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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 acidME549396--7.24197.06706
1-Methyladenosine1-MethyladenosineME549397--3.68282.12012
2,5-Furandicarboxylic acid2,5-Furandicarboxylic acidME549398--1.59157.01736
2-Pyrrolidinone2-PyrrolidinoneME549399--19.3586.06019
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME549400--9.58239.09153
3,5-Dimethoxyphenol-ME549401--9.65155.07039
3-Indolepropionic acid3-Indolepropionic acidME549402--11.48190.08648
3-Methylindole3-MethylindoleME549403--7.39132.08088
3-Methylxanthine3-MethylxanthineME549404--6.39167.05632
4-Aminophenol4-AminophenolME549405--7.33110.06001
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME549407--6.52192.06563
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME549406--6.78221.0921
9-Methyluric acid9-Methyluric acidME549408--6.4183.0514
AcetaminophenAcetaminophenME549409--7.33152.07062
Acetaminophen glucuronidep-AcetamidophenylglucuronideME549410--6.51328.10331
Acetic acidAcetic acidME549411--1.5561.0288
AcetoneAcetoneME549412--22.1359.04922
Adenosine monophosphateAMPME549413--3.51348.071
AllantoinAllantoinME549414--1.56159.05029
Alpha-ketoisovaleric acidKetoisovaleric acidME549415--7.39117.05733
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME549416--8.44265.11847
AnilineAnilineME549417--6.5494.0653
AspartameAspartameME549418--7.84295.12904
Azelaic acidAzelaic acidME549419--18.53189.11234
BenzaldehydeBenzaldehydeME549420--6.57107.04905
BenzocaineBenzocaineME549421--7.84166.08641
Benzoic acidBenzoic acidME549422--4.51123.04403
CadaverineCadaverineME549423--18.54103.12306
CaffeineCaffeineME549424--8.13195.08772
ChlorpheniramineChlorphenamineME549425--16275.13445
Cinnamic acidtrans-Cinnamic acidME549426--6.57149.05973
Cis-Aconitic acidcis-Aconitic acidME549427--1.58175.02724
CortisolCortisolME549428--11.16363.21765
CreatineCreatineME549429--2.77114.06626
CytosineCytosineME549430--3.47112.05063
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME549431--13.5450.32297
DL-2-aminooctanoic acid2-Aminocaprylic acidME549432--8.24160.13346
Elaidic acidElaidic acidME549433--19.39283.26357
EthanolamineEthanolamineME549434--15.362.06015
GlucosamineGlucosamineME549435--6.9180.08806
Glycerophosphocholinesn-Glycero-3-phosphocholineME549436--3.15258.11031
GlycineGlycineME549437--3.3776.03937
Glycocholic acidGlycocholic acidME549438--12.13466.31826
GuanidineAgmatineME549439--1.5460.05282
Hippuric acidHippuric acidME549440--8.53202.04765
Homoveratric acidHomoveratric acidME549441--11.16197.08095
HypoxanthineHypoxanthineME549442--6.19137.0457
IndoleIndoleME549443--7.39118.06509
Indoleacetic acidIndoleacetic acidME549444--10.62176.07078
Indolelactic acidIndolelactic acidME549445--9.83206.08139
Inosinic acidIMPME549446--3.66349.05551
Isobutyric acidIsobutyric acidME549447--11.8189.05981
IsovalerylcarnitineCAR 4:0;3MeME549448--7.78246.17011
Kynurenic acidKynurenic acidME549449--8.03190.05023
L-AcetylcarnitineCAR 2:0ME549450--3.43204.12318
L-ArginineArginineME549451--1.71175.11881
L-CarnitineCarnitineME549452--2.7162.11254
L-GlutamineGlutamineME549453--8.44129.06587
L-HistidineHistidineME549454--1.67156.07694
L-KynurenineKynurenineME549455--6.52209.09224
L-MethionineMethionineME549456--3.48150.05842
L-NorleucineNorleucineME549457--4.49132.10193
L-PhenylalaninePhenylalanineME549458--6.56166.08624
L-ProlineProlineME549459--3.17116.0707
L-TryptophanTryptophanME549460--7.39205.09723
L-ValineValineME549461--2.79118.08634
m-Coumaric acidtrans-m-Coumaric acidME549462--4.48165.05465
N-AcetylputrescineN-AcetylputrescineME549463--19.78131.11792
N-AcetylserotoninN-AcetylserotoninME549464--8.44219.11263
NiacinamideNiacinamideME549466--3.62123.05533
N-MethylhydantoinN-MethylhydantoinME549465--7.39115.05424
NormetanephrineNormetanephrineME549467--2.41184.09458
Nutriacholic acid7-Ketolithocholic acidME549468--21.1413.26775
o-Tyrosineo-TyrosineME549469--6.98182.08085
Oxalacetic acidOxaloacetic acidME549470--1.5967.01239
OxypurinolOxypurinolME549471--4.41153.04079
Pantothenic acidPantothenic acidME549472--6.94220.11813
Paracetamol sulfateParacetamol sulfateME549473--7.46232.02754
ParaxanthineParaxanthineME549474--7.44181.07207
PC(16:0/16:0)PC 16:0/16:0ME549475--19.7734.57186
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME549476--13.28786.60306
Phenylpropiolic acidPhenylpropiolic acidME549477--4.49147.04417
Phosphoric acidPhosphoric acidME549478--3.3598.98295
Pipecolic acidPipecolic acidME549479--3.38130.08634
PropanalPropanalME549480--12.859.04918
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME549481--0.4248.03421
Pyroglutamic acidPyroglutamic acidME549482--8.44130.04989
Quinaldic acidQuinaldic acidME549483--11.26174.05511
SepiapterinSepiapterinME549484--10.15238.08988
SerotoninSerotoninME549485--4.47177.10243
SphingosineSphingosineME549486--18.86300.2903
Succinic acidSuccinic acidME549487--3.77119.03523
SuccinylacetoneSuccinylacetoneME549488--20.21159.06513
ThyroxineThyroxineME549489--11.63777.6969
TrimethylamineTrimethylamineME549490--7.9360.08087
UreaUreaME549491--16.8661.03887
Ureidosuccinic acidN-Carbamoylaspartic acidME549492--14.25177.05479
Uric acidUric acidME549493--3.94169.03556
UridineUridineME549494--14.25245.07869


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