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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
11a-Hydroxyprogesterone11alpha-HydroxyprogesteroneME708766--0.31331.22496
1-Methyladenosine1-MethyladenosineME708764--5.15282.1197
1-Methylguanine1-MethylguanineME708765--3.41166.07243
2,3-Butanediol2,3-ButanediolME708768--8.0691.07548
2'-Deoxyguanosine 5'-monophosphatedGMPME708767--5.02348.0705
2-Ethyl-2-hydroxybutyric acid2-Ethyl-2-hydroxybutyric acidME708769--8.01133.08602
2-Hydroxyadenine2-HydroxyadenineME708770--1.84152.05674
2-Methyl-3-ketovaleric acid2-Methyl-3-ketovaleric acidME708771--14.39131.07043
2-Pyrrolidinone2-PyrrolidinoneME708772--12.2986.06075
3a,6b,7b-Trihydroxy-5b-cholanoic acidbeta-Muricholic acidME708775--14.93409.29527
3-Hexenedioic acid3-Hexenedioic acidME708773--1.79145.04956
3-Phenylbutyric acid3-Phenylbutyric acidME708774--15.44165.091
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME708776--13.3146.09324
5-Aminolevulinic acid5-Amino-levulinic acidME708778--4.36132.06586
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME708779--5.33221.09235
5-Methoxytryptophol5-MethoxytryptopholME708780--9.56192.10259
5-Methylcytidine5-MethylcytidineME708781--2.07258.10914
5'-Methylthioadenosine5'-MethylthioadenosineME708777--5.81298.09701
6-(Methylamino) purine6-MethyladenineME708782--1.59150.07757
7-Methylguanine7-MethylguanineME708783--5.12166.07244
8,11,14-Eicosatrienoic acidDihomo-gamma-linolenic acidME708784--0.87307.26084
AcetoinAcetoinME708785--8.0989.05985
AcetoneAcetoneME708786--0.3159.04924
AdenineAdenineME708787--5.81136.06178
AdenosineAdenosineME708788--4.56268.10419
AldosteroneAldosteroneME708789--12.28361.19886
AndrostenedioneAndrostenedioneME708790--0.31287.19795
Aspartyl-lysineAsp-LysME708791--12.35262.13766
Asymmetric dimethylarginineDimethylarginineME708792--1.31203.15038
Azelaic acidAzelaic acidME708793--12.75189.11239
Benzoic acidBenzoic acidME708794--3123.04404
Citramalic acidCitramalic acidME708795--5.15149.04561
CytosineCytosineME708796--4.53112.05063
D-Alpha-aminobutyric acid2R-Aminobutyric acidME708797--1.07104.0705
D-ArginineD-ArginineME708798--1.16175.11905
DeoxyinosineDeoxyinosineME708801--4.9253.09321
DGTPdGTPME708802--14.31508.0064
DiacetylDiacetylME708803--15.487.04429
DL-2-aminooctanoic acid2-Aminocaprylic acidME708804--1.6160.13338
DL-HomocystineHomocystineME708805--13.52269.06121
D-LysineD-LysineME708799--1.95147.11292
D-SerineD-SerineME708800--6.14106.04983
Elaidic acidElaidic acidME708806--17.72283.26388
EthanolamineEthanolamineME708807--10.7262.06032
Gamma-Caprolactonegamma-CaprolactoneME708808--8.47115.07554
Gamma-Glutamylcysteinegamma-GlutamylcysteineME708809--2.26251.06953
GlucosamineGlucosamineME708810--5.49180.08821
GlutathioneGlutathioneME708811--4.97308.09085
Glycerophosphocholinesn-Glycero-3-phosphocholineME708812--1.26258.11013
GlycineGlycineME708813--4.9476.03941
GlycylprolineGly-ProME708814--5.22173.09227
GuanosineGuanosineME708815--4.74284.09908
Hippuric acidHippuric acidME708816--6.98180.06577
Hydrocinnamic acidHydrocinnamic acidME708817--10.7151.0756
Hydroxyisocaproic acidHydroxyisocaproic acidME708818--5.4133.0857
Hydroxyoctanoic acidHydroxyoctanoic acidME708819--8.23161.11744
HypoxanthineHypoxanthineME708820--4.73137.04581
IndoleIndoleME708821--5.96118.06502
Indoleacetic acidIndoleacetic acidME708822--10.13176.07076
Indoleacrylic acidIndoleacrylic acidME708823--5.97188.07076
InosineInosineME708824--4.73269.08819
