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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
17-Hydroxyprogesterone17alpha-HydroxyprogesteroneME705474--0.3331.22456
2'-Deoxyguanosine 5'-monophosphatedGMPME705475--6.2348.07068
2-Ethyl-2-hydroxybutyric acid2-Ethyl-2-hydroxybutyric acidME705476--5.86133.0859
2-Hydroxyadenine2-HydroxyadenineME705477--1.8152.05672
2-Phenylaminoadenosine2-PhenylaminoadenosineME705478--10.97381.13107
2-Phenylbutyric acid2-Phenylbutyric acidME705479--10165.09108
2-Pyrrolidinone2-PyrrolidinoneME705480--6.8686.06028
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME705481--2.21171.06288
3,5-Diiodo-L-tyrosine3,5-Diiodo-L-tyrosineME705482--17.32433.88026
3a,6b,7b-Trihydroxy-5b-cholanoic acidbeta-Muricholic acidME705485--7.18409.29251
3-NitrotyrosineNitrotyrosineME705483--1.77227.06649
3-Phenylbutyric acid3-Phenylbutyric acidME705484--9.92165.09111
5-Methoxytryptophol5-MethoxytryptopholME705487--9.69192.10217
5'-Methylthioadenosine5'-MethylthioadenosineME705486--5.83298.09691
7,8-Dihydrobiopterin7,8-DihydrobiopterinME705488--1.69240.1092
AcetoinAcetoinME705489--5.8689.05987
AcetoneAcetoneME705490--10.8459.04932
AdenineAdenineME705491--5.83136.06177
AdenosineAdenosineME705492--4.54268.10407
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME705493--2.21428.03679
Adenosine monophosphateAMPME705494--5.34348.07117
Adenosine triphosphateATPME705495--1.93508.00327
ADPADPME705496--5.35428.03688
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME705497--1.17265.11199
Aminopterin4-Aminofolic acidME705498--5.13441.16872
AndrostenedioneAndrostenedioneME705499--9.17287.19688
BenzeneBenzeneME705500--2.4279.0542
BenzocaineBenzocaineME705501--5.63166.08499
Beta-Alaninebeta-AlanineME705502--5.5190.05524
CarnosineCarnosineME705503--1.71249.0946
ChalconeChalconeME705504--5.51209.10163
CytosineCytosineME705505--4.83112.05047
D-Glucurono-6,3-lactoneGlucuronolactoneME705506--5.56177.03289
DiacetylDiacetylME705507--5.9287.04423
DiethanolamineDiethanolamineME705508--13.41106.08631
EthanolamineEthanolamineME705509--13.7362.06016
Ethyl malonateEthylmalonic acidME705510--4.99133.04954
GalactitolGalactitolME705511--1.18183.08642
Gamma-Glutamylcysteinegamma-GlutamylcysteineME705512--6.1251.06971
GluconolactoneGluconolactoneME705513--2.08179.04857
GlutathioneGlutathioneME705514--2.11308.09112
GlycerolGlycerolME705515--8.0293.0548
Glycerophosphocholinesn-Glycero-3-phosphocholineME705516--1.06258.11029
GlycineGlycineME705517--11.3376.03946
Glycocholic acidGlycocholic acidME705518--11.06466.31718
GlycylprolineGly-ProME705519--5173.09228
GuanineGuanineME705520--5.39152.05681
GuanosineGuanosineME705521--4.72284.09909
Guanosine 5'-diphosphateGDPME705522--1.86444.03202
Hydroxyisocaproic acidHydroxyisocaproic acidME705523--9.81133.08596
Hyodeoxycholic acidHyodeoxycholic acidME705524--20.18393.29785
HypoxanthineHypoxanthineME705525--4.71137.04573
IndoleIndoleME705526--6118.06504
Indole-3-carbinolIndole-3-carbinolME705527--9.73148.07589
Indoleacrylic acidIndoleacrylic acidME705528--6188.07074
InosineInosineME705529--4.72269.08827
IsovalerylcarnitineCAR 4:0;3MeME705530--6.4246.17021
L-AcetylcarnitineCAR 2:0ME705531--1.88204.12318
L-DopaDOPAME705532--5.29198.07388
Leucinic acidLeucinic acidME705538--6.19133.08594
L-FucoseFucoseME705533--1.19165.07585
L-HomoserineHomoserineME705534--11.45120.06527
L-NorleucineNorleucineME705535--9.17132.10198
L-PhenylalaninePhenylalanineME705536--5.14166.08635
L-TryptophanTryptophanME705537--6205.09736
MaltitolMaltitolME705539--1.18345.13922
MedroxyprogesteroneMedroxyprogesteroneME705540--18.12345.24039
MelatoninMelatoninME705541--6.56233.1262
Methylmalonic acidMethylmalonic acidME705542--1.77119.0352
Mevalonic acidMevalonic acidME705543--2.11149.08087
N-Acetyl-L-alanineN-AcetylalanineME705544--1.29132.06551
N-AcetylserotoninN-AcetylserotoninME705545--6.08219.11064
NiacinamideNiacinamideME705548--3.84123.05532
N-Methyl-a-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME705546--1.62118.08623
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME705547--1.16148.06052
Nutriacholic acid7-Ketolithocholic acidME705549--20.08413.26642
Pantothenic acidPantothenic acidME705550--5.5220.11836
PC(16:0/16:0)PC 16:0/16:0ME705551--13.04734.56927
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME705552--19.6786.60054
PhenylacetaldehydePhenylacetaldehydeME705553--9.65121.06487
PhosphocreatinePhosphocreatineME705554--12.15212.03772
Propionic acidPropionic acidME705555--7.0275.04418
PyridinePyridineME705556--2.1480.04984
PyridoxalPyridoxalME705557--4.73168.06322
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME705558--2.29248.03221
Pyrrolidonecarboxylic acidPyroglutamic acidME705559--4.94130.04983
PyruvaldehydePyruvaldehydeME705560--15.8673.02855
SalicinSalicinME705561--5.42287.10708
Sebacic acidSebacic acidME705562--14.6102.06776
SpermineSpermineME705563--0.81203.22313
SphinganineSphinganineME705564--12.44302.30552
SphingosineSphingosineME705565--12.11282.2793
Stearic acidStearic acidME705566--0.57285.27895
SuccinylacetoneSuccinylacetoneME705567--8.93159.06539
Threonic acidThreonic acidME705568--2.06137.04531
TrimethylamineTrimethylamineME705569--1.8760.08094
Trimethylamine N-oxideTrimethylamine N-oxideME705570--9.1576.07596
XanthineXanthineME705571--4.99153.04073
XanthosineXanthosineME705572--5285.08311


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