserineO-EthylhomoserineME542577--7.38148.0967
OleamideOleamideME542589--1.92282.279
Oleoyl-EAOleoyl-EAME542570--1.98326.305
OrnithineOrnithineME542437--9.27133.0973
Palmitoleoyl-EAPalmitoleoyl-EAME542571--1.98298.2738
Palmitoyl-EAPalmitoyl-EAME542572--1.98300.2895
Pantothenic acidPantothenic acidME542438--3.13220.118
PantothenolPantothenolME542439--3.87206.1388
PC(30:0)PC 30:0ME542487--6.68706.5357
PC(31:0)PC 31:0ME542491--6.64720.5519
PC(32:0)PC 32:0ME542501--6.62734.5675
PC(34:1)PC 34:1ME542504--6.58760.5812
PC(34:3)PC 34:3ME542488--6.62756.5483
PC(36:2)PC 36:2ME542489--6.54786.5973
PC(P-32:0)/PC(O-32:1)PC P-32:0 or PC O-32:1ME542502--6.57718.5723
PC(P-34:0)/PC(O-34:1)PC P-34:0 or PC O-34:1ME542503--6.6746.6035
PC(P-34:2)/PC(O-34:3)_aPC P-34:2 or PC O-34:3ME542490--6.51742.573
PC(P-34:2)/PC(O-34:3)_bPC P-34:2 or PC O-34:3ME542505--6.61742.5701
Petasinine-ME542585--6.31240.1594
Phe-GlyPhe-GlyME542654--7.28223.1078
Phe-LeuPhe-LeuME542655--6.23279.1701
PhenylacetylglycinePhenylacetylglycineME542584--2.77194.0814
PhenylalaninePhenylalanineME542441--6.7166.0862
phenylalanine-d8 [iSTD]-ME542265--6.74174.1365
Phe-ThrPhe-ThrME542656--7.21267.1338
Phe-TyrPhe-TyrME542657--6.27329.1493
PhytosphingosinePhytosphingosineME542525--5.87318.2999
Pipecolic acidPipecolic acidME542442--7.99130.0865
PiperinePiperineME542443--1.94286.1436
Pro-AspPro-AspME542658--8.02231.0976
Pro-GlnPro-GlnME542659--8.69244.1293
Pro-GlyPro-GlyME542660--8.46173.0922
ProlineProlineME542444--8.13116.071
Proline betaineProline betaineME542445--9.23144.1019
Pro-MetPro-MetME542661--7.62247.1111
Pro-ProPro-ProME542662--8.84213.1234
protoporphyrin IXProtoporphyrinME542594--1.78563.2646
PseudouridinePseudouridineME542446--4.27245.0768
PterinPterinME542447--4.77164.0566
PutrescinePutrescineME542448--9.389.1075
PyridoxaminePyridoxamineME542580--9.05169.0971
Pyroglutamic acidPyroglutamic acidME542449--6.66130.05
RanitidineRanitidineME542592--7.37315.1482
RetinolRetinolME542588--1.55269.2263
RibothymidineRibothymidineME542450--3.18259.0924
(R)-Salsolinol(R)-SalsolinolME542452--6.78180.102
S-AdenosylmethionineS-AdenosylmethionineME542451--10.36399.1439
Ser-IleSer-IleME542665--7.39219.134
SerineSerineME542454--7.72106.0502
Ser-LysSer-LysME542651--9.52234.1448
SerotoninSerotoninME542455--6.44177.1023
Ser-ProSer-ProME542663--8.39203.1027
Ser-SerSer-SerME542666--8.06193.0821
Ser-ThrSer-ThrME542667--7.95207.0977
Ser-ValSer-ValME542668--7.47205.1184
SM(d17:1/16:0)SM 17:1;O2/16:0ME542513--7.22689.5565
SM(d18:1/14:0)SM 18:1;O2/14:0ME542517--7.25675.5406
SM(d18:1/16:0)SM 18:1;O2/16:0ME542519--7.18703.5723
SM(d18:1/16:1)SM 18:1;O2/16:1ME542518--7.21701.5571
SM(d18:1/18:0)SM 18:1;O2/18:0ME542520--7.11731.6042
SM(d18:1/18:2)SM 18:1;O2/18:2ME542521--7.12727.5696
SM(d18:1/20:0)SM 18:1;O2/20:0ME542522--7.04759.6335
SM(d18:1/22:0)SM 18:1;O2/22:0ME542523--6.98787.6653
S-Methylcysteine S-oxideS-Methylcysteine S-oxideME542456--8.52152.0385
