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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-Dimethyluric acid1,3-Dimethyluric acidME618508--5.83197.06734
1-Methyladenosine1-MethyladenosineME618509--2.38282.11994
2-Pyrrolidinone2-PyrrolidinoneME618510--2.3886.0605
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME618511--8.93239.0902
3,4-Dihydroxybenzaldehyde-ME618512--10121.02847
3-Hydroxy-4-methoxycinnamic aicdIsoferulic acidME618513--5.13195.06544
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME618514--8.6153.05481
3-Indolepropionic acid3-Indolepropionic acidME618515--10.46190.08663
3-Methylindole3-MethylindoleME618516--6.34132.08078
3-Methylxanthine3-MethylxanthineME618517--5.27167.05655
4-Aminophenol4-AminophenolME618518--5.42110.05995
4-Methoxyphenylacetic acid4-Methoxyphenylacetic acidME618519--10.34167.07051
4-Pyridoxic acid4-Pyridoxic acidME618520--5.12184.06061
5-Methoxytryptophol5-MethoxytryptopholME618522--8.15192.10187
5'-Methylthioadenosine5'-MethylthioadenosineME618521--6.16298.09711
AcetaldehydeAcetaldehydeME618523--9.1445.03375
AcetaminophenAcetaminophenME618524--5.43152.07034
AcetoneAcetoneME618525--0.8459.04939
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME618526--7.42265.11829
AndrostanedioneAndrostanedioneME618527--12.43289.21648
AnilineAnilineME618528--5.4994.06546
AspartameAspartameME618529--6.79295.12906
BetaineBetaineME618530--5.4118.08621
CaffeineCaffeineME618531--7.1195.08781
CholineCholineME618532--1.19104.10707
CitrullineCitrullineME618533--1.69176.10354
CortisolCortisolME618534--10.08363.21686
CoumarinCoumarinME618535--6.76147.04424
CreatineCreatineME618536--1.38132.07676
CreatinineCreatinineME618537--1.32114.0661
D-ArginineD-ArginineME618538--1.2175.11919
Dehydroascorbic acidL-Dehydroascorbic acidME618542--2.46175.02346
D-GlutamineD-GlutamineME618539--7.42147.07669
DihydrothymineDihydrothymineME618543--7.42129.0659
Dimethyl sulfoneDimethyl sulfoneME618544--1.9895.01634
DL-2-aminooctanoic acid2-Aminocaprylic acidME618545--1.8160.13339
D-LimoneneLimoneneME618540--15.51137.13256
D-LysineD-LysineME618541--0.88147.113
EpinephrineEpinephrineME618546--5.39184.09711
Glycyl-L-leucineGly-LeuME618547--5.05189.1238
GlycylprolineGly-ProME618548--1.5173.09246
GuaiacolGuaiacolME618549--8.6125.05973
Hippuric acidHippuric acidME618550--7.54180.06575
Homoveratric acidHomoveratric acidME618551--8.22197.07987
Hydroxyindoleacetic acidHydroxyindoleacetic acidME618552--5.47192.06579
HypoxanthineHypoxanthineME618553--2.41137.04575
ImidazoleImidazoleME618554--2.0969.04507
Imidazoleacetic acidImidazoleacetic acidME618555--1.78127.05005
IndoleIndoleME618556--6.34118.06502
Indole-3-carbinolIndole-3-carbinolME618557--5.51148.07578
Indole-3-carboxylic acidIndole-3-carboxylic acidME618558--7.88162.05529
Indoleacetic acidIndoleacetic acidME618559--9.62176.07093
Indoleacrylic acidIndoleacrylic acidME618560--6.34188.07056
Indolelactic acidIndolelactic acidME618561--8.81206.08154
InosineInosineME618562--5.18269.08844
Isopropyl alcoholIsopropanolME618563--0.8443.05447
IsovalerylcarnitineCAR 4:0;3MeME618564--6.65246.17029
L-AcetylcarnitineCAR 2:0ME618565--2.14204.12326
L-AlloisoleucineAlloisoleucineME618566--6.48132.10191
L-ArginineArginineME618567--1.72175.11895
L-Aspartyl-L-phenylalanineAsp-PheME618568--6.58281.11342
L-CarnitineCarnitineME618569--1.27162.11265
LevoglucosanGlucosanME618581--1.31145.04934
L-FucoseFucoseME618570--8.06165.07593
L-Glutamic acidGlutamic acidME618571--1.26148.06057
L-HistidineHistidineME618572--1.19156.07699
L-KynurenineKynurenineME618573--5.47209.09238
L-LeucineLeucineME618574--7.52132.10197
L-MethionineMethionineME618575--2.34150.05844
L-PhenylalaninePhenylalanineME618576--5.15166.08648
L-ProlineProlineME618577--1.39116.07056
L-TryptophanTryptophanME618578--6.34205.09733
L-TyrosineTyrosineME618579--2.39182.08129
L-ValineValineME618580--1.85118.08618
N6-Acetyl-L-lysineN6-AcetyllysineME618584--2.09189.12379
NiacinamideNiacinamideME618585--2.4123.05523
N-MethylhydantoinN-MethylhydantoinME618583--2.25115.05014
N,N-DimethylformamideN,N-DimethylformamideME618582--2.3974.06048
Oxoglutaric acid2-Oxoglutaric acidME618586--2.49147.02876
OxypurinolOxypurinolME618587--2.49153.04026
Paracetamol sulfateParacetamol sulfateME618588--6.24232.0277
ParaxanthineParaxanthineME618589--6.39181.0722
Phenylacetic acidPhenylacetic acidME618590--8.52137.05971
Phenylglyoxylic acidPhenylglyoxylic acidME618591--9.31151.03914
Pipecolic acidPipecolic acidME618592--2.08130.08627
Pyrrolidonecarboxylic acidPyroglutamic acidME618593--7.42130.04984
PyruvaldehydePyruvaldehydeME618594--10.6173.02884
Quinaldic acidQuinaldic acidME618595--7.02174.05528
RibothymidineRibothymidineME618596--1.78259.09281
S-AdenosylhomocysteineS-AdenosylhomocysteineME618597--2.39385.12956
Salicyluric acidSalicyluric acidME618598--6.5196.06073
SarcosineSarcosineME618599--1.3290.05524
SphinganineSphinganineME618600--11.52302.30562
SphingosineSphingosineME618601--11.91282.2795
SuccinylacetoneSuccinylacetoneME618602--9.5159.06541
TheobromineTheobromineME618603--5.95181.07223
ThyroxineThyroxineME618604--10.44777.69438
TriethylamineTriethylamineME618605--21.11102.12785
TrimethylamineTrimethylamineME618606--2.1460.08108
Trimethylamine N-oxideTrimethylamine N-oxideME618607--1.2876.07611
Uric acidUric acidME618608--2.39169.03561
XanthosineXanthosineME618609--5.46285.08342


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