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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
2-Ketobutyric acid3-Methyl pyruvic acidME574901--8.9103.03923
Valeric acidValeric acidME574978--8.39103.07568
CadaverineCadaverineME574916--10.73103.12333
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME574906--10.15104.07095
UracilUracilME574975--7.43113.03449
IndoleIndoleME574935--8.7118.06523
Succinic acidSuccinic acidME574974--7.69119.03529
PhenylacetaldehydePhenylacetaldehydeME574959--17.23121.06536
NiacinamideNiacinamideME574954--7.4123.05537
Pyroglutamic acidPyroglutamic acidME574966--7.5130.04987
2-Ketohexanoic acid2-Ketocaproic acidME574902--16.09131.07092
N-Acetyl-L-alanineN-AcetylalanineME574952--22.51132.06557
CreatineCreatineME574920--3.07132.07671
L-NorleucineNorleucineME574945--5.65132.10194
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME574900--10.36133.08632
L-Aspartic acidAspartic acidME574942--4.02134.04475
AdenineAdenineME574911--7.67136.06165
HypoxanthineHypoxanthineME574934--7.82137.04567
Phenylacetic acidPhenylacetic acidME574960--12.84137.05978
3-Hexenedioic acid3-Hexenedioic acidME574907--3.79145.04948
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME574899--8.68147.06514
L-Glutamic acidGlutamic acidME574944--7.41148.06042
Cinnamic acidtrans-Cinnamic acidME574919--8.16149.05978
GuanineGuanineME574929--7.8152.05668
L-CarnitineCarnitineME574943--3.02162.11253
L(-)-Nicotine pestanalNicotineME574940--7.38163.12304
m-Coumaric acidtrans-m-Coumaric acidME574947--6165.05473
RhamnoseRhamnoseME574967--7.92165.07585
2-Phenylbutyric acid2-Phenylbutyric acidME574903--17.22165.09138
BenzocaineBenzocaineME574915--8.16166.08629
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME574905--7.39171.06282
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME574953--4.06176.05543
o-Tyrosineo-TyrosineME574957--6.08182.0813
SorbitolSorbitolME574970--3.75183.08641
NormetanephrineNormetanephrineME574955--8.41184.09692
Indoleacrylic acidIndoleacrylic acidME574936--8.71188.07068
Methylhippuric acidMethylhippuric acidME574950--8.21194.07885
CaffeineCaffeineME574917--9.25195.0876
GuaifenesinGuaifenesinME574928--9.68199.09434
SpermineSpermineME574971--1.91203.22315
L-AcetylcarnitineCAR 2:0ME574941--3.8204.12307
L-TryptophanTryptophanME574946--8.7205.09729
PhosphocreatinePhosphocreatineME574961--3.66212.04314
Pantothenic acidPantothenic acidME574958--8.4220.1181
CytidineCytidineME574922--3.81244.09285
UridineUridineME574977--7.37245.07682
IsovalerylcarnitineCAR 4:0;3MeME574939--8.94246.17011
Glycerophosphocholinesn-Glycero-3-phosphocholineME574927--3.46258.11018
InosineInosineME574937--7.81269.08799
SaccharopineSaccharopineME574969--14.56277.1413
GuanosineGuanosineME574930--7.8284.099
5'-Methylthioadenosine5'-MethylthioadenosineME574909--8.55298.09695
SphingosineSphingosineME574973--19.63300.29019
SphinganineSphinganineME574972--13.65302.30557
GlutathioneGlutathioneME574925--4.07308.09108
Cyclic AMP3',5' cyclic AMPME574921--7.82330.06
MaltitolMaltitolME574948--3.8345.13921
MedroxyprogesteroneMedroxyprogesteroneME574949--19.92345.24047
Adenosine monophosphateAMPME574912--4.26348.07029
Guanosine monophosphateGMPME574932--4.87364.0653
3b-Hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME574908--16.43375.2898
S-AdenosylhomocysteineS-AdenosylhomocysteineME574968--7.51385.12898
Nutriacholic acid7-Ketolithocholic acidME574956--15.52391.28466
Hyodeoxycholic acidHyodeoxycholic acidME574933--21.59393.29808
Cholic acidCholic acidME574918--20.92409.2928
ADPADPME574914--7.4428.03672
Guanosine 5'-diphosphateGDPME574931--7.39444.03169
Adenylsuccinic acidAdenylsuccinic acidME574913--8.03464.08134
UreaUreaME574976--22.8161.03975
AcrylamideAcrylamideME574910--9.2272.04433
N,N-DimethylformamideN,N-DimethylformamideME574951--7.374.06014
Propionic acidPropionic acidME574963--0.3175.04424
Propylene glycolPropylene glycolME574964--8.477.05979
PyridinePyridineME574965--4.3280.0496
2-Pyrrolidinone2-PyrrolidinoneME574904--19.7986.06019
DiacetylDiacetylME574924--8.487.04427
Isobutyric acidIsobutyric acidME574938--10.0789.05968
D-AlanineD-AlanineME574923--3.0490.05504
GlycerolGlycerolME574926--3.3293.0548
Phosphoric acidPhosphoric acidME574962--3.5798.98443


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