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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
butane-2,3-diol NIST2,3-ButanediolME307513262C03046205778117
2-methylglyceric acid NIST2,3-Dihydroxyisobutyric acidME307536560781-372491219
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME30753823368901-397526241
2-hydroxyglutaric acid2-Hydroxyglutaric acidME30753743C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME30752151C00026507392198
butyrolactam NIST2-PyrrolidinoneME30751212025-277199142
3-aminoisobutyric acid3-Aminoisobutanoic acidME30753564956C05145455267248
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME3075341662C03761521554247
3-phosphoglycerate3-Phosphoglyceric acidME307533724C00597610734227
4-aminobutyric acid4-Aminopentanoic acidME307532119C00334488730304
5-methoxytryptamine5-MethoxytryptamineME307530--857675174
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME307531439176C00170967036236
adenineAdenineME307528190C00147646534264
adenosineAdenosineME30752760961C00212918039236
alanine-alanineAla-AlaME307523--523110116
alanineAlanineME3075245950C00041244189116
allothreonineAllothreonineME307522--413115117
aminomalonateAminomalonic acidME307520100714C00872455754218
adenosine-5-monophosphateAMPME3075266083C000201041375315
arachidic acidArachidic acidME30751910467C06425856421117
asparagineAsparagineME3075186267C00152553078188
aspartic acidAspartic acidME3075175960C00049480387232
biphenylBiphenylME307514--426625154
N-carbamylglutamateCarglumic acidME307458121396C05829651275257
aconitic acidcis-Aconitic acidME307529643757C00417586815229
citric acidCitric acidME307511311C00158617342273
citrullineCitrullineME3075109750C00327621404157
cytidine-5-monophosphateCMPME307506--700635243
conduritol-beta-epoxideConduritol epoxideME3075099989541-675635318
cysteine-glycineCys-GlyME307507439498C01419715335220
cysteineCysteineME3075085862C00097500158220
isothreonic acidD-Threonic acidME307472151152C00639489385292
adrenalineEpinephrineME307525--678907116
ergosterolErgosterolME307505444679C016941100305363
ethanol phosphate NISTEthylphosphateME307504--317291211
fructoseFructoseME307503439709C02336641863307
fructose-6-phosphateFructose 6-phosphateME307502440641C05345804279315
fumaric acidFumaric acidME307501444972C00122392338245
galactinolGalactinolME30750011727586C012351017580204
galactoseGalactoseME307499439357C00984648756319
glycerol-3-galactosideGalactosylglycerolME30749016048618C05401800205204
gluconic acidGluconic acidME3074986857417C00800693148333
levoglucosanGlucosanME3074672724705-569637204
glucoseGlucoseME30749764689C00221650867319
glucose-1-phosphateGlucose 1-phosphateME30749665533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME3074955958C00092818275387
glutamic acidGlutamic acidME30749433032C00025529100246
glutamineGlutamineME3074935961C00064600315156
glyceric acidGlyceric acidME307492439194C00258377495189
glycerolGlycerolME307491753C00116344466205
glycineGlycineME307488750C00037368707248
glycolic acidGlycolic acidME307487757C00160227636177
glycyl-prolineGly-ProME3074853013625-691662174
glycyl tyrosineGly-TyrME30748692829-922071174
guanineGuanineME307484764C00242744307352
guanosineGuanosineME3074836802C00387954962324
hexose-6-phosphateHexose 6-phosphateME307481208C02965806282387
histidineHistidineME3074806274C00135664395154
homoserineHomoserineME30747912647C00263443878218
hydroxycarbamate NISTHydroxycarbamic acidME30747816639161-325948278
hydroxylamineHydroxylamineME307477787C00192255241146
inosineInosineME3074766021C00294897434230
inositol-4-monophosphateInositol 4-phosphateME307475440043C03546845976315
