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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-Butanetriol1,2,3-ButanetriolME460662----
1,3-Butanediol-ME460663----
1,3-Dioxolane-2-methanol-ME460664----
1,4-lactone, Allonic acid-ME460689----
1-Hydroxy-3-methoxy-6-methylanthraquinone-ME460666----
1-MonopalmitinMG 16:0/0:0/0:0ME460667----
2,5-Dimethoxymandelic acid-ME460669----
2-Deoxy-erythro-pentonic acid-ME460671----
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME460672----
2-Keto-d-gluconic acid2-Dehydro-D-gluconic acidME460673----
2-Ketoglutaric acid2-Oxoglutaric acidME460674----
2-Ketovaleric acid-ME460657----
2-methyl-Propanetriol-ME460777----
2-O-Glycerol-alpha-d-galactopyranoside-ME460675----
2-oxo-Propanoic acidPyruvic acidME460778----
2-PalmitoylglycerolMG 0:0/16:0/0:0ME460676----
2-pyrrolidinone2-PyrrolidinoneME460677----
4-Aminobutanoic acidgamma-Aminobutyric acidME460670----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME460678----
5-MethyluridineRibothymidineME460679----
6-Fluoro-alpha-methyltryptamine-ME460665----
Acetic acidAcetic acidME460682----
AdenineAdenineME460680----
AdenosineAdenosineME460684----
Adenosine-5'-monophosphateAMPME460685----
AdrenalineEpinephrineME460686----
AlanineAlanineME460661----
alpha-D-Mannopyranose-ME460660----
alpha-D-(+)-Talopyranose-ME460683----
alpha-Linolenic acidalpha-Linolenic acidME460794----
alpha-Methyl-L-tyrosineMetyrosineME460786----
Aminomalonic acidAminomalonic acidME460690----
AsparagineAsparagineME460691----
AucubinAucubinME460692----
beta-D-Fructofuranose phosphate-ME460702----
beta-Hydroxypyruvic acid-ME460795----
beta-L-Arabinopyranose-ME460797----
beta-L-(-)-Fucopyranose-ME460796----
Butanedioic acidSuccinic acidME460694----
Caffeic acidCaffeic acidME460696----
Citric acidCitric acidME460697----
CystathionineCystathionineME460698----
CysteineCysteineME460699----
D-2-Aminobutyric acid2R-Aminobutyric acidME460707----
DeoxyglucoseDeoxy-glucoseME460708----
D-(-)- Erythrofuranose-ME460700----
D-Erythrotetrofuranose-ME460709----
D-(-)-Fructofuranose-ME460701----
D-Fructose phosphate-ME460710----
D-(+)-GalactopyranoseGalactoseME460704----
D-GalactoseGalactoseME460711----
D-(+)-Galacturonic acidGalacturonic acidME460705----
Diisooctyl phthalateDiisooctyl phthalateME460714----
D-Mannopyranose phosphate-ME460717----
D-MannoseMannoseME460718----
D-(-)-Tagatofuranose-ME460703----
D-(+)-Talofuranose-ME460706----
D-XylopyranoseXyloseME460693----
D-XyloseXyloseME460719----
Erythronic acidErythronic acidME460668----
Ethanimidic acid-ME460720----
Ethyl .alpha.-D-glucopyranoside-ME460721----
FormamideFormamideME460722----
Fumaric acidFumaric acidME460723----
Galactaric acidGalactaric acidME460724----
Gallic acidGallic acidME460725----
Gluconic acidGluconic acidME460726----
GlucopyranoseGlucoseME460712----
Glucopyranose phosphate-ME460713----
Glucuronic acidGlucuronic acidME460727----
Glyceric acidGlyceric acidME460728----
GlycerolGlycerolME460729----
Glycerol-3-phosphatesn-Glycero-3-phosphateME460732----
Glycerol monostearate-ME460731----
Glyceryl-glycoside-ME460733----
GlycineGlycineME460734----
GuanineGuanineME460735----
GuanosineGuanosineME460736----
Gulonic acidGulonic acidME460737----
HypoxanthineHypoxanthineME460681----
InosineInosineME460738----
IsoxanthopterinIsoxanthopterinME460739----
Lactic acidLactic acidME460742----
LanthionineLanthionineME460743----
L-(-)-ArabitolL-ArabitolME460740----
L-Aspartic acidAspartic acidME460744----
LevoglucosanGlucosanME460745----
L-fucoseFucoseME460746----
L-Glutamic acidGlutamic acidME460747----
