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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
1,5-anhydroglucitol1,5-AnhydrosorbitolME39769264960C07326633969217
1-methylgalactose NIST-ME3976912108-664807204
1-methylinosine NIST1-MethylinosineME39769065095-1026110259
1-monooleinMG 18:1(9Z)/0:0/0:0ME3976895283468-952623129
1-monopalmitinMG 16:0/0:0/0:0ME39768814900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME39768724699D01947959214203
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME39769323368901-397526241
2-hydroxyglutaric acid2-Hydroxyglutaric acidME39768643C02630506306247
2-ketobutyric acid3-Methyl pyruvic acidME39768558C0010922535889
2-monooleinMG 0:0/18:1(9Z)/0:0ME3976845319879-941794129
2-monopalmitinMG 0:0/16:0/0:0ME397683123409-890356129
3-hydroxybutyric acid3-Hydroxybutyric acidME39768292135C01089278829191
3-phosphoglycerate3-Phosphoglyceric acidME397681724C00597610734227
4-aminobutyric acid4-Aminopentanoic acidME397680119C00334488730304
6-deoxyglucoseQuinovoseME397679441480C08352573663117
acetophenone NISTAcetophenoneME3976787410C07113238615105
aconitic acidcis-Aconitic acidME397677643757C00417586815229
adenineAdenineME397676190C00147646534264
adenosineAdenosineME39767560961C00212918039236
adenosine-5-monophosphateAMPME3976746083C000201038688169
alanineAlanineME3976735950C00041244189116
alpha-aminoadipic acidalpha-Aminoadipic acidME39767292136C00956571057260
alpha-tocopherolalpha-TocopherolME397571638015C003761067809237
aminomalonateAminomalonic acidME397671100714C00872455754218
arabitolArabitolME39767094154C01904570685217
arachidic acidArachidic acidME39766910467C06425856421117
arachidonic acidArachidonic acidME397668444899C0021983433991
ascorbic acidVitamin CME39766754670067C00072672898332
asparagineAsparagineME3976666267C00152553078188
aspartic acidAspartic acidME3976655960C00049433075160
benzoic acidBenzoic acidME397664243C00180339214179
beta-alaninebeta-AlanineME397663239C00099435564248
beta-glycerolphosphatesn-Glycero-2-phosphateME3976622526C02979574470243
bisphosphoglycerol NIST-ME397661102018-764660299
butyrolactam NIST2-PyrrolidinoneME39766012025-277199142
capric acidCapric acidME3976592969C01571451790229
cis-gondoic acidcis-Gondoic acidME3976585282768C16526847372117
citric acidCitric acidME397657311C00158617342273
creatinineCreatinineME397656588C00791502599115
cysteineCysteineME3976555862C00097500158220
dehydroascorbic acidL-Dehydroascorbic acidME397654440667C05422633423173
dihydrocholesterolDihydrocholesterolME39765366066C129781082070215
erythritolErythritolME397652222285C00503471922217
erythronic acidErythronic acidME3976512781043-512029217
erythronic acid lactoneErythrono-1,4-lactoneME3976505325915C02341407495247
ethanolamineEthanolamineME397649700C00189344654174
fructoseFructoseME397648439709C02336639442307
fructose-1,6-bisphosphateFructose 1,6-bisphosphateME397647--936139315
fructose-6-phosphateFructose 6-phosphateME397646440641C05345804279315
fucoseFucoseME397645439650C02095578299160
fumaric acidFumaric acidME397644444972C00122390775245
galactoseGalactoseME397643439357C00984648756319
glucoseGlucoseME39764264689C00221657941319
glucose-1-phosphateGlucose 1-phosphateME39764165533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME3976405958C00092818275387
glutamic acidGlutamic acidME39763933032C00025527086246
glutamineGlutamineME3976385961C00064600315156
glyceric acidGlyceric acidME397637439194C00258377495189
glycerolGlycerolME397636753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME397635754C03189590747357
glycineGlycineME397634750C00037368707248
glycolic acidGlycolic acidME397633757C00160227636177
guanosineGuanosineME3976326802C00387954962324