isocitric acidIsocitric acidME3074745318532C00451617338245
isoleucineIsoleucineME3074736306C00407359251158
lactic acidLactic acidME307471612C01432217657191
lactuloseLactuloseME30747011333C07064929908204
lauric acidLauric acidME3074693893C02679547906117
leucineLeucineME3074686106C00123346357158
lysineLysineME3074665962C00047663483156
maleimideMaleimideME30746510935C07272245118154
malic acidMalic acidME307464525C00711463180233
heptadecanoic acidMargaric acidME30748210465-751309117
methanolphosphateMethanolphosphateME30746313130-289520241
methionineMethionineME3074626137C00073483560176
methionine sulfoxideMethionine sulfoxideME307461158980C02989637588128
myo-inositolMyo-inositolME307460892C00137730022305
myristic acidMyristic acidME30745911005C06424634414285
n-epsilon-trimethyllysineN-6-TrimethyllysineME307457440121-512366118
nicotinamideNiacinamideME307456936C00153471602179
nicotinic acidNicotinic acidME307455938C00253366992180
N-methylalanineN-MethylalanineME3074545288725C02721286855130
oleic acidOleic acidME307453445639C00712779120339
ornithineOrnithineME3074526262C00077527113142
orotic acidOrotic acidME307451967C00295586317254
oxalic acidOxalic acidME307450971C00209260513190
oxoprolineOxoprolineME3074497405C01879485935156
palmitic acidPalmitic acidME307448985C00249713809313
palmitoleic acidPalmitoleic acidME307447445638C08362706508311
parabanic acid NISTParabanic acidME30744667126C00802464991100
pelargonic acidPelargonic acidME3074458158C01601399229117
pentadecanoic acidPentadecylic acidME30744413849C16537674647117
phenylalaninePhenylalanineME3074436140C00079537804218
phosphoenolpyruvatePhosphoenolpyruvic acidME307441--518184211
phosphogluconic acidPhosphogluconic acidME30744091493C00345847013299
phosphatePhosphoric acidME307442--346324314
pipecolinic acidPipecolic acidME307439736316-404121156
prolineProlineME307438145742C00148364716142
propane-1,3-diol NISTPropane-1,3-diolME30743710442C02457214380177
pseudo uridinePseudouridineME30743615047C02067813899217
putrescinePutrescineME3074351049C00138588119174
pyrophosphatePyrophosphateME3074341023C00013327517110
pyruvic acidPyruvic acidME3074331060C00022211003174
ribitolRibitolME307432827C00474575497217
ribonic acidRibonic acidME3074315460677C01685599680292
saccharopineSaccharopineME307430160556C00449865907156
serineSerineME3074295951C00065395020218
beta-glycerolphosphatesn-Glycero-2-phosphateME3075162526C02979574470243
glycerol-alpha-phosphatesn-Glycero-3-phosphateME307489754C03189590747357
sorbitolSorbitolME3074285780C00794667922217
spermidineSpermidineME3074271102C00315792924144
stearic acidStearic acidME3074265281C01530787622117
succinic acidSuccinic acidME3074251110C00042370608247
sucroseSucroseME3074245988C00089915139271
sulfuric acidTG 16:0_18:1_18:1ME3074231118C00059282411227
threonineThreonineME3074226288C00188409568218
thymineThymineME3074211135C00178420133255
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3074205810C01157484934140
trehaloseTrehaloseME307419--948197191
trehalose-6-phosphateTrehalose 6-phosphateME307418--1068812271
tryptophanTryptophanME3074176305C00078780482202
tyrosineTyrosineME3074166057C00082671252218
tyrosolTyrosolME30741510393C06044510842179
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME307414445675C00043623789226
uridine-5'-monophosphateUMPME3074106030-980179169
uracilUracilME3074131174C00106385735241
ureaUreaME3074121176C00086328888189
uridineUridineME3074116029C00299856709224
valineValineME3074096287C00183313502144
xanthineXanthineME3074081188C00385701688353
beta-mannosylglycerate-ME307515--775654204


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