SolanidineSolanidineME542457--5.84398.3413
SphinganineSphinganineME542526--5.78302.3049
SphingosineSphingosineME542524--5.75300.2894
StearamideStearamideME542590--1.93284.2946
stercobilinL-UrobilinME542468--6.49595.3484
Symmetric dimethyl-arginineSymmetric dimethylarginineME542453--9.66203.1503
TarginineTarginineME542434--9.36189.1347
TaurineTaurineME542458--6.12126.0223
TetradecylamineTetradecylamineME542583--5.82214.253
ThiamineThiamineME542459--9.58265.1117
Thr-AspThr-AspME542618--7.74235.0925
ThreonineThreonineME542576--7.35120.066
Thr-GlnThr-GlnME542669--8.26248.1241
Thr-GlyThr-GlyME542670--8.04177.087
Thr-IleThr-IleME542671--7.18233.1496
Thr-ProThr-ProME542672--8.15217.1184
Thr-ThrThr-ThrME542673--7.84221.1132
ThymidineThymidineME542460--2.93243.0977
trans-3-Hydroxycotininetrans-3-HydroxycotinineME542395--4.98193.0972
Triacetonamine-ME542578--6.39156.1383
TributylamineTributylamineME542581--5.74186.2217
TriethanolamineTriethanolamineME542568--7.68150.1125
TrigonellineTrigonellineME542461--8.89138.0549
Triisopropanolamine-ME542582--6.98192.1596
Trimethylamine N-oxideTrimethylamine N-oxideME542462--8.0676.0758
TrimethylbenzeneTrimethylbenzeneME542463--1.63121.1017
Trp-LeuTrp-LeuME542674--6.13318.1809
Trp-ProTrp-ProME542675--7.09302.1497
TryptamineTryptamineME542579--6.1161.1073
TryptophanTryptophanME542464--6.49205.0971
TyramineTyramineME542465--6.28138.0913
Tyr-LeuTyr-LeuME542676--6.31295.1649
TyrosineTyrosineME542466--6.8182.0812
Tyr-ProTyr-ProME542677--7.35279.1337
Tyr-TyrTyr-TyrME542678--6.35345.1442
Tyr-ValTyr-ValME542679--6.59281.1494
Ureidopropionic acidUreidopropionic acidME542428--4.06133.0608
Uric acidUric acidME542467--4.29169.0356
UrobilinogenD-UrobilinogenME542595--1.97593.3331
Urocanic acidUrocanic acidME542469--4.55139.05
Val-AsnVal-AsnME542680--7.99232.1292
Val-AspVal-AspME542681--7.43233.1132
Val-GluVal-GluME542625--7.45247.1288
Val-IleVal-IleME542646--6.82231.1703
ValineValineME542470--7.37118.0866
valine-d8 [iSTD]-ME542266--7.44126.1368
Val-MetVal-MetME542682--7.1249.1268
Val-ProVal-ProME542683--7.76215.1391
Val-TrpVal-TrpME542684--6.36304.1654
WarfarinWarfarinME542471--1.72309.1119
XanthineXanthineME542472--3.76153.0406
XanthopterinXanthopterinME542586--4.77180.0516
XanthosineXanthosineME542473--4.28285.0835


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
7-dehydro-desmosterol7-Dehydro-desmosterolME542744--6.83383.3307
campesterolCampesterolME542746--7.53401.3776
CE(14:0)CE 14:0ME542764--11.72619.5427
CE(16:0)CE 16:0ME542765--12.11647.5739
CE(16:1)CE 16:1ME542766--11.81645.558
CE(18:0)CE 18:0ME542767--12.54675.6052
CE(18:1)CE 18:1ME542768--12.2673.5892
CE(18:2)CE 18:2ME542769--11.9671.5733
CE(18:3)CE 18:3ME542770--11.64669.5582
CE(20:3)CE 20:3ME542771--12697.5892
CE(20:4)CE 20:4ME542772--11.76695.5735
CE(20:5)CE 20:5ME542773--11.51693.5582
CE(22:4)CE 22:4ME542774--12.09723.6049
CE(22:5)CE 22:5ME542775--11.84721.5892
CE(22:6)CE 22:6ME542776--11.63719.5738
