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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME46151610787C02814521803239
2-aminobutyric acid2-Aminobutyric acidME4615146657C02721285825130
2-hydroxybutanoic acid2-Hydroxybutyric acidME461512440864C05984258161131
2-hydroxyvaleric acid2-Hydroxyvaleric acidME46151198009-309587131
alpha-ketoglutarate2-Oxoglutaric acidME46150451C00026507392198
2-deoxytetronic acid3,4-Dihydroxybutyric acidME461513192742-390517117
3-hydroxybutyric acid3-Hydroxybutyric acidME46150992135C01089278829191
indole-3-propionic acid3-Indolepropionic acidME4614723744-732249202
4-hydroxybutyric acid4-Hydroxybutyric acidME46150810413C00989325027233
adipic acidAdipic acidME461507196C06104474435111
alanineAlanineME4615065950C00041243971116
alloxanoic acidAlloxanoic acidME46150594146-584472331
aminomalonateAminomalonic acidME461503100714C00872455754218
arachidic acidArachidic acidME46150210467C06425856421117
behenic acidBehenic acidME4615018215C08281920648117
benzoic acidBenzoic acidME461500243C00180339067179
beta-alaninebeta-AlanineME461499239C00099435564248
capric acidCapric acidME4614982969C01571451790229
caprylic acidCaprylic acidME461497379C06423343457201
citric acidCitric acidME461496311C00158617342273
citrullineCitrullineME4614959750C00327621404157
conduritol-beta-expoxideConduritol epoxideME4614949989541-701723318
creatineCreatineME461493--502071115
creatinineCreatinineME461492588C00791502599115
tagatoseD-TagatoseME461427439312C00795629499307
isothreonic acidD-Threonic acidME461469151152C00639489385292
erythritolErythritolME461491222285C00503471922217
fructoseFructoseME461490439709C02336639442307
fumaric acidFumaric acidME461489444972C00122392338245
gluconic acidGluconic acidME4614886857417C00800693148333
levoglucosanGlucosanME4614652724705-569637204
glucoseGlucoseME46148764689C00221657941319
glucose-1-phosphateGlucose 1-phosphateME46148665533C00103594647217
glucuronic acidGlucuronic acidME461485--665901333
glutamic acidGlutamic acidME46148433032C00025529100246
glutamineGlutamineME4614835961C00064600000156
glutaric acidGlutaric acidME461482743C00489421596261
glyceric acidGlyceric acidME461481439194C00258377495189
glycerolGlycerolME461480753C00116344466205
glycineGlycineME461478750C00037368707248
glycolic acidGlycolic acidME461477757C00160227215177
hydroxycarbamate NISTHydroxycarbamic acidME46147516639161-325318278
indole-3-acetateIndoleacetic acidME461474802C00954684929202
indole-3-lactateIndolelactic acidME46147392904C02043764586202
isoleucineIsoleucineME4614716306C00407359251158
isopropylbenzeneIsopropylbenzeneME461470--240619105
2-ketoisocaproic acidKetoleucineME46151070C0023331076189
lactic acidLactic acidME461468612C01432217657191
lyxitolL-ArabitolME461462439255C00532573587217
lauric acidLauric acidME4614673893C02679547906117
leucineLeucineME4614666106C00123346101158
linoleic acidLinoleic acidME4614645280450C01595777414150
lysineLysineME461463--662197174
maleic acidMaleic acidME461461444266C01384363611245
maleimideMaleimideME46146010935C07272245118154
malic acidMalic acidME461459525C00711463180233
maltoseMaltoseME461458439186C00208946601204
mannitolMannitolME4614576251C00392663215319
mannoseMannoseME46145618950C00159645856205
heptadecanoic acidMargaric acidME46147610465-751309117
methionineMethionineME4614556137C00073483560176
myo-inositolMyo-inositolME461454--727312305
myristic acidMyristic acidME46145311005C06424634414285
N-acetylornithineN-AcetylornithineME461452439232C00437697086174
N-acetylputrescineN-AcetylputrescineME461451122356C02714595523174
nicotinic acidNicotinic acidME461450--353428180
ornithineOrnithineME4614496262C00077594051174
oxalic acidOxalic acidME461448971C00209260513190
oxoprolineOxoprolineME4614477405C01879485935156
palmitic acidPalmitic acidME461446985C00249713809313
palmitoleic acidPalmitoleic acidME461445445638C08362706508311
pelargonic acidPelargonic acidME4614448158C01601399229117
pentadecanoic acidPentadecylic acidME46144313849C16537674647117
phenylalaninePhenylalanineME4614426140C00079537804218
phosphatePhosphoric acidME4614411004C00009345365314
phthalic acidPhthalic acidME4614401017C01606567345147
prolineProlineME461439145742C00148364523142
pseudo uridinePseudouridineME46143815047C02067813899217
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME46143712473C05942394886240
pyruvic acidPyruvic acidME4614361060C00022213805174
quinic acidQuinic acidME4614356508C00296632897345
ribonic acidRibonic acidME4614345460677C01685599680292
riboseRiboseME4614335779C00121553135217
salicylic acidSalicylic acidME461432338C00805480699267
serineSerineME4614315951C00065395020218
glycerol-alpha-phosphatesn-Glycero-3-phosphateME461479754C03189590747357
stearic acidStearic acidME4614305281C01530787622117
succinic acidSuccinic acidME4614291110C00042370608247
sucroseSucroseME4614285988C00089915139271
threitolThreitolME461426169019C16884467595217
threonic acidThreonic acidME4614255460407C01620497572292
threonineThreonineME4614246288C00188409568218
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4614235810C01157460662158
tryptophanTryptophanME4614226305C00078780482202
tyrosineTyrosineME4614216057C00082671252218
ureaUreaME4614201176C00086326574189
uric acidUric acidME4614191175C00366730691441
valineValineME4614186287C00183313502144
1-methylgalactose NIST-ME4615152108-664807204


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