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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-HydroxyprogesteroneME768655--0.31331.22447
AcetoneAcetoneME768684--0.3159.04926
2-Ethyl-2-hydroxybutyric acid2-Ethyl-2-hydroxybutyric acidME768660--0.35133.08594
Oleic acidOleic acidME768799--0.36283.26332
SpermineSpermineME768828--0.83203.22321
8,11,14-Eicosatrienoic acidDihomo-gamma-linolenic acidME768682--0.86307.26082
AndrostenedioneAndrostenedioneME768694--0.86287.19822
ThymolThymolME768839--10.03151.11166
Glycerophosphocholinesn-Glycero-3-phosphocholineME768734--1.01280.0922
AtenololAtenololME768699--10.24267.1711
IbuprofenIbuprofenME768745--10.38207.13996
SaccharopineSaccharopineME768824--1.05277.13739
N1-AcetylspermineN1-AcetylspermineME768790--1.08245.23389
SalbutamolSalbutamolME768825--10.81240.15924
TiglylglycineTiglylglycineME768840--10.85158.08131
Cortexolone11-DeoxycortisolME768705--10.88347.22211
Elaidic acidElaidic acidME768725--11.21283.26333
All-trans-retinoic acidRetinoic acidME768691--11.4301.2169
MetoprololMetoprololME768779--11.41268.18863
EstriolEstriolME768727--11.81289.17913
MedroxyprogesteroneMedroxyprogesteroneME768774--11.84345.24102
TestosteroneTestosteroneME768836--11.93289.21611
UreaUreaME768849--11.9461.03976
D-ArginineD-ArginineME768713--1.2175.11897
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME768657--12.12147.06526
Phenylacetic acidPhenylacetic acidME768807--12.14137.05958
L-CarnitineCarnitineME768759--1.23162.11258
SphinganineSphinganineME768829--12.3302.30464
N-MethylnicotinamideN-MethylnicotinamideME768789--1.25137.07092
Stearic acidStearic acidME768831--12.52285.27909
Pregnenolone sulfatePregnenolone sulfateME768813--12.58397.20061
CreatineCreatineME768707--1.27132.07683
ThiamineThiamineME768837--1.27266.12142
Deoxyadenosine monophosphatedAMPME768718--12.81332.07304
O-PhosphoethanolaminePhosphoethanolamineME768797--12.92142.0265
Sulfolithocholic acidLithocholic acid sulfateME768834--12.97457.25933
2-Phenylbutyric acid2-Phenylbutyric acidME768663--13165.09095
Methylglutaric acidMethylglutaric acidME768776--13.08147.06522
Hydrocinnamic acidHydrocinnamic acidME768742--13.1151.07557
PyrocatecholPyrocatecholME768818--13.11111.04426
N6-Acetyl-L-lysineN6-AcetyllysineME768791--1.32189.12357
SphingosineSphingosineME768830--13.28300.29069
PC(16:0/16:0)PC 16:0/16:0ME768802--13.49734.56981
AcrylamideAcrylamideME768685--13.5672.04427
Nutriacholic acid7-Ketolithocholic acidME768796--13.6391.28501
CreatinineCreatinineME768708--1.37114.06619
6-(Methylamino) purine6-MethyladenineME768679--1.38150.07611
Asymmetric dimethylarginineDimethylarginineME768698--1.38203.15035
L-Glutamic acidGlutamic acidME768761--1.38148.06061
HomocitrullineHomocitrullineME768741--13.82190.12034
2'-Deoxyguanosine 5'-monophosphatedGMPME768656--1.41348.07015
Phosphoric acidPhosphoric acidME768810--1.4198.98365
MaltitolMaltitolME768773--1.42345.1393
L-FucoseFucoseME768760--1.43165.07581
PregnenolonePregnenoloneME768812--14.31317.24779
Sebacic acidSebacic acidME768826--14.35102.06759
DiacetylDiacetylME768722--14.3787.04423
L-KynurenineKynurenineME768763--1.47209.08999
3b-Hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME768671--14.79375.28994
Pantothenic acidPantothenic acidME768801--1.48220.11802
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME768672--14.94146.09377
5-Phenylvaleric acid5-Phenylvaleric acidME768678--14.98179.10716
DGTPdGTPME768721--15.27508.0062
Hydroxyoctanoic acidHydroxyoctanoic acidME768743--15.3161.11741
AndrosteroneAndrosteroneME768695--15.33291.23206
Perillic acidPerillic acidME768804--15.34167.10652
