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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
Sebacic acidSebacic acidME575112--15.45102.06787
2-Ketobutyric acid3-Methyl pyruvic acidME574988--8.07103.0392
Valeric acidValeric acidME575131--7.65103.0754
CadaverineCadaverineME575019--1.62103.12313
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME574994--9.08104.07078
4-Aminophenol4-AminophenolME574998--1.86110.06021
PyrocatecholPyrocatecholME575104--8.93111.04429
CytosineCytosineME575036--3.21112.0505
UracilUracilME575125--2.39113.03453
CreatinineCreatinineME575032--1.71114.06626
L-ValineValineME575078--1.64118.08636
Succinic acidSuccinic acidME575118--7.39119.03525
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME574985--14.89119.08569
L-ThreonineThreonineME575076--8.96120.05582
ErythroseErythroseME575045--2.53121.03958
PhenylacetaldehydePhenylacetaldehydeME575097--16.16121.06503
Benzoic acidBenzoic acidME575017--5.21123.04427
NiacinamideNiacinamideME575089--3.31123.05514
Pyroglutamic acidPyroglutamic acidME575105--2.39130.04983
2-Ketohexanoic acid2-Ketocaproic acidME574989--7.87131.07031
N-AcetylputrescineN-AcetylputrescineME575086--1.71131.118
N-Acetyl-L-alanineN-AcetylalanineME575084--21.6132.06553
CreatineCreatineME575031--1.44132.07662
L-NorleucineNorleucineME575075--4.26132.10195
CinnamaldehydeCinnamaldehydeME575024--11.8133.06501
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME574987--8133.08594
L-Aspartic acidAspartic acidME575067--1.96134.04479
AdenineAdenineME575007--2.66136.06166
HypoxanthineHypoxanthineME575057--7.39137.04566
Urocanic acidUrocanic acidME575130--2.57139.05026
AlloxanAlloxanME575010--1.63143.00176
Cis,cis-Muconic acid-ME575026--2.26143.03243
3-Hexenedioic acid3-Hexenedioic acidME574995--2.56145.04943
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME575000--2.54146.09247
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME574984--7.87147.06528
L-GlutamineGlutamineME575071--1.38147.07587
L-Glutamic acidGlutamic acidME575070--3.2148.0603
Cinnamic acidtrans-Cinnamic acidME575025--7.6149.05967
L-MethionineMethionineME575074--2.29150.05845
4-Ethylbenzoic acid4-Ethylbenzoic acidME574999--11.81151.07549
GuanineGuanineME575055--7.39152.05664
OxypurinolOxypurinolME575093--4.48153.04064
L-HistidineHistidineME575072--1.69156.07686
2,5-Furandicarboxylic acid2,5-Furandicarboxylic acidME574986--1.63157.01736
TiglylglycineTiglylglycineME575121--1.84158.08129
SuccinylacetoneSuccinylacetoneME575119--10.2159.0653
DL-2-aminooctanoic acid2-Aminooctanoic acidME575041--2.29160.13322
GlucosamineGlucosamineME575048--1.76162.0762
L-CarnitineCarnitineME575068--1.23162.11255
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME574996--1.46163.05414
6-Dimethylaminopurine6-DimethylaminopurineME575003--2.16164.09182
m-Coumaric acidtrans-m-Coumaric acidME575079--5.22165.05464
2-Phenylbutyric acid2-Phenylbutyric acidME574990--15.43165.09131
BenzocaineBenzocaineME575016--7.61166.08615
Uric acidUric acidME575127--3.19169.03567
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME574993--3.56171.06277
Mevalonic acidMevalonic acidME575081--3.98171.06282
DL-a-glycerophosphate-ME575042--0.89173.01227
Cis-Aconitic acidcis-Aconitic acidME575027--1.61175.0277
L-ArginineArginineME575066--1.53175.11906
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME575085--1.85176.05549
CitrullineCitrullineME575028--1.58176.10194
SerotoninSerotoninME575113--7.81177.11211
GluconolactoneGluconolactoneME575047--1.85179.0487
o-Tyrosineo-TyrosineME575092--5.22182.08125
SorbitolSorbitolME575114--1.56183.08625
EpinephrineEpinephrineME575044--1.24184.09441
NormetanephrineNormetanephrineME575090--7.67184.09696
Indoleacrylic acidIndoleacrylic acidME575058--8.09188.0707
Glycyl-L-leucineGly-LeuME575053--7.65189.12374
Kynurenic acidKynurenic acidME575064--7.51190.04677
Homogentisic acidHomogentisic acidME575056--1.09191.04044
CaffeineCaffeineME575020--8.4195.08765
Salicyluric acidSalicyluric acidME575110--7.11196.05836
L-DopaDOPAME575069--1.9198.07391
