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


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