l-GlutamineGlutamineME460748----
L-HistidineHistidineME460749----
L-Homocystine, [S-(R*,R*)]--ME460750----
L-HomoserineHomoserineME460751----
L-IsoleucineIsoleucineME460752----
L-LeucineLeucineME460753----
L-LysineLysineME460754----
L-ProlineProlineME460755----
L-(+)-Tartaric acidTartaric acidME460741----
L-Threitol-ME460756----
L-Threonic acidThreonic acidME460757----
L-threonineThreonineME460758----
L-TryptophanTryptophanME460759----
LyxoseLyxoseME460760----
Malic acidMalic acidME460695----
MannitolMannitolME460761----
meso-ErythritolErythritolME460762----
Methyl galactosideMethyl beta-D-galactosideME460763----
Methylmaleic acidCitraconic acidME460765----
Methyl phosphateMethanolphosphateME460764----
Monostearin-ME460730----
Myo-InositolMyo-inositolME460767----
Myoinositol 1-phosphate-ME460766----
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME460768----
N-alpha-Acetyl-L-LysineN(2)-AcetyllysineME460658----
N-Methyl-L-prolinol-ME460769----
N-methyl-N-methoxycarbonyl-, hexyl ester, Alanine-ME460687----
N-methyl-N-methoxycarbonyl-, undecyl ester, Alanin...-ME460688----
OleamideOleamideME460770----
Oleanitrile-ME460771----
OrnithineOrnithineME460715----
Oxalic acidOxalic acidME460772----
Palmitic AcidPalmitic acidME460773----
PhenylalaninePhenylalanineME460716----
PhenylpropanolaminePhenylpropanolamineME460774----
Phthalic acidPhthalic acidME460775----
Pipecolic acidPipecolic acidME460776----
Propanedioic acidMalonic acidME460659----
Pseudo uridinePseudouridineME460779----
PutrescinePutrescineME460780----
Pyroglutamic acidPyroglutamic acidME460781----
RibitolRibitolME460782----
SerineSerineME460783----
trans-9-Octadecenoic acidElaidic acidME460784----
TyrosineTyrosineME460785----
UracilUracilME460787----
UreaUreaME460788----
Uric acidUric acidME460789----
UridineUridineME460790----
Uridine-5'-monophosphateUMPME460791----
ValineValineME460792----
XylitolXylitolME460793----


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-Ethenediol-ME460803----
1,3-Butanediol-ME460804----
1-ethyl-1-(2-methylpropyl)-Hydrazine-ME460876----
1-Isobutylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila...-ME460805----
1-MonopalmitinMG 16:0/0:0/0:0ME460806----
2,5-Dimethoxymandelic acid-ME460808----
2-deoxy-D-Erythro-Pentopyranose-ME460846----
(2-Ethoxyethoxy)acetic acid-ME460802----
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME460810----
2-Keto-d-gluconic acid2-Dehydro-D-gluconic acidME460811----
2-PalmitoylglycerolMG 0:0/16:0/0:0ME460812----
2-pyrrolidinone2-PyrrolidinoneME460813----
4-Aminobutanoic acidgamma-Aminobutyric acidME460809----
5-Aminovaleric acid5-Aminopentanoic acidME460814----
5-MethyluridineRibothymidineME460815----
Acetic acidAcetic acidME460818----
AdenineAdenineME460816----
AdrenalineEpinephrineME460820----
Ala-beta-Ala-ME460821----
AlanineAlanineME460801----
AlanylglycineAla-GlyME460824----
alpha-D-Mannopyranose-ME460800----
alpha-D-(+)-Talopyranose-ME460819----
alpha-Methyl-L-tyrosineMetyrosineME460927----
Aminomalonic acidAminomalonic acidME460825----
AmmelideAmmelideME460826----
AsparagineAsparagineME460827----
AtenololAtenololME460828----
AucubinAucubinME460829----
b-Aminoisobutyric acid-ME460830----
Bis[2-(trimethylsilyloxy)ethyl] Ether-ME460832----
Butanedioic acidSuccinic acidME460833----
CadaverineCadaverineME460835----
Citric acidCitric acidME460836----
CitrullineCitrullineME460837----
CystathionineCystathionineME460838----
CysteineCysteineME460839----
CytidineCytidineME460840----
DeoxyglucoseDeoxy-glucoseME460844----
DeoxyguanosineDeoxyguanosineME460845----