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME542751--8.48538.5195
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME542752--9.83622.6134
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME542754--10.23650.6446
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME542753--9.88648.6289
cholesterolCholesterolME542745--7.53369.3514
coenzyme Q10Coenzyme Q10ME542750--11.19885.6738
coenzyme Q9Coenzyme Q9ME542749--10.56817.6111
DG(30:0)DG 30:0ME542777--8.85563.4647
DG(32:0)DG 32:0ME542778--9.3591.4957
DG(32:1)DG 32:1ME542779--8.99589.4806
DG(32:2)DG 32:2ME542780--8.67587.4649
DG(34:0)DG 34:0ME542781--9.73619.5273
DG(34:1)DG 34:1ME542782--9.42617.5116
DG(34:2)DG 34:2ME542783--9.13615.4958
DG(34:3)DG 34:3ME542784--8.82613.4803
DG(36:0)DG 36:0ME542785--10.12647.5586
DG(36:1)DG 36:1ME542786--9.84645.543
DG(36:2)DG 36:2ME542787--9.54643.5265
DG(36:3)DG 36:3ME542788--9.27641.5113
DG(36:4)DG 36:4ME542789--8.96639.4959
DG(38:4)DG 38:4ME542790--9.4667.5271
DG(38:5)DG 38:5ME542791--9.22665.5116
linoleoyl-EALinoleoyl-EAME542742--4.94324.2895
LPC(14:0)LPC 14:0ME542686--4.43468.3083
LPC(16:0)LPC 16:0ME542688--4.94496.3398
LPC(16:1)LPC 16:1ME542687--4.58494.3252
LPC(18:0)LPC 18:0ME542691--5.53524.3712
LPC(18:1)LPC 18:1ME542690--5.12522.3555
LPC(18:2)LPC 18:2ME542689--4.77520.3397
LPC(20:0)LPC 20:0ME542697--6.18552.4024
LPC(20:1)LPC 20:1ME542696--5.68550.3865
LPC(20:2)LPC 20:2ME542695--5.29548.3712
LPC(20:3)_aLPC 20:3ME542693--4.99546.3552
LPC(20:3)_bLPC 20:3ME542694--5546.3554
LPC(20:5)LPC 20:5ME542692--4.77542.3214
LPC(24:0)LPC 24:0ME542698--7.51608.4647
LPC(P-16:0)/LPC(O-16:1)LPC P-16:0 or LPC O-16:1ME542699--5.26480.3449
LPC(P-18:0)/LPC(O-18:1)LPC P-18:0 or LPC O-18:1ME542700--5.89508.3756
LPE(16:0)LPE 16:0ME542702--4.96454.2927
LPE(16:1)LPE 16:1ME542701--4.59452.277
LPE(18:0)LPE 18:0ME542706--5.55482.3241
LPE(18:1)LPE 18:1ME542705--5.13480.3085
LPE(18:2)_aLPE 18:2ME542703--4.79478.2928
LPE(18:2)_bLPE 18:2ME542704--4.8478.2928
LPE(20:0)_aLPE 20:0ME542708--5.23510.3556
LPE(20:0)_bLPE 20:0ME542709--5.25510.3554
LPE(20:1)LPE 20:1ME542707--5.7508.3396
LPE(22:0)LPE 22:0ME542710--5.85538.3869
MG(16:1)MG 16:1ME542792--5.03339.2504
MG(18:0)MG 18:0ME542793--5.97381.2973
MG(22:1)MG 22:1ME542794--7.11435.3443
oleoyl-EAOleoyl-EAME542743--6.1326.3053
palmitoyl-EAPalmitoyl-EAME542741--5.11300.2895
PC(12:0/12:0)PC 12:0/12:0ME542685--6.65622.4442
PC(30:0)PC 30:0ME542711--8.31706.5383
PC(32:0)PC 32:0ME542713--8.78734.5696
PC(32:1)PC 32:1ME542712--8.5732.5538
PC(34:0)PC 34:0ME542717--9.22762.6001
PC(34:1)PC 34:1ME542716--8.9760.5849
PC(34:2)PC 34:2ME542715--8.61758.5687
PC(34:3)PC 34:3ME542714--8.32756.5534
PC(36:0)PC 36:0ME542723--9.63790.631
PC(36:1)PC 36:1ME542722--9.35788.6161
PC(36:2)PC 36:2ME542721--9.07786.6011
PC(36:3)PC 36:3ME542720--8.77784.5851
PC(36:4)_APC 36:4ME542718--8.43782.5694
PC(36:4)_BPC 36:4ME542719--8.64782.5688
PC(38:2)PC 38:2ME542727--9.5814.6327
PC(38:3)PC 38:3ME542726--9.23812.6171
