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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 acidME781572--8.57102.06772
DiethanolamineDiethanolamineME781506--10.23106.08627
CytosineCytosineME781503--3.59112.05042
UracilUracilME781579--3.4113.03448
L-ProlineProlineME781536--1.27116.07058
IndoleIndoleME781524--5.97118.06501
5-Aminopentanoic acid5-Aminopentanoic acidME781482--1.6118.08619
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME781471--13.6119.08565
PhenylacetaldehydePhenylacetaldehydeME781559--16.56121.06496
Benzoic acidBenzoic acidME781497--3.26123.04403
NiacinamideNiacinamideME781553--2.23123.05522
Nicotinic acidNicotinic acidME781554--2.17124.03923
Pyrrolidonecarboxylic acidPyroglutamic acidME781566--2.38130.04984
N-Acetyl-L-alanineN-AcetylalanineME781549--1.33132.0655
3-Methylindole3-MethylindoleME781479--5.97132.08073
L-LeucineLeucineME781532--3.26132.10191
L-NorleucineNorleucineME781534--9.16132.10198
CinnamaldehydeCinnamaldehydeME781499--13.27133.06484
Leucinic acidLeucinic acidME781540--6.46133.0859
2-Ethyl-2-hydroxybutyric acid2-Ethyl-2-hydroxybutyric acidME781472--6.18133.08591
Hydroxyisocaproic acidHydroxyisocaproic acidME781521--14.5133.08603
AdenineAdenineME781487--4.6136.06172
HypoxanthineHypoxanthineME781523--4.76137.04572
CoumarinCoumarinME781501--3.27147.04411
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME781552--1.2148.06055
L-Glutamic acidGlutamic acidME781531--5.03148.06058
Terephthalic acidTerephthalic acidME781577--20.08149.02343
L-MethionineMethionineME781533--2150.05829
2-Hydroxyadenine2-HydroxyadenineME781473--4.75152.05672
PyridoxinePyridoxineME781565--2.28152.07065
XanthineXanthineME781583--5.01153.04078
DopamineDopamineME781507--5.55154.08632
SuccinylacetoneSuccinylacetoneME781576--18.84159.06523
m-Coumaric acidtrans-m-Coumaric acidME781541--3.27165.0547
L-FucoseFucoseME781530--1.24165.07583
2-Phenylbutyric acid2-Phenylbutyric acidME781475--15.6165.09109
L-PhenylalaninePhenylalanineME781535--5.13166.08634
Uric acidUric acidME781581--2.5169.03185
5-Methoxysalicylic acid5-Methoxysalicylic acidME781483--10.23169.04308
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME781477--2.41171.06284
Mevalonic acidMevalonic acidME781547--4.41171.06285
Quinaldic acidQuinaldic acidME781568--2.28174.05837
Guanidinosuccinic acidGuanidinosuccinic acidME781517--10.15176.07068
D-Glucurono-6,3-lactoneGlucuronolactoneME781504--3.78177.03289
GluconolactoneGluconolactoneME781513--2.14179.04849
GlucosamineGlucosamineME781514--5.46180.08797
AspirinAspirinME781495--4.16181.0472
L-TyrosineTyrosineME781539--4.84182.08122
o-Tyrosineo-TyrosineME781556--5.34182.08127
MannitolMannitolME781543--1.24183.08635
GalactitolGalactitolME781511--1.93183.08636
EpinephrineEpinephrineME781509--5.51184.09804
Indoleacrylic acidIndoleacrylic acidME781525--5.97188.07066
5-Methoxytryptophol5-MethoxytryptopholME781484--9.67192.1022
Methylhippuric acidMethylhippuric acidME781545--5.54194.07884
3-Hydroxy-4-methoxycinnamic aicdIsoferulic acidME781478--5.52195.06285
SpermineSpermineME781573--0.79203.22309
L-AcetylcarnitineCAR 2:0ME781529--1.84204.12308
