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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2,3-Trihydroxybenzene1,2,3-TrihydroxybenzeneME558717----
1-HexadecanolCetyl alcoholME558774----
2-Aminoheptanedioic acid-ME558756----
2-Deoxyglucose2-Deoxy-glucoseME558746----
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME558664----
2-Hydroxybutyric acid2-Hydroxybutyric acidME558659----
2-Isopropylmalic acid2-Isopropylmalic acidME558721----
2-Ketobutyric acid3-Methyl pyruvic acidME558653----
2-Phosphoglyceric acid2-Phosphoglyceric acidME558751----
3-Hydroxybutyric acid3-Hydroxybutyric acidME558662----
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME558667----
3-Phosphoglyceric acid3-Phosphoglyceric acidME558755----
3-Sulfinoalanine3-Sulfino-alanineME558738----
4-Hydroxyprolinecis-4-HydroxyprolineME558713----
5-Aminopentanoic acid5-Aminopentanoic acidME558729----
Acetoacetic acidAcetoacetic acidME558660----
Acetoacetic acid2Acetoacetic acidME558673----
AdenosineAdenosineME558801----
Adipic acidAdipic acidME558707----
Alpha-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME558650----
Alpha-ketoisovaleric acidKetoisovaleric acidME558655----
Azelaic acidAzelaic acidME558752----
Benzoic acidBenzoic acidME558675----
Beta-Alaninebeta-AlanineME558666----
Beta-Alanine2beta-AlanineME558701----
Beta-Glycerophosphoric acidsn-Glycero-2-phosphateME558742----
Capric acidCapric acidME558703----
Caproic acidCaproic acidME558652----
Caprylic acidCaprylic acidME558676----
cis-Aconitic acidcis-Aconitic acidME558745----
Citramalic acidCitramalic acidME558704----
Citric acidCitric acidME558757----
CytosineCytosineME558715----
D-Alpha-aminobutyric acid2R-Aminobutyric acidME558665----
D-ArabitolArabitolME558743----
D-GalactoseGalactoseME558767----
D-Galactose2GalactoseME558772----
D-GlucoseGlucoseME558768----
D-Glucose2GlucoseME558773----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME558741----
DihydroxyacetoneDihydroxyacetoneME558674----
DimethylglycineDimethylglycineME558646----
D-MaltoseMaltoseME558805----
D-Maltose2MaltoseME558809----
Dodecanoic acidLauric acidME558731----
D-RiboseRiboseME558736----
D-Ribose 5-phosphateRibose 5-phosphateME558786----
D-Ribose 5-phosphate2Ribose 5-phosphateME558788----
D-RibuloseD-RibuloseME558735----
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME558800----
D-TagatoseD-TagatoseME558761----
D-XyluloseL-RibuloseME558737----
Elaidic acidElaidic acidME558794----
ErythritolErythritolME558708----
EthanolamineEthanolamineME558647----
Ethanolamine2EthanolamineME558679----
Fumaric acidFumaric acidME558692----
Gamma-Aminobutyric acidgamma-Aminobutyric acidME558716----
Gluconic acidGluconic acidME558782----
GluconolactoneGluconolactoneME558765----
Glucose 6-phosphateGlucose 6-phosphateME558797----
Glucose 6-phosphate2Glucose 6-phosphateME558798----
Glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME558710----
Glutaric acidGlutaric acidME558698----
Glutathione-nTMSGlutathioneME558791----
Glyceric acidGlyceric acidME558690----
GlycerolGlycerolME558677----
Glycerol 3-phosphatesn-Glycero-3-phosphateME558749----
GlycineGlycineME558656----
Glycine2GlycineME558688----
Glycolic acidGlycolic acidME558651----
Heptadecanoic acidMargaric acidME558789----
HomocysteineHomocysteineME558733----
HydroquinoneHydroquinoneME558699----