IsovalerylcarnitineCAR 4:0;3MeME708825--6.35246.17032
L-AcetylcarnitineCAR 2:0ME708826--1.81204.12313
L-Alpha-aminobutyric acid2S-Aminobutyric acidME708827--14.24104.07073
L-Aspartic acidAspartic acidME708828--1.36134.04479
L-Aspartyl-L-phenylalanineAsp-PheME708829--5.95281.11279
L-CarnitineCarnitineME708830--1.25162.11258
L-CystineCystineME708831--1.28241.03114
L-DopaDOPAME708832--5.26198.07491
Leucinic acidLeucinic acidME708842--0.49133.08591
L-Glutamic acidGlutamic acidME708833--4.95148.06049
L-GlutamineGlutamineME708834--6.3147.07673
L-LeucineLeucineME708835--3.03132.10195
L-Malic acidMalic acidME708836--4.72135.0298
L-MethionineMethionineME708837--2.07150.05778
L-NorleucineNorleucineME708838--6.06132.10198
L-PhenylalaninePhenylalanineME708839--5.07166.0864
L-ProlineProlineME708840--14.14116.07089
L-TryptophanTryptophanME708841--5.96205.09734
m-Coumaric acidtrans-m-Coumaric acidME708843--3165.05475
MedroxyprogesteroneMedroxyprogesteroneME708844--5.67345.24019
Methylmalonic acidMethylmalonic acidME708845--2.06119.03504
Methylsuccinic acidMethylsuccinic acidME708846--5133.04954
Mevalonic acidMevalonic acidME708847--2.12149.08092
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME708849--1.33222.09737
N-Acetyl-L-alanineN-AcetylalanineME708850--1.37132.06546
NiacinamideNiacinamideME708854--2.1123.05523
N-Methyl-a-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME708851--1.6118.0862
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME708852--1.66148.06044
N-MethylnicotinamideN-MethylnicotinamideME708853--1.24137.07092
N,N-DimethylformamideN,N-DimethylformamideME708848--2.1374.06016
Nutriacholic acid7-Ketolithocholic acidME708855--19.71413.26653
Oleic acidOleic acidME708857--0.45283.2634
o-Tyrosineo-TyrosineME708856--3.01182.0813
PC(16:0/16:0)PC 16:0/16:0ME708858--20.3734.56959
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME708859--17.6786.60186
Perillic acidPerillic acidME708860--15.37167.10701
PhenylacetaldehydePhenylacetaldehydeME708861--15.44121.06492
Phenylacetic acidPhenylacetic acidME708862--4.74137.06026
Phenylpropiolic acidPhenylpropiolic acidME708863--3.03147.04409
PregnenolonePregnenoloneME708864--15.4317.24759
Propionic acidPropionic acidME708865--1.3275.04438
PyridinePyridineME708866--2.0980.04965
Pyroglutamic acidPyroglutamic acidME708867--5.03130.04992
Pyrrolidonecarboxylic acidPyroglutamic acidME708868--6.31130.04996
PyruvaldehydePyruvaldehydeME708869--15.4973.02878
Quinaldic acidQuinaldic acidME708870--3.93174.05498
SaccharopineSaccharopineME708871--1.5277.13937
Sebacic acidSebacic acidME708872--7.94102.06764
SpermineSpermineME708873--0.82203.22315
SphinganineSphinganineME708874--12.33302.30641
SphingosineSphingosineME708875--17.57300.2903
Stearic acidStearic acidME708876--14.96285.27916
SuccinylacetoneSuccinylacetoneME708877--17.9159.06518
Taurodeoxycholic acidTaurodeoxycholic acidME708878--13.75500.29936
Terephthalic acidTerephthalic acidME708879--19.72149.02342
TestosteroneTestosteroneME708880--12.29289.21628
ThymineThymineME708881--4.94127.05038
TiglylglycineTiglylglycineME708882--1.25158.08125
Traumatic acidTraumatic acidME708883--9.4229.14368
TrimethylamineTrimethylamineME708884--1.1860.0809
TryptophanolTryptophanolME708885--5.69162.09145
UracilUracilME708886--3.05113.03448
UreaUreaME708887--15.5661.03963
UridineUridineME708888--12.51245.07873
XanthineXanthineME708889--4.99153.04077
XanthosineXanthosineME708890--5.01285.08325


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