D-Galactofuranose phosphate-ME460847----
D-GalactoseGalactoseME460848----
D-(+)-Galacturonic acidGalacturonic acidME460843----
D-GlucitolSorbitolME460849----
Diisooctyl phthalateDiisooctyl phthalateME460852----
D-(-)-Lyxofuranose-ME460841----
D-MannoseMannoseME460855----
D-Psicofuranos-ME460856----
D-SorbitolSorbitolME460857----
D-(-)-Tagatofuranose-ME460842----
D-XylopyranoseXyloseME460831----
D-XyloseXyloseME460858----
Erythronic acidErythronic acidME460807----
Ethyl .alpha.-D-glucopyranoside-ME460859----
Ethyl phosphoric acid-ME460860----
FormamideFormamideME460861----
Fumaric acidFumaric acidME460862----
Galactaric acidGalactaric acidME460863----
Gallic acidGallic acidME460864----
GlucopyranoseGlucoseME460850----
Glucopyranose phosphate-ME460851----
GlucosamineGlucosamineME460865----
Glyceric acidGlyceric acidME460866----
GlycerolGlycerolME460867----
Glycerol-3-phosphatesn-Glycero-3-phosphateME460870----
Glycerol monostearate-ME460869----
Glyceryl-glycoside-ME460871----
GlycineGlycineME460872----
GuanineGuanineME460873----
GuanosineGuanosineME460874----
Gulonic acidGulonic acidME460875----
HypoxanthineHypoxanthineME460817----
InosineInosineME460877----
Isoleucine methyl ester-ME460878----
IsoxanthopterinIsoxanthopterinME460879----
Lactic acidLactic acidME460881----
L-Aspartic acidAspartic acidME460882----
Leu-GlyLeu-GlyME460883----
LevodopaDOPAME460884----
L-fucoseFucoseME460885----
L-Glutamic acidGlutamic acidME460886----
l-GlutamineGlutamineME460887----
L-HistidineHistidineME460888----
L-Homocystine, [S-(R*,R*)]--ME460889----
L-HomoserineHomoserineME460890----
L-IsoleucineIsoleucineME460891----
L-LeucineLeucineME460892----
L-LysineLysineME460893----
L-MethionineMethionineME460894----
L-NorleucineNorleucineME460895----
L-ProlineProlineME460898----
L-(+)-Tartaric acidTartaric acidME460880----
L-threonineThreonineME460899----
L-TryptophanTryptophanME460900----
L-Valyl-L-leucineVal-LeuME460901----
LyxoseLyxoseME460902----
Malic acidMalic acidME460834----
MannitolMannitolME460903----
meso-ErythritolErythritolME460904----
Methyl galactosideMethyl beta-D-galactosideME460905----
Methyl phosphateMethanolphosphateME460906----
Mevalonic acidMevalonic acidME460924----
Monostearin-ME460868----
Myo-InositolMyo-inositolME460908----
Myoinositol 1-phosphate-ME460907----
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME460909----
N-alpha-Acetyl-L-LysineN(2)-AcetyllysineME460798----
N-ethoxycarbonyl-, nonyl ester, L-Norvaline-ME460897----
N-methoxycarbonyl-, isohexyl ester, L-Norleucine-ME460896----
N-Methyl-L-prolinol-ME460910----
N-methyl-n-butoxycarbonyl-, octyl ester, Alanine-ME460822----
N-methyl-N-methoxycarbonyl-, undecyl ester, Alanin...-ME460823----
NorephedrinePhenylpropanolamineME460911----
OrnithineOrnithineME460853----
Oxalic acidOxalic acidME460912----
Palmitic AcidPalmitic acidME460913----
PhenylalaninePhenylalanineME460854----
PhenylpropanolaminePhenylpropanolamineME460914----
Pipecolic acidPipecolic acidME460915----
Propanedioic acidMalonic acidME460799----
Pseudo uridinePseudouridineME460916----
PutrescinePutrescineME460917----
Pyroglutamic acidPyroglutamic acidME460918----
RibitolRibitolME460919----
Ribonic acidRibonic acidME460920----
SerineSerineME460921----
ThymineThymineME460922----
trans-9-Octadecenoic acidElaidic acidME460923----
TyramineTyramineME460925----
TyrosineTyrosineME460926----
UracilUracilME460928----
UreaUreaME460929----
UridineUridineME460930----
ValineValineME460931----
Val-ValVal-ValME460932----


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