3-Phenylbutyric acid3-Phenylbutyric acidME768669--15.38165.09108
PyruvaldehydePyruvaldehydeME768821--15.473.02839
Glucaric acidGlucaric acidME768731--1.55211.04401
L-ValineValineME768770--1.55118.08619
NiacinamideNiacinamideME768794--1.59123.05522
ButanoneButanoneME768703--15.9973.0651
N-Acetyl-L-alanineN-AcetylalanineME768781--1.62132.06543
DL-2-aminooctanoic acid2-Aminocaprylic acidME768724--1.64160.13336
Glycocholic acidGlycocholic acidME768735--16.56466.31387
11a-Hydroxyprogesterone11alpha-HydroxyprogesteroneME768654--16.61331.22529
Cytidine monophosphateCMPME768711--1.7324.05924
3-Methylhistamine3-MethylhistamineME768666--1.75126.10236
HistamineHistamineME768740--1.77112.08675
CytidineCytidineME768710--1.9244.09287
3-Hexenedioic acid3-Hexenedioic acidME768665--1.96145.04851
TrimethylamineTrimethylamineME768845--1.9760.08088
L-AcetylcarnitineCAR 2:0ME768755--1.98204.12312
TriethylamineTriethylamineME768844--2.02102.12772
Adenosine monophosphateAMPME768688--2.03348.07048
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME768803--20.36786.60232
Aminoadipic acidAminoadipic acidME768693--2.04162.07609
GlutathioneGlutathioneME768733--2.04308.09068
Guanosine monophosphateGMPME768738--2.05364.06537
L-MethionineMethionineME768766--2.05150.05759
PyridinePyridineME768816--2.0580.04966
Urocanic acidUrocanic acidME768854--2.08139.05031
PhenylacetaldehydePhenylacetaldehydeME768806--2.11121.06466
Cis-Aconitic acidcis-Aconitic acidME768704--2.14175.02384
Uric acidUric acidME768851--2.18169.03552
L-Aspartic acidAspartic acidME768757--2.22134.04477
3-NitrotyrosineNitrotyrosineME768668--2.23227.06641
Uridine 5'-monophosphateUMPME768853--2.26325.04336
Leucinic acidLeucinic acidME768771--2.31133.08593
N-Acetylglutamic acidN-Acetylglutamic acidME768783--2.39190.07149
N,N-DimethylformamideN,N-DimethylformamideME768780--2.7174.06024
L-IsoleucineIsoleucineME768762--2.72132.10195
UracilUracilME768848--3113.03451
L-LeucineLeucineME768764--3.15132.10194
m-Coumaric acidtrans-m-Coumaric acidME768772--3.2165.05494
Benzoic acidBenzoic acidME768701--3.21123.04402
Pyroglutamic acidPyroglutamic acidME768819--3.23130.0499
GalactitolGalactitolME768730--3.45183.08554
Xanthurenic acidXanthurenic acidME768856--3.94206.04537
SorbitolSorbitolME768827--4183.08538
Guanosine 5'-diphosphateGDPME768737--4.32444.03206
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME768652--4.54211.08284
Quinic acidQuinic acidME768822--4.56193.07209
GuanosineGuanosineME768736--4.7284.09901
HypoxanthineHypoxanthineME768744--4.7137.04573
InosineInosineME768749--4.7269.08812
2-Hydroxyadenine2-HydroxyadenineME768661--4.71152.05671
Methylsuccinic acidMethylsuccinic acidME768778--4.72133.04957
SuccinylacetoneSuccinylacetoneME768833--4.73159.06401
Cyclic AMP3',5' cyclic AMPME768709--4.74330.05961
L-Malic acidMalic acidME768765--4.75135.03003
AnilineAnilineME768696--4.8394.06526
DeoxyinosineDeoxyinosineME768720--4.83253.09346
7-Methylxanthine7-MethylxanthineME768681--4.84167.0564
CytosineCytosineME768712--4.87112.05044
Adenylsuccinic acidAdenylsuccinic acidME768689--4.9464.08158
5-Aminolevulinic acid5-Amino-levulinic acidME768674--4.94132.06553
PterinPterinME768814--4.94164.0568
N-Methyl-a-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME768787--4.96118.0862
Succinic acid semialdehydeSuccinic acid semialdehydeME768832--4.96103.03884
Pyrrolidonecarboxylic acidPyroglutamic acidME768820--4.97130.04977
XanthineXanthineME768855--4.99153.04077
TriamtereneTriamtereneME768843--5.05254.11389
PhenylacetylglycinePhenylacetylglycineME768808--5.07194.07995
ADPADPME768690--5.08428.03614
L-PhenylalaninePhenylalanineME768768--5.12166.0863