PC(38:4)PC 38:4ME542725--9.09810.5993
PC(38:6)PC 38:6ME542724--8.57806.5694
PC(P-34:0)/PC(O-34:1)PC P-34:0 or PC O-34:1ME542729--9.21746.6056
PC(P-34:1)/PC(O-34:2)PC P-34:1 or PC O-34:2ME542728--9.21744.5891
PC(P-36:0)/PC(O-36:1)PC P-36:0 or PC O-36:1ME542733--9.64774.6364
PC(P-36:1)/PC(O-36:2)PC P-36:1 or PC O-36:2ME542732--9.3772.6208
PC(P-36:3)/PC(O-36:4)PC P-36:3 or PC O-36:4ME542731--9.18768.5895
PC(P-36:4)/PC(O-36:5)PC P-36:4 or PC O-36:5ME542730--8.54766.5808
PC(P-38:3)/PC(O-38:4)PC P-38:3 or PC O-38:4ME542735--9.17796.6259
PC(P-38:5)/PC(O-38:6)PC P-38:5 or PC O-38:6ME542734--8.84792.5956
PE(34:0)PE 34:0ME542736--8.54720.5543
PE(36:0)PE 36:0ME542737--9748.5857
PE(38:2)PE 38:2ME542738--8.84772.5851
piperinePiperineME542748--3.75286.1437
PS(36:3)PS 36:3ME542739--7.99786.5308
sitosterolSitosterolME542747--7.78397.3826
SM(d18:1/14:0)SM 18:1;O2/14:0ME542755--7.83675.5434
SM(d18:1/16:0)SM 18:1;O2/16:0ME542757--8.35703.5745
SM(d18:1/16:1)SM 18:1;O2/16:1ME542756--7.99701.5577
SM(d18:1/18:0)SM 18:1;O2/18:0ME542758--8.84731.6061
SM(d18:1/20:0)SM 18:1;O2/20:0ME542759--9.29759.6372
SM(d18:1/22:0)SM 18:1;O2/22:0ME542761--9.72787.6688
SM(d18:1/22:1)SM 18:1;O2/22:1ME542760--9.45785.6535
SM(d18:1/24:0)SM 18:1;O2/24:0ME542763--10.13815.7004
SM(d18:1/24:1)SM 18:1;O2/24:1ME542762--9.77813.6845
sphingosineSphingosineME542740--4.37300.2895
TG(42:0)TG 42:0ME542795--11.03745.6318
TG(43:0)TG 43:0ME542796--11.2759.6481
TG(44:0)TG 44:0ME542797--11.37773.6632
TG(44:1)TG 44:1ME542798--11.14771.6472
TG(44:2)TG 44:2ME542799--10.88769.6321
TG(45:0)TG 45:0ME542800--11.51787.6782
TG(45:1)TG 45:1ME542801--11.3785.6634
TG(45:2)TG 45:2ME542802--11.12783.6472
TG(46:0)TG 46:0ME542803--11.67801.6943
TG(46:1)TG 46:1ME542804--11.45799.6787
TG(46:2)TG 46:2ME542805--11.22797.6634
TG(46:3)TG 46:3ME542806--10.99795.6476
TG(47:0)TG 47:0ME542807--11.82815.7095
TG(47:1)TG 47:1ME542808--11.6813.6944
TG(47:2)TG 47:2ME542809--11.43811.6783
TG(48:0)TG 48:0ME542810--11.98829.7255
TG(48:1)TG 48:1ME542811--11.76827.7096
TG(48:2)TG 48:2ME542812--11.54825.6945
TG(48:3)TG 48:3ME542813--11.31823.6787
TG(48:4)TG 48:4ME542814--11.07821.6631
TG(48:5)TG 48:5ME542815--10.83819.6458
TG(49:0)TG 49:0ME542816--12.14843.7414
TG(49:1)TG 49:1ME542817--11.89841.7255
TG(49:2)TG 49:2ME542818--11.67839.7107
TG(49:3)TG 49:3ME542819--11.46837.6942
TG(50:0)TG 50:0ME542820--12.33857.7567
TG(50:1)TG 50:1ME542821--12.07855.741
TG(50:2)TG 50:2ME542822--11.84853.7256
TG(50:3)TG 50:3ME542823--11.61851.7094
TG(50:4)TG 50:4ME542824--11.39849.695
TG(50:5)TG 50:5ME542825--11.28847.6801
TG(50:6)TG 50:6ME542826--11.1845.6633
TG(51:0)TG 51:0ME542827--12.49871.7728
TG(51:1)TG 51:1ME542828--12.24869.7576
TG(51:2)TG 51:2ME542829--11.99867.7412
TG(51:3)TG 51:3ME542830--11.76865.7264
TG(52:0)TG 52:0ME542831--12.69885.7888
TG(52:1)TG 52:1ME542832--12.42883.7728
TG(52:2)TG 52:2ME542833--12.17881.7558
TG(52:3)TG 52:3ME542834--11.93879.7411
TG(52:4)TG 52:4ME542835--11.69877.7254
