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


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