L-TryptophanTryptophanME781538--5.97205.09726
PhosphocreatinePhosphocreatineME781560--12.14212.03759
N-Acetylglutamic acidN-Acetylglutamic acidME781550--2.89212.05301
N-AcetylserotoninN-AcetylserotoninME781551--6.05219.1105
Pantothenic acidPantothenic acidME781557--5.51220.11816
7,8-Dihydrobiopterin7,8-DihydrobiopterinME781485--1.65240.10921
UridineUridineME781582--3.41245.07684
IsovalerylcarnitineCAR 4:0;3MeME781528--6.34246.17005
CarnosineCarnosineME781498--1.69249.09452
Glycerophosphocholinesn-Glycero-3-phosphocholineME781516--1.15258.11012
Propranolol-ME781563--5.25260.16042
AtenololAtenololME781496--2.12267.17036
AdenosineAdenosineME781488--4.6268.10398
MetoprololMetoprololME781546--11.51268.18841
InosineInosineME781526--4.76269.08814
L-ThyronineThyronineME781537--3.78274.10296
SaccharopineSaccharopineME781570--11.31277.14116
1-Methyladenosine1-MethyladenosineME781468--2.21282.11974
Elaidic acidElaidic acidME781508--17.94283.26337
GuanosineGuanosineME781518--4.75284.09898
XanthosineXanthosineME781584--5.01285.08313
SalicinSalicinME781571--5.31287.1064
AndrostenedioneAndrostenedioneME781493--9.16287.19684
AspartameAspartameME781494--5.27295.1276
5'-Methylthioadenosine5'-MethylthioadenosineME781481--5.81298.09682
SphingosineSphingosineME781575--13.13300.28989
SphinganineSphinganineME781574--11.29302.30547
GlutathioneGlutathioneME781515--2.15308.09106
Cyclic AMP3',5' cyclic AMPME781502--2.16330.06004
17-Hydroxyprogesterone17alpha-HydroxyprogesteroneME781469--19.45331.22475
Clotrimazole-ME781500--1.62345.10913
MaltitolMaltitolME781542--1.23345.13916
Adenosine monophosphateAMPME781490--2.13348.07039
2'-Deoxyguanosine 5'-monophosphatedGMPME781470--5.35348.0704
Guanosine monophosphateGMPME781520--3.78364.06333
2-Phenylaminoadenosine2-PhenylaminoadenosineME781474--10.96381.13087
S-AdenosylhomocysteineS-AdenosylhomocysteineME781569--4.11385.12895
Hyodeoxycholic acidHyodeoxycholic acidME781522--20.16393.29791
Pregnenolone sulfatePregnenolone sulfateME781561--13.26397.20114
3a,6b,7b-Trihydroxy-5b-cholanoic acidbeta-Muricholic acidME781480--7.42409.29251
Allocholic acidAllocholic acidME781492--13.38409.2952
Nutriacholic acid7-Ketolithocholic acidME781555--20.08413.26653
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME781489--2.18428.03673
Folic acidFolic acidME781510--6.15442.14723
Guanosine 5'-diphosphateGDPME781519--1.77444.03172
Adenosine triphosphateATPME781491--2.11508.00305
Gamma-Caprolactonegamma-CaprolactoneME781512--7.7158.04142
TrimethylamineTrimethylamineME781578--1.8560.08089
UreaUreaME781580--21.661.03974
PyruvaldehydePyruvaldehydeME781567--7.7373.02844
N,N-DimethylformamideN,N-DimethylformamideME781548--1.3474.06019
Propionic acidPropionic acidME781562--8.8375.04413
PyridinePyridineME781564--2.1780.04965
Methyl propenyl ketoneMethyl propenyl ketoneME781544--6.3385.06502
2-Pyrrolidinone2-PyrrolidinoneME781476--6.7686.06022
DiacetylDiacetylME781505--8.5987.04422
AcetoinAcetoinME781486--8.0189.05973
Isobutyric acidIsobutyric acidME781527--7.9389.05975
PhenolPhenolME781558--3.2595.04913


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