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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-ketoadipic acidOxoadipic acidME301163--331841100
parabanic acid NISTParabanic acidME30105567126C00802464991100
xyloseXyloseME301018135191C00181543267103
pyrophosphatePyrophosphateME3010441023C00013327517110
creatinineCreatinineME301131588C00791502599115
adrenalineEpinephrineME301153--678907116
alanineAlanineME3011525950C00041243971116
alanine-alanineAla-AlaME301151--523110116
6-deoxyglucoseQuinovoseME301158441480C08352573663117
arachidic acidArachidic acidME30114610467C06425856421117
behenic acidBehenic acidME3011418215C08281920648117
heptadecanoic acidMargaric acidME30110110465-751309117
isoheptadecanoic acid NIST15-Methylpalmitic acidME301089164860-737927117
lauric acidLauric acidME3010843893C02679547906117
myristic acidMyristic acidME30106911005C06424634414117
nonadecanoic acidNonadecylic acidME30106412591C16535822782117
palmitoleic acidPalmitoleic acidME301057445638C08362706508117
pelargonic acidPelargonic acidME3010548158C01601399229117
pentadecanoic acidPentadecylic acidME30105313849C16537674647117
stearic acidStearic acidME3010355281C01530787622117
2-hydroxypyrazinyl-2-propenoic acid ethyl ester NI...-ME301165--493127121
1-monostearinMG 18:0/0:0/0:0ME30116724699D01947959214129
beta-sitosterolSitosterolME301137222284C017531128225129
cholesterolCholesterolME3011345997C001871076014129
2-hydroxyvaleric acid2-Hydroxyvaleric acidME30116498009-309587131
ornithineOrnithineME3010616262C00077527113142
prolineProlineME301047145742C00148364716142
valineValineME3010216287C00183313502144
hydroxylamineHydroxylamineME301093787C00192253158146
itaconic acidItaconic acidME301086811C00490386511147
histidineHistidineME3010966274C00135663790154
maleimideMaleimideME30107910935C07272245118154
glutamineGlutamineME3011105961C00064600315156
lysineLysineME3010815962C00047663483156
oxoprolineOxoprolineME3010597405C01879485935156
citrullineCitrullineME3011329750C00327621404157
isoleucineIsoleucineME3010886306C00407359251158
leucineLeucineME3010836106C00123346357158
N-acetylaspartic acidN-Acetylaspartic acidME30106765065C01042548028158
aspartate minorAspartic acidME3011445960C00049433227160
hexuronic acidHexuronic acidME301097152867-667373160
adenosine-5-monophosphateAMPME3011546083C000201038688169
inosine-5'-monophosphateIMPME3010908582C001301018687169
uridine-5'-monophosphateUMPME301022--980179169
xylulose NISTXyluloseME301017439205C00312553450173
5-methoxytryptamine5-MethoxytryptamineME3011601833C05659864466174
ethanolamineEthanolamineME301121700C00189344719174
glycyl tyrosineGly-TyrME30110392829-922071174
putrescinePutrescineME3010461049C00138588872174
pyruvic acidPyruvic acidME3010431060C00022211003174
serotoninSerotoninME3010385202C00780877364174
methionineMethionineME3010736137C00073483560176
glycolic acidGlycolic acidME301104757C00160227636177
benzoic acidBenzoic acidME301140243C00180339067179
nicotinamideNiacinamideME301066936C00153469827179
nicotinic acidNicotinic acidME301065938C00253353934180
asparagineAsparagineME3011456267C00152553078188
glyceric acidGlyceric acidME301107439194C00258377495189
ureaUreaME3010241176C00086334045189
oxalic acidOxalic acidME301060971C00209260513190
lactic acidLactic acidME301085612C01432219848191
methyltetrahydrophenanthrenone NIST-ME301071--594337197
alpha-ketoglutarate2-Oxoglutaric acidME30114951C00026507392198
caprylic acidCaprylic acidME301135379C06423343457201
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME301068--723255202
tryptophanTryptophanME3010296305C00078780482202
1-methylgalactose NIST-ME3011682108-664807204
galactinolGalactinolME30111511727586C012351017580204
levoglucosanGlucosanME3010822724705-569637204
maltoseMaltoseME301077439186C00208954710204
methyl O-D-galactopyranosideMethyl beta-D-galactosideME30107294214C03619630836204
shikimic acidShikimic acidME3010378742C00493611100204
mannoseMannoseME30107518950C00159645856205
phosphoenolpyruvatePhosphoenolpyruvic acidME301050--518184211
glutathioneGlutathioneME301108124886C00051761296213