TG(52:5)TG 52:5ME542836--11.47875.7101
TG(52:6)TG 52:6ME542837--11.26873.6951
TG(52:7)TG 52:7ME542838--11.15871.6786
TG(53:2)TG 53:2ME542839--12.34895.7727
TG(53:3)TG 53:3ME542840--12.07893.7566
TG(54:1)TG 54:1ME542841--12.79911.8046
TG(54:2)TG 54:2ME542842--12.51909.7883
TG(54:3)TG 54:3ME542843--12.26907.7727
TG(54:4)TG 54:4ME542844--12.02905.757
TG(54:5)TG 54:5ME542845--11.78903.7414
TG(54:6)TG 54:6ME542846--11.55901.7255
TG(54:7)TG 54:7ME542847--11.34899.7113
TG(54:8)TG 54:8ME542848--11.12897.6959
TG(55:2)TG 55:2ME542849--12.7923.805
TG(55:3)TG 55:3ME542850--12.44921.7895
TG(56:1)TG 56:1ME542851--13.21939.8361
TG(56:2)TG 56:2ME542852--12.89937.8209
TG(56:3)TG 56:3ME542853--12.61935.8046
TG(56:4)TG 56:4ME542854--12.35933.7882
TG(56:6)TG 56:6ME542855--11.98929.7569
TG(56:7)TG 56:7ME542856--11.8927.7414
TG(56:8)TG 56:8ME542857--11.58925.7269
TG(56:9)TG 56:9ME542858--11.31923.7114
TG(58:10)TG 58:10ME542859--11.44949.7268
TG(58:6)TG 58:6ME542860--12.24957.787
TG(58:7)_NH4TG 58:7ME542861--12.12950.8173
TG(58:8)TG 58:8ME542862--11.88953.7568
TG(58:9)TG 58:9ME542863--11.66951.7413


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
1-methylurate1-Methyluric acidME542867--4.86181.0367
2-aminoadipatealpha-Aminoadipic acidME542868--3.88160.0617
2-aminobutyrate2-Aminobutyric acidME542869--2.98102.0560
2-aminoheptanoate2-Aminoheptanoic acidME542870--2.47144.1031
2-hydroxy-3-methylbutyrate/hydroxyisovalerate-ME542871--3.63117.0558
2-hydroxy-3-methylpentanoate/hydroxyisocaproate-ME542872--3.58131.0715
2-hydroxyglutarate2-Hydroxyglutaric acidME542873--7.07147.0299
2-isopropylmalate2-Isopropylmalic acidME542874--7.38175.0612
3-3-hydroxyphenylpropionate3-(3-Hydroxyphenyl)propanoic acidME542875--4.48165.0557
3-methyladipate/pimelate-ME542876--7.04159.0663
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME542877--2.47121.0295
4-hydroxymandelate/homogentisate-ME542878--4.64167.0352
4-pyridoxate4-Pyridoxic acidME542879--3.80182.0459
acetaminophen glucuronidep-AcetamidophenylglucuronideME542880--4.58326.0881
aconitatetrans-Aconitic acidME542881--9.30173.0092
adenineAdenineME542882--2.26134.0473
adipate/methylglutarate-ME542883--7.01145.0506
adonitol/arabitol-ME542884--1.69151.0613
alpha-glycerophosphatesn-Glycero-3-phosphateME542885--7.51171.0066
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...-ME542886--3.77103.0401
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...-ME542887--3.39129.0558
alpha-ketoglutarate2-Oxoglutaric acidME542888--8.15145.0143
alpha-ketoisovalerateKetoisovaleric acidME542889--3.44115.0401
anhydroDglucose/3-hydroxymethylglutarate-ME542890--6.98161.0455
aspartateAspartic acidME542891--5.22132.0303
benzoateBenzoic acidME542892--4.08121.0295
butyrateButyric acidME542893--3.8187.0451
cAMP3',5' cyclic AMPME542894--4.30328.0452
chenodeoxycholate/deoxycholateDeoxycholic acidME542895--4.07391.2857
cholateCholic acidME542896--4.13407.2810
citrate/isocitrateCitric acid/Isocitric acidME542897--9.27191.0199