heptadecanoic acidMargaric acidME39763110465-751309117
hexitolSorbitolME397630453C00392704741217
hexose-6-phosphateHexose 6-phosphateME397629208C02965806282387
hydroxylamineHydroxylamineME397628787C00192255241146
hypoxanthineHypoxanthineME397627790C00262619128265
inosineInosineME3976266021C00294897184230
inosine-5'-monophosphateIMPME3976258582C001301018687169
inositol-4-monophosphateInositol 4-phosphateME397624440043C03546846510315
isocitric acidIsocitric acidME3976235318532C00451617338245
isoleucineIsoleucineME3976226306C00407359251158
isothreonic acidD-Threonic acidME397621151152C00639489385292
lactamideLactamideME39762094220-265698232
lactic acidLactic acidME397619612C01432217657191
leucineLeucineME3976186106C00123346357158
linoleic acidLinoleic acidME3976175280450C01595777414150
lysineLysineME3976165962C00047663483156
lyxitolL-ArabitolME397615439255C00532573587217
maleimideMaleimideME39761410935C07272245118154
malic acidMalic acidME397613525C00711463180233
maltoseMaltoseME397612439186C00208946601204
mannitolMannitolME3976116251C00392663215319
methanolphosphateMethanolphosphateME39761013130-289520241
methionineMethionineME3976096137C00073483560176
methionine sulfoxideMethionine sulfoxideME397608158980C02989637588128
myo-inositolMyo-inositolME397607892C00137730022305
myristic acidMyristic acidME39760611005C06424634414285
N-acetylaspartateN-Acetylaspartic acidME39760565065C01042550762274
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME397604--723255202
N-acetylglutamateN-Acetylglutamic acidME39760370914C00624604748216
nicotinamideNiacinamideME397602936C00153471602179
oleic acidOleic acidME397601445639C00712781527339
ornithineOrnithineME3976006262C00077527113142
oxalic acidOxalic acidME397599971C00209260513190
oxamic acidOxamic acidME397598974C01444338255190
oxoprolineOxoprolineME3975977405C01879485935156
palmitic acidPalmitic acidME397596985C00249713809313
palmitoleic acidPalmitoleic acidME397595445638C08362704511311
pantothenic acidPantothenic acidME3975946613C12276690887291
parabanic acid NISTParabanic acidME39759367126C00802464991100
pelargonic acidPelargonic acidME3975928158C01601399229117
pentadecanoic acidPentadecylic acidME39759113849C16537674647117
phenylalaninePhenylalanineME3975906140C00079537804218
phosphatePhosphoric acidME3975891004C00009345365314
phosphoethanolaminePhosphoethanolamineME3975881015C00346604335299
phosphogluconic acidPhosphogluconic acidME39758791493C00345847013299
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME3975869378C03672654036308
prolineProlineME397585145742C00148364716142
putrescinePutrescineME3975841049C00138588119174
pyrophosphatePyrophosphateME3975831023C00013327517110
pyruvic acidPyruvic acidME3975821060C00022211003174
ribitolRibitolME397581827C00474575497217
riboseRiboseME3975805779C00121553135217
serineSerineME3975795951C00065395020218
sorbitolSorbitolME3975785780C00794667922217
stearic acidStearic acidME3975775281C01530787622117
succinic acidSuccinic acidME3975761110C00042370608247
sulfuric acidTG 16:0_18:1_18:1ME3975751118C00059282411227
taurineTaurineME3975741123C00245556690326
threonic acidThreonic acidME3975735460407C01620497572292
threonineThreonineME3975726288C00188409568218
tryptophanTryptophanME3975706305C00078780482202
tyrosineTyrosineME3975696057C00082671252218
UDP GlcNAcUDP-N-acetylglucosamineME397568445675C00043627437226
uracilUracilME3975671174C00106385735241
ureaUreaME397566--329351189
uridineUridineME3975656029C00299861508217
valineValineME3975646287C00183313502144
xanthineXanthineME3975631188C00385701688353
xylitolXylitolME3975626912C00379567437217
xyloseXyloseME397561135191C00181543267103


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