arabitolArabitolME30114794154C01904570685217
erythritolErythritolME301122222285C00503471922217
glucose-1-phosphateGlucose 1-phosphateME30111265533C00103594647217
hexitolSorbitolME301100453C00392704741217
hexonic acidGluconic acidME301099604-698302217
lyxitolL-ArabitolME301080439255C00532573587217
ribitolRibitolME301042827C00474575497217
riboseRiboseME3010415779C00121553135217
sorbitolSorbitolME3010365780C00794667922217
tagatoseD-TagatoseME301032--629499217
UDP-glucuronic acidUDP-glucuronic acidME30102717473C00167587601217
xylitolXylitolME3010196912C00379567437217
aminomalonateAminomalonic acidME301148100714C00872455754218
cystineCystineME301128595C01420804619218
homoserineHomoserineME30109512647C00263443878218
phenylalaninePhenylalanineME3010526140C00079537804218
serineSerineME3010395951C00065395020218
threonineThreonineME3010306288C00188409568218
tyrosineTyrosineME3010286057C00082671252218
pyridoxal-5-phosphatePyridoxal 5'-phosphateME3010451051C00018825754219
cysteineCysteineME3011305862C00097500158220
cysteine-glycineCys-GlyME301129439498C01419715335220
cytidineCytidineME3011276175C00475937026223
UDP GlcNAcUDP-N-acetylglucosamineME301026445675C00043627437226
3-phosphoglycerate3-Phosphoglyceric acidME301162724C00597610734227
sulfuric acidTG 16:0_18:1_18:1ME3010331118C00059285430227
aconitic acidcis-Aconitic acidME301157643757C00417586815229
capric acidCapric acidME3011362969C01571451790229
inosineInosineME3010916021C00294897434230
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME30116116069996C06474588886231
aspartic acidAspartic acidME3011435960C00049480387232
malic acidMalic acidME301078525C00711463180233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME301159439176C00170967036236
adenosineAdenosineME30115560961C00212918039236
dehydroabietic acidDehydroabietic acidME30112494391C12078850374239
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME30116923368901-397526241
methanolphosphateMethanolphosphateME30107413130-289520241
uracilUracilME3010251174C00106385735241
beta-glycerolphosphatesn-Glycero-2-phosphateME3011382526C02979574470243
cytidine-5-monophosphateCMPME301126--700635243
dodecanolDodecanolME3011238193C02277507619243
fumaric acidFumaric acidME301116444972C00122390016245
glutamic acidGlutamic acidME30110933032C00025529100246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME30116643C02630508940247
succinic acidSuccinic acidME3010341110C00042370608247
beta-alaninebeta-AlanineME301139239C00099435564248
glycineGlycineME301105750C00037368707248
cytosinCytosineME301125597C00380486724254
allantoic acidAllantoic acidME301150203C00499723539259
pinitolPinitolME301048--624716260
adenineAdenineME301156--646701264
hypoxanthineHypoxanthineME301092790C00262619128265
citric acidCitric acidME301133311C00158618808273
hydroxycarbamate NISTHydroxycarbamic acidME30109416639161-325948278
pantothenic acidPantothenic acidME3010566613C12276690887291
isothreonic acidD-Threonic acidME301087151152C00639489385292
phosphoethanolaminePhosphoethanolamineME3010491015C00346604335299
myo-inositolMyo-inositolME301070892C00137730022305
fructoseFructoseME301120439709C02336639442307
palmitic acidPalmitic acidME301058985C00249713809313
phosphatePhosphoric acidME3010511004C00009345365314
fructose-1,6-bisphosphateFructose 1,6-bisphosphateME301118--939046315
fructose-6-phosphateFructose 6-phosphateME301117440641C05345804750315
ribose-5-phosphateRibose 5-phosphateME301040439167C00117731837315
azelaic acidAzelaic acidME3011422266C08261610651317
galactoseGalactoseME301114439357C00984647344319
glucoseGlucoseME30111364689C00221650867319
mannitolMannitolME3010766251C00392663215319
guanosineGuanosineME3011026802C00387957445324
taurineTaurineME3010311123C00245556690326
octadecanolStearyl alcoholME3010638221-755409327
oleic acidOleic acidME301062445639C00712779120339
xanthineXanthineME3010201188C00385701688353
glycerol-alpha-phosphatesn-Glycero-3-phosphateME301106754C03189593299357
fructose-1-phosphateFructose 1-phosphateME301119439394C01094803180387
glucose-6-phosphateGlucose 6-phosphateME3011115958C00092818