CMPCMPME542898--7.59322.0446
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME542899--6.94239.0926
cystathionineCystathionineME542900--5.41221.0601
cytidineCytidineME542901--2.08242.0782
dCMPdCMPME542902--7.55306.0497
dTMPdTMPME542903--7.55321.0493
erythronate/threonate-ME542904--4.27135.0300
folateFolic acidME542905--11.01440.1324
fructose/glucose/galactoseHexoseME542906--2.10179.0563
fumarate/maleateFumaric acidME542907--7.17115.0037
gentisateGentisic acidME542908--4.67153.0195
glucuronateGlucuronic acidME542909--4.97193.0354
glutamateGlutamic acidME542910--5.17146.0459
glycerateGlyceric acidME542911--4.27105.0193
glycocholateGlycocholic acidME542912--3.94464.3021
glycocholate-d4Glycocholic acidME542864--3.93468.3269
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME542913--3.87448.3071
guanineGuanineME542914--2.77150.0421
guanosineGuanosineME542915--2.98282.0846
hexose monophosphateFructose 6-phosphateME542916--7.37259.0222
hippurateHippuric acidME542917--3.94178.0510
homovanillateHomovanillic acidME542918--4.46181.0508
hypoxanthineHypoxanthineME542919--3.23135.0314
indole-3-propionate3-Indolepropionic acidME542920--4.55188.0719
indoleacetateIndoleacetic acidME542921--4.83174.0560
indolelactateIndolelactic acidME542922--4.46204.0666
indoxylsulfateIndoxyl sulfateME542923--4.05212.0025
inosineInosineME542924--3.38267.0735
inosine-15N4InosineME542865--3.34271.0616
inositol/theophylline-ME542925--2.58179.0561
isovalerate/valerate/methylbutyrate-ME542926--3.70101.0608
lactateLactic acidME542927--3.9389.0244
lithocholateLithocholic acidME542928--3.95375.2909
malateMalic acidME542929--7.26133.0143
malonateMalonic acidME542930--7.43103.0037
mesaconateMesaconic acidME542931--7.11129.0194
N-acetylcarnosineN-AcetylcarnosineME542932--4.04267.1099
N-acetylglutamateN-Acetylglutamic acidME542933--6.86188.0565
Ne-Ne dimethyllysine-ME542934--6.05173.1295
nicotinateNicotinic acidME542935--4.09122.0247
norepinephrineNorepinephrineME542936--2.73168.0667
orotateOrotic acidME542937--4.60155.0100
oxalateOxalic acidME542938--7.6288.9880
pantothenatePantothenic acidME542939--3.94218.1034
propionatePropionic acidME542940--3.9673.0295
pseudouridinePseudouridineME542941--2.30243.0623
pyruvatePyruvic acidME542942--5.4087.0088
quinateQuinic acidME542943--4.30191.0564
quinolinateQuinolinic acidME542944--7.67166.0146
ranitidineRanitidineME542945--1.15313.1340
salicylurateSalicyluric acidME542946--5.60194.0459
sebacateSebacic acidME542947--7.00201.1132
sorbitolSorbitolME542948--1.92181.0720
suberateSuberic acidME542949--6.99173.0819
succinate/methylmalonate-ME542950--7.19117.0194
succinyladenosineSuccinyladenosineME542951--7.53382.1004
sucrose/lactose/trehalose-ME542952--2.55341.1094
tartarateTartaric acidME542953--7.32149.0092
taurocholateTaurocholic acidME542954--3.61514.2851
taurodeoxycholate/taurochenodeoxycholate-ME542955--3.50498.2897
tetrahydro-1-methyl-beta-carboline-3-carboxylate-ME542956--3.74229.0983
