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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
1,3-Dimethyluracil1,3-DimethyluracilME786607--10.88141.06989
1,5-Anhydrosorbitol1,5-AnhydrosorbitolME786608--7.62165.07573
17a-Ethynylestradiol17alpha-Ethinyl estradiolME786610--7279.17043
1-Methyladenosine1-MethyladenosineME786609--5.14282.11976
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME786611--12.29105.0698
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME786612--13.29119.08546
2-Furoylglycine2-FuroylglycineME786613--1.12192.02443
3,4-Dihydroxymandelic acid3,4-Dihydroxymandelic acidME786614--6.07185.04459
3-Hexenedioic acid3-Hexenedioic acidME786615--1.79145.04953
3-Hydroxy-4-methoxycinnamic aicdIsoferulic acidME786616--4.81195.06549
3-Methylindole3-MethylindoleME786617--5.95132.08072
3-Methylxanthine3-MethylxanthineME786618--5.19167.05643
4-Aminophenol4-AminophenolME786619--7.67110.06002
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME786620--5.35221.09118
5-Methoxytryptophol5-MethoxytryptopholME786621--9.7192.10208
5-Phenylvaleric acid5-Phenylvaleric acidME786622--12.6179.10674
6-(Methylamino) purine6-MethyladenineME786623--2.11150.07729
7-Methylxanthine7-MethylxanthineME786624--4.94167.05641
9-Methyluric acid9-Methyluric acidME786625--4.96183.05136
AcetoneAcetoneME786626--0.3159.04931
AdenineAdenineME786627--2.25136.05818
AldosteroneAldosteroneME786628--9.73361.20112
Allantoic acidAllantoic acidME786629--0.88177.06114
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME786630--6.97265.11802
AndrostenedioneAndrostenedioneME786631--12.32287.20044
AndrosteroneAndrosteroneME786632--15.9291.22964
AnserineAnserineME786633--11.22241.13691
AspartameAspartameME786634--6.4295.12888
Aspartyl-lysineAsp-LysME786635--12.48262.13985
AtenololAtenololME786636--6.33267.16804
BenzocaineBenzocaineME786637--13.47166.08647
Benzoic acidBenzoic acidME786638--6.69123.0427
ButanoneButanoneME786639--18.4573.06492
CaffeineCaffeineME786640--6.69195.08773
CanavanineCanavanineME786641--7.7177.09998
Chlorogenic acidChlorogenic acidME786642--2.17355.09975
CortisolCortisolME786643--9.63363.21683
CoumarinCoumarinME786644--3147.04409
CreatinineCreatinineME786645--1.13136.04804
D-ArginineD-ArginineME786646--1.05175.11905
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME786648--11.94450.32146
D-GlutamineD-GlutamineME786647--1.06169.05844
DihydrothymineDihydrothymineME786649--10.43129.06958
DL-2-aminooctanoic acid2-Aminocaprylic acidME786650--1.54160.1333
DUMPdUMPME786651--1.91309.04882
EpinephrineEpinephrineME786652--5.04184.09696
EthanolamineEthanolamineME786653--14.562.0602
Gluconic acidGluconic acidME786654--5.8197.06701
GlucosamineGlucosamineME786655--5.47180.08804
Glycerophosphocholinesn-Glycero-3-phosphocholineME786656--2.13258.10867
GlycineGlycineME786657--5.6576.03948
Glycocholic acidGlycocholic acidME786658--10.57466.31655
Glycyl-L-leucineGly-LeuME786659--4.71189.12357
GuanidineAgmatineME786660--1.0560.05576
Guanosine 5'-triphosphateGTPME786661--16.37523.99846
Hippuric acidHippuric acidME786662--7.07202.04762
HypoxanthineHypoxanthineME786663--4.73137.04573
ImidazoleImidazoleME786664--6.6969.04489
IndoleIndoleME786665--5.95118.06495
Indoleacrylic acidIndoleacrylic acidME786666--5.95188.07059
Indolelactic acidIndolelactic acidME786667--8.32206.08137
InosineInosineME786668--4.73269.08806
IsovalerylcarnitineCAR 4:0;3MeME786669--6.32246.17011
L-AcetylcarnitineCAR 2:0ME786670--1.79204.12313
L-AlloisoleucineAlloisoleucineME786671--7.14132.10189
L-Aspartyl-L-phenylalanineAsp-PheME786672--5.97281.11298
L-CarnitineCarnitineME786673--1.1162.11254
L-DopaDOPAME786674--5.3198.07384
LevoglucosanGlucosanME786683--1.16163.0601
Levulinic acidLevulinic acidME786684--5.12117.05719
L-GlutamineGlutamineME786675--11.08147.08046
L-KynurenineKynurenineME786676--5.1209.09206
L-LeucineLeucineME786677--5.92132.10185
L-MethionineMethionineME786678--2.1150.05834
L-NorleucineNorleucineME786679--6.09132.10188
L-PhenylalaninePhenylalanineME786680--5.77166.08631
L-TryptophanTryptophanME786681--5.95205.09721
L-ValineValineME786682--5.04118.08617
m-Coumaric acidtrans-m-Coumaric acidME786685--3.01165.05466
Methylmalonic acidMethylmalonic acidME786686--2.22119.03518
MetoprololMetoprololME786687--6.66268.19083
N-AcetylserotoninN-AcetylserotoninME786688--6.98219.11267
NeopterinNeopterinME786689--4.75292.0478
Nutriacholic acid7-Ketolithocholic acidME786690--20.09413.26649
Octadecanedioic acidOctadecanedioic acidME786692--21.35315.25081
o-Tyrosineo-TyrosineME786691--5.38182.08119
p-Aminobenzoic acidp-Aminobenzoic acidME786693--1.17160.03459
Pantothenic acidPantothenic acidME786695--5.51220.11815
ParaxanthineParaxanthineME786696--6.01181.07209
PhenolPhenolME786697--3.0195.04911
PhenylacetaldehydePhenylacetaldehydeME786698--12.29121.06474
PhosphocreatinePhosphocreatineME786699--10.04212.03698
p-OctopamineOctopamineME786694--3.06154.08395
PyridoxalPyridoxalME786700--4.75168.06324
PyridoxaminePyridoxamineME786701--0.89191.07679
Pyrrolidonecarboxylic acidPyroglutamic acidME786702--6.97130.04981
Quinaldic acidQuinaldic acidME786703--5.09174.05473
RiboflavinRiboflavinME786704--6.76377.14466
RiboseRiboseME786705--13.47151.06275
RibothymidineRibothymidineME786706--1.4259.09257
SaccharopineSaccharopineME786707--11.98277.13991
SerotoninSerotoninME786708--4.78177.10284
SphinganineSphinganineME786709--11.2302.30551
SphingosineSphingosineME786710--13.14300.28987
SuccinylacetoneSuccinylacetoneME786711--8.94181.0473
Syringic acidSyringic acidME786712--6.27199.05787
TestosteroneTestosteroneME786713--12.06289.21627
TheophyllineTheophyllineME786714--5.59181.07208
Traumatic acidTraumatic acidME786715--8.7229.14328
TrimethylamineTrimethylamineME786716--6.4860.08091
UracilUracilME786717--3.25113.03446
UreaUreaME786718--1.1161.0398
Uric acidUric acidME786719--2.13169.0356
UridineUridineME786720--1.9267.05882
Urocanic acidUrocanic acidME786721--0.71177.00705
XanthineXanthineME786722--2.87153.04072


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