IndoleIndoleME768746--5.13118.06504
1-Methyladenosine1-MethyladenosineME768653--5.14282.1195
L(-)-Nicotine pestanalNicotineME768754--5.17163.12305
ThymineThymineME768838--5.22127.05026
AdenosineAdenosineME768687--5.28268.10407
AdenineAdenineME768686--5.29136.0616
DeoxycytidineDeoxycytidineME768719--5.29228.09924
7-Methylguanine7-MethylguanineME768680--5.31166.07196
AspartameAspartameME768697--5.36295.12804
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME768788--5.39148.06146
o-Tyrosineo-TyrosineME768798--5.39182.08135
Beta-Alaninebeta-AlanineME768702--5.4390.05519
NormetanephrineNormetanephrineME768795--5.43184.09784
L-ProlineProlineME768769--5.45116.07056
Pipecolic acidPipecolic acidME768811--5.45130.08619
GlucosamineGlucosamineME768732--5.46180.08811
DeoxyadenosineDeoxyadenosineME768717--5.67252.10879
N-AcetyllactosamineN-AcetyllactosamineME768784--5.69384.15142
N-Acetylneuraminic acidN-Acetylneuraminic acidME768785--5.79310.11311
TyramineTyramineME768847--5.83138.09141
5'-Methylthioadenosine5'-MethylthioadenosineME768673--5.87298.09692
EpicatechinEpicatechinME768726--5.87291.08454
Methylmalonic acidMethylmalonic acidME768777--5.88119.03507
N-AcetylserotoninN-AcetylserotoninME768786--6.05219.11074
2-Methyl-3-ketovaleric acid2-Methyl-3-ketovaleric acidME768662--6.07131.07004
3-Methylindole3-MethylindoleME768667--6.14132.08069
L-Aspartyl-L-phenylalanineAsp-PheME768758--6.14281.11291
PhenylpropanolaminePhenylpropanolamineME768809--6.14152.10706
5-Methoxytryptophan5-MethoxytryptophanME768676--6.15235.10871
Ureidopropionic acidUreidopropionic acidME768850--6.24133.06133
Alpha-hydroxyhippuric acidalpha-Hydroxyhippuric acidME768692--6.43196.06039
p-OctopamineOctopamineME768800--6.46154.08644
Flavin mononucleotideFMNME768729--6.5457.1137
IsovalerylcarnitineCAR 4:0;3MeME768752--6.51246.17016
MelatoninMelatoninME768775--6.52233.12729
IsovalerylglycineIsovalerylglycineME768753--6.53160.09693
PyridoxinePyridoxineME768817--6.53170.07985
Indoleacrylic acidIndoleacrylic acidME768748--6.67188.0708
CortisolCortisolME768706--6.68363.21447
DCMPdCMPME768716--6.71308.06703
L-AlanineAlanineME768756--6.7290.0545
D-SerineD-SerineME768714--6.78106.04937
NADPHNADPHME768792--6.78746.09152
RiboflavinRiboflavinME768823--6.79377.14559
Hippuric acidHippuric acidME768739--6.95180.06558
Isopropyl alcoholIsopropanolME768751--7.0861.06484
BenzaldehydeBenzaldehydeME768700--7.1107.04936
PhenolPhenolME768805--7.1295.04938
5-Hydroxytryptophol5-HydroxytryptopholME768675--7.27178.08612
Taurodeoxycholic acidTaurodeoxycholic acidME768835--7.34500.3083
2-Pyrrolidinone2-PyrrolidinoneME768664--7.7886.06029
NaringeninNaringeninME768793--7.88273.07792
2,3-Butanediol2,3-ButanediolME768658--8.0491.07549
Isocaproic acidIsocaproic acidME768750--8.18117.09106
PutrescinePutrescineME768815--8.2389.10741
AcetoinAcetoinME768683--8.5789.05987
EthanolamineEthanolamineME768728--8.7162.06028
3a,6b,7b-Trihydroxy-5b-cholanoic acidbeta-Muricholic acidME768670--8.72409.29352
DigoxinDigoxinME768723--8.88781.44311
TryptophanolTryptophanolME768846--8.88162.09142
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME768782--8.9208.09643
L-NorleucineNorleucineME768767--9.07132.10191
UridineUridineME768852--9.1245.07572
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME768659--9.11105.06626
TolnaftateTolnaftateME768841--9.11308.11198
DaidzeinDaidzeinME768715--9.31255.0657
5-Methoxytryptophol5-MethoxytryptopholME768677--9.55192.10261
Indole-3-carbinolIndole-3-carbinolME768747--9.62148.07608
Traumatic acidTraumatic acidME768842--9.84229.14346


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