threitolThreitolME542957--1.52121.0506
thymineThymineME542958--1.30125.0357
thymine-d4ThymineME542866--1.29129.0608
UDP-galactose/UDP-glucoseUDP-glucoseME542959--7.34565.0477
UMPUMPME542960--7.84323.0286
uracilUracilME542961--1.48111.0200
urateUric acidME542962--5.29167.0212
uridineUridineME542963--1.75243.0623
VMAVanillylmandelic acidME542964--4.53197.0455
xanthineXanthineME542965--5.08151.0262
xanthurenateXanthurenic acidME542966--8.85204.0302


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HDoHE/14-HDoHE-ME542976--11.58343.2278
10-heptadecenoate-ME543008--14.49267.2328
10-nonadecenoate-ME543014--15.46295.264
10-pentadecenoic acid-ME543025--13.29239.2014
11-HDoHE11-HDoHEME542977--11.72343.2277
11-HETE11-HETEME542982--11.59319.2277
11-methyl laurate-ME543026--12.76213.1852
12.13-diHOME12,13-DiHOMEME542972--9.79313.2385
12-HETE/8-HETE-ME542983--11.74319.2276
13-docosenoate-ME543024--16.78337.3112
13-HODE13-HODEME542974--11.3295.2277
14-pentadecenoic acid-ME543027--13.41239.2011
15-HETE15-HETEME542984--11.4319.2276
15R-15-methyl-PGA2-ME542967--9.35347.2229
15R-15-methyl-PGF2a-ME542971--7.89367.2491
15S-15-methyl-PGD2-ME542968--8.33365.2334
15S-15-methyl-PGE1-ME542969--8.2367.2491
15S-15-methyl-PGE2-ME542970--8.08365.2334
16-HDoHE/17-HDoHE-ME542978--11.45343.2278
20-HDoHE20-HDoHEME542979--11.26343.2278
2-hydroxyhexadecanoate2-Hydroxypalmitic acidME543009--13.6271.2278
3-hydroxydecanoate3-Hydroxydecanoic acidME542996--8.21187.1329
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME542997--1.52131.0702
3-hydroxyoctanoate3-Hydroxyoctanoic acidME542993--5.63159.1016
3-methyladipate3-Methyladipic acidME543058--1.38159.0651
3-oxolithocholate-ME543036--12.27373.2746
5-dodecenoate5-Dodecenoic acidME542998--11.29197.1538
5-HEPE5-HEPEME542985--11.24317.2122
5-HETE5-HETEME542980--12319.2277
8-HDoHE8-HDoHEME542975--11.86343.2277
9.10-diHOME9,10-DiHOMEME542973--9.98313.2384
9-HEPE9-HEPEME542986--11.11317.2122
9-HETE9-HETEME542981--11.86319.2277
acesulfameAcesulfameME543072--0.91161.9855
acetyltyrosine-ME543059--1.03222.0766
adrenateAdrenic acidME543023--14.82331.2642
alpha-linolenatealpha-Linolenic acidME543010--13.45277.2171
arachidonateArachidonic acidME543016--14.03303.2329
azelateAzelaic acidME543053--3.93187.0967
caprateCapric acidME542994--10.57171.1379
caproateCaproic acidME542988--5.93115.0752
caprylateCaprylic acidME542990--8.72143.1065
cetirizineCetirizineME543056--7.54387.1484
chenodeoxycholateChenodeoxycholic acidME543038--10.17391.2851
cholateCholic acidME543042--8.82407.2801
dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME543060--7.16367.1584
deoxycholateDeoxycholic acidME543039--10.36391.2852
docosahexaenoateDocosahexaenoic acidME543021--13.81327.233
docosapentaenoateDocosapentaenoic acidME543022--14.17329.2486
dodecanedioateDodecanedioic acidME543003--7.71229.1439
dodecanoateLauric acidME542999--12.24199.1694
eicosadienoate11Z,14Z-Eicosadienoic acidME543018--15.17307.2642