HydroxylamineHydroxylamineME558658----
ISTD_Leucine-ME558681----
Itaconic acidItaconic acidME558694----
ITSD_Sorbitol-ME558778----
ITSD_Valine-ME558670----
KetoleucineKetoleucineME558668----
L-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME558719----
Labelled compound_Alanine-ME558654----
Labelled compound_glutamic acid-ME558727----
LactitolLactitolME558808----
L-ArginineArginineME558758----
L-AsparagineAsparagineME558734----
L-Aspartic acidAspartic acidME558711----
L-CysteineCysteineME558718----
L-Dihydroorotic acid4,5-Dihydroorotic acidME558753----
LevoglucosanGlucosanME558740----
L-HomoserineHomoserineME558702----
Linoleic acidLinoleic acidME558792----
L-IsoleucineIsoleucineME558683----
L-Lactic acidLactic acidME558649----
L-LeucineLeucineME558680----
L-LysineLysineME558771----
L-MethionineMethionineME558712----
L-PhenylalaninePhenylalanineME558730----
L-ProlineProlineME558686----
L-SerineSerineME558696----
L-SorboseSorboseME558766----
L-ThreonineThreonineME558697----
L-TyrosineTyrosineME558775----
L-ValineValineME558669----
Maleic acidMaleic acidME558685----
Malic acidMalic acidME558705----
MannitolMannitolME558776----
Methylsuccinic acidMethylsuccinic acidME558689----
MG(18:0e/0:0/0:0)MG O-18:0ME558803----
myo-InositolMyo-inositolME558787----
Myristic acidMyristic acidME558760----
N-Acetyl-D-glucosamineN-AcetylglucosamineME558785----
N-AcetylglutamineN-AcetylglutamineME558769----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME558732----
N-AcetylmannosamineN-Acetyl-mannosamineME558784----
N-AcetylputrescineN-AcetylputrescineME558750----
N-AcetylserineN-AcetylserineME558709----
NiacinamideNiacinamideME558706----
Nicotinic acidNicotinic acidME558684----
NorvalineNorvalineME558672----
OctadecanolStearyl alcoholME558790----
Oleic acidOleic acidME558793----
O-PhosphoethanolaminePhosphoethanolamineME558754----
OrnithineOrnithineME558726----
Ornithine2OrnithineME558759----
Orotic acidOrotic acidME558747----
Oxalic acidOxalic acidME558657----
Oxoglutaric acid2-Oxoglutaric acidME558720----
Palmitic acidPalmitic acidME558783----
Palmitoleic acidPalmitoleic acidME558780----
Pantothenic acidPantothenic acidME558779----
Pelargonic acidPelargonic acidME558695----
Phenyllactic acidPhenyllactic acidME558724----
Phenylpyruvic acidPhenylpyruvic acidME558722----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME558725----
Phosphoric acidPhosphoric acidME558682----
Pimelic acidPimelic acidME558723----
Psicose_1PsicoseME558762----
Psicose_2PsicoseME558763----
PutrescinePutrescineME558748----
PyrocatecholPyrocatecholME558691----
Pyroglutamic acidPyroglutamic acidME558714----
Pyruvic acidPyruvic acidME558648----
Pyruvic acid2Pyruvic acidME558661----
RhamnoseRhamnoseME558744----
(S)-3-Hydroxyisobutyric acid3-Hydroxyisobutyric acidME558663----
Sebacic acidSebacic acidME558764----
SorbitolSorbitolME558777----
Stearic acidStearic acidME558795----
StigmasterolStigmasterolME558799----
Suberic acidSuberic acidME558739----
Succinic acidSuccinic acidME558687----
SucroseSucroseME558802----
ThymineThymineME558700----
TrehaloseTrehaloseME558804----
TriethanolamineTriethanolamineME558728----
TryptamineTryptamineME558796----
UracilUracilME558693----
UreaUreaME558671----
Ureidosuccinic acidN-Carbamoylaspartic acidME558770----
XanthineXanthineME558781----


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