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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
L-NorleucineNorleucineME639249--10.94132.10181
Indoleacetic acidIndoleacetic acidME639240--12.04176.07087
SphingosineSphingosineME639281--13.31282.27929
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME639268--13.72786.60257
BenzaldehydeBenzaldehydeME639221--13.95107.04938
Benzoic acidBenzoic acidME639222--14.28123.04638
PC(16:0/16:0)PC 16:0/16:0ME639267--14.81734.56974
CadaverineCadaverineME639223--15.05103.12326
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME639210--15.39104.07088
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME639206--16.29133.08644
DiacetylDiacetylME639226--16.3387.04393
Isobutyric acidIsobutyric acidME639244--16.3489.05945
AndrosteroneAndrosteroneME639219--17.35291.23245
2-Phenylbutyric acid2-Phenylbutyric acidME639207--17.42165.09137
PhenylacetaldehydePhenylacetaldehydeME639269--17.42121.06524
SaccharopineSaccharopineME639277--1.79277.13701
Elaidic acidElaidic acidME639227--19.58283.2638
SuccinylacetoneSuccinylacetoneME639283--20.33159.0652
PA(16:0/16:0)PA 16:0/16:0ME639265--20.43649.47771
SpermineSpermineME639280--2.08203.22313
Nutriacholic acid7-Ketolithocholic acidME639263--21.21413.26746
Terephthalic acidTerephthalic acidME639285--21.21149.02341
Hyodeoxycholic acidHyodeoxycholic acidME639237--21.28393.29772
1,3-Diaminopropane1,3-DiaminopropaneME639205--2.1475.09174
Propionic acidPropionic acidME639271--22.7675.04417
N-AcetylputrescineN-AcetylputrescineME639259--2.81131.11786
L-CarnitineCarnitineME639247--2.93162.11257
GlycerolGlycerolME639229--3.2293.05484
Glycerophosphocholinesn-Glycero-3-phosphocholineME639230--3.29258.11024
Adipic acidAdipic acidME639218--3.36147.06523
RhamnoseRhamnoseME639275--3.4165.07583
SorbitolSorbitolME639279--3.42183.08636
MaltitolMaltitolME639254--3.44345.13942
GlutathioneGlutathioneME639228--3.45308.09126
3-Hexenedioic acid3-Hexenedioic acidME639211--3.49145.04942
L-AcetylcarnitineCAR 2:0ME639245--3.49204.12314
Adenosine monophosphateAMPME639217--3.56348.07057
NiacinamideNiacinamideME639262--3.62123.05523
PyridinePyridineME639272--3.6480.04956
Inosinic acidIMPME639243--3.69349.05659
Guanosine monophosphateGMPME639235--3.71364.06563
N-Acetyl-L-alanineN-AcetylalanineME639258--3.8132.06555
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME639209--3.82171.06273
Threonic acidThreonic acidME639286--3.83137.04562
Succinic acidSuccinic acidME639282--3.85119.03528
4-Deoxytetronic acid-ME639212--3.8687.04424
Pyroglutamic acidPyroglutamic acidME639274--3.86130.04989
Mevalonic acidMevalonic acidME639256--3.88149.08079
Tartaric acidTartaric acidME639284--3.99151.0212
m-Coumaric acidtrans-m-Coumaric acidME639253--4.71165.05463
2-Pyrrolidinone2-PyrrolidinoneME639208--4.8286.06006
o-Tyrosineo-TyrosineME639264--4.89182.08137
N,N-DimethylformamideN,N-DimethylformamideME639257--5.1174.06002
L-Glutamic acidGlutamic acidME639248--5.23148.06043
GlycineGlycineME639231--5.9676.03957
S-AdenosylhomocysteineS-AdenosylhomocysteineME639276--5.99385.12944
AdenineAdenineME639216--6.18136.06178
DeoxyguanosineDeoxyguanosineME639225--6.18268.10415
SepiapterinSepiapterinME639278--6.19238.08966
Guanosine 5'-diphosphateGDPME639234--6.2444.03225
L-ArginineArginineME639246--6.25175.11919
GuanineGuanineME639232--6.34152.05677
GuanosineGuanosineME639233--6.34284.09914
HypoxanthineHypoxanthineME639238--6.35137.04569
InosineInosineME639242--6.35269.08849
PyridoxalPyridoxalME639273--6.41168.06194
L-ProlineProlineME639251--6.61116.07088
Cinnamic acidtrans-Cinnamic acidME639224--6.71149.05979
L-PhenylalaninePhenylalanineME639250--6.71166.08626
PhenylacetylglycinePhenylacetylglycineME639270--6.8194.07882
AspartameAspartameME639220--6.81295.12801
Hydroxyisocaproic acidHydroxyisocaproic acidME639236--7.02133.08583
Pantothenic acidPantothenic acidME639266--7.1220.11802
5-Methoxytryptophan5-MethoxytryptophanME639214--7.17235.10531
5'-Methylthioadenosine5'-MethylthioadenosineME639213--7.38298.09649
Uric acidUric acidME639287--7.5169.0317
IndoleIndoleME639239--7.54118.06504
Indoleacrylic acidIndoleacrylic acidME639241--7.54188.07047
L-TryptophanTryptophanME639252--7.54205.09704
NeopterinNeopterinME639261--7.68254.08476
N-AcetylserotoninN-AcetylserotoninME639260--7.74219.11075
AcrylamideAcrylamideME639215--8.1472.04421
MelatoninMelatoninME639255--8.14233.12634
Xanthurenic acidXanthurenic acidME639288--8.25206.04521


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