eicosapentaenoateEicosapentaenoic acidME543015--13.32301.2172
eicosatrienoateDihomo-gamma-linolenic acidME543017--14.52305.2485
eicosenoateEicosenoic acidME543019--15.91309.2798
formylmethionineN-FormylmethionineME543061--1.05176.0377
fructose/glucose/galactoseHexoseME543062--0.73179.055
furoylglycine2-FuroylglycineME543063--0.99168.0293
glycochenodeoxycholateGlycochenodeoxycholic acidME543043--8.92448.3068
glycocholateGlycocholic acidME543046--7.81464.3015
glycodeoxycholateGlycodeoxycholic acidME543044--9.09448.3076
glycoursodeoxycholateGlycoursodeoxycholic acidME543045--7.76448.3067
heptanoateHeptylic acidME542989--7.52129.091
hexadecanedioateHexadecanedioic acidME543013--10.39285.2074
hydrocinnamateHydrocinnamic acidME542991--5.96149.0598
hydroxymyristateHydroxytetradecanoic acidME543005--12.12243.1961
hyodeoxycholate/ursodeoxycholate-ME543040--8.92391.2852
indoleacetateIndoleacetic acidME542995--4.08174.0552
isoallolithocholateIsoallolithocholic acidME543032--11.16375.2911
isolithocholateIsolithocholic acidME543031--11.34375.2901
ketodeoxycholate-ME543041--8.05405.2644
leucocholate-ME543033--9.27520.3646
levulinateLevulinic acidME542987--0.94115.0387
linoleateLinoleic acidME543011--14.21279.2328
lithocholateLithocholic acidME543037--12.04375.2901
mandelateMandelic acidME542992--1.95151.0389
masilinate-ME543030--11.48471.3476
myristateMyristic acidME543002--13.69227.2011
myristoleateMyristoleic acidME543001--12.62225.1853
N-acetylalanineN-AcetylalanineME543064--0.91130.0499
oleanate-ME543029--13.54455.3529
oleateOleic acidME543012--15.02281.2485
oxypurinolOxypurinolME543065--0.75151.0249
palmitoleatePalmitoleic acidME543006--13.91253.217
palmitoylethanolamidePalmitoyl-EAME543066--13.4344.2805
p-cresol glucuronideP-Cresol glucuronideME543057--1.77283.0826
pentadecanoatePentadecylic acidME543004--14.33241.2168
phenylacetylglutaminealpha-N-PhenylacetylglutamineME543067--1.39263.1037
phenylalanocholate-ME543034--9.38554.3488
phenyllactatePhenyllactic acidME543068--2.29165.0547
p-hydroxyphenylacetate4-Hydroxyphenylacetic acidME543069--1.4151.0388
phytanatePhytanic acidME543020--16.13311.2955
pregnenolone sulfatePregnenolone sulfateME543070--8.21395.1902
ribothymidineRibothymidineME543071--0.92257.0775
saccharinSaccharinME543052--1181.9907
salicylateSalicylic acidME543050--2.92137.0233
salicylurateSalicyluric acidME543054--2.01194.0453
sebacateSebacic acidME543055--5.88201.1127
taurochenodeoxycholateTaurochenodeoxycholic acidME543047--7.97498.289
taurocholateTaurocholic acidME543049--7.12514.2838
taurohyodeoxycholate/tauroursodeoxycholate-ME543048--6.93498.2896
tetradecanedioateTetradecanedioic acidME543007--9.12257.1756
theophyllineTheophyllineME543051--1.09179.0558
tridecanoic acidTridecylic acidME543028--13213.1852
tyrosocholate-ME543035--8.21570.3425
undecanedionateUndecanedioic acidME543000--6.89215.1281


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