Scyllitol-ME575111--1203.05272
SpermineSpermineME575115--7.06203.22315
L-AcetylcarnitineCAR 2:0ME575065--2.56204.12305
L-TryptophanTryptophanME575077--8.08205.09678
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME574981--7.39211.08269
Indoxyl sulfateIndoxyl sulfateME575059--1.79214.01137
N-AcetylserotoninN-AcetylserotoninME575087--8.26219.12259
Pantothenic acidPantothenic acidME575094--7.67220.11816
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME575002--7.41221.09233
N-Acetyl-D-glucosamineN-AcetylglucosamineME575083--1.74222.0974
CarnosineCarnosineME575021--1.67227.11415
1,11-Undecanedicarboxylic acidTridecanedioic acidME574979--12.54227.16423
Traumatic acidTraumatic acidME575122--13.12229.14858
L-KynurenineKynurenineME575073--7.67231.08398
NaproxenNaproxenME575088--7.67231.10206
BiopterinBiopterinME575018--2.71238.09173
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME574992--10.56239.08159
7,8-Dihydrobiopterin7,8-DihydrobiopterinME575004--1.58240.10792
SalbutamolSalbutamolME575109--9.23240.15001
ThymidineThymidineME575120--9.75243.08802
CytidineCytidineME575034--3.19244.09287
UridineUridineME575128--5.31245.07691
IsovalerylcarnitineCAR 4:0;3MeME575063--8.28246.1703
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME575103--3.28248.03192
DeoxyadenosineDeoxyadenosineME575038--1.65252.10812
DeoxyinosineDeoxyinosineME575039--1.56253.0838
Glycerophosphocholinesn-Glycero-3-phosphocholineME575051--1.09258.1104
RibothymidineRibothymidineME575106--2.41259.09261
Glucosamine 6-sulfateGlucosamine 6-sulfateME575049--1.68260.04468
AnserineAnserineME575012--3.42263.11016
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME575011--2.26265.11181
Elaidic acidElaidic acidME575043--16.83265.25314
InosineInosineME575060--7.39269.08813
ChlorpheniramineChlorphenamineME575022--7.88275.12983
SaccharopineSaccharopineME575108--1.36277.13724
1-Methyladenosine1-MethyladenosineME574983--5.38282.12001
AspartameAspartameME575013--8.23295.12928
5'-Methylthioadenosine5'-MethylthioadenosineME575001--7.9298.09718
SphingosineSphingosineME575117--17.94300.2904
SphinganineSphinganineME575116--14.96302.30601
GlutathioneGlutathioneME575050--1.82308.09141
Cytidine monophosphateCMPME575035--1.69324.05986
Uridine 5'-monophosphateUMPME575129--2325.04365
Cyclic AMP3',5' cyclic AMPME575033--6.22330.0602
Cortexolone11-DeoxycortisolME575029--16.56347.21288
Adenosine monophosphateAMPME575008--3.07348.07087
Inosinic acidIMPME575061--3.16349.05568
CortisolCortisolME575030--10.61363.2177
MaltitolMaltitolME575080--1.26367.12193
3b-Hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME574997--14.68375.29048
S-AdenosylhomocysteineS-AdenosylhomocysteineME575107--7.39385.12995
Nutriacholic acid7-Ketolithocholic acidME575091--13.7391.28557
Cholic acidCholic acidME575023--15.25409.29686
ADPADPME575009--1.98428.03799
1,3,5-Trimethoxybenzene1,3,5-TrimethoxybenzeneME574980--3.9957.03367
PropanalPropanalME575099--8.5659.04928
AcetoneAcetoneME575006--24.8359.04935
GuanidineAgmatineME575054--1.9560.04733
TrimethylamineTrimethylamineME575123--1.1760.08099
Acetic acidAcetic acidME575005--23.9361.0284
UreaUreaME575126--22.1461.03434
PC(16:0/16:0)PC 16:0/16:0ME575095--14.9734.5725
N,N-DimethylformamideN,N-DimethylformamideME575082--7.4274.06026
AzythromycinAzithromycinME575014--16.72749.50993
Propionic acidPropionic acidME575100--23.2775.0442
1-Butanol1-ButanolME574982--8.0575.08061
GlycineGlycineME575052--3.4676.0395
Trimethylamine N-oxideTrimethylamine N-oxideME575124--10.1776.07576
Propylene glycolPropylene glycolME575101--7.6577.05985
FADFADME575046--7.75786.16687
BenzeneBenzeneME575015--7.5879.05434
PyridinePyridineME575102--3.380.04962
2-Pyrrolidinone2-PyrrolidinoneME574991--10.6786.06023
DiacetylDiacetylME575040--9.0587.04417
Isobutyric acidIsobutyric acidME575062--8.8689.05968
D-AlanineD-AlanineME575037--1.3590.05493
PhenolPhenolME575096--16.1995.04926
Phosphoric acidPhosphoric acidME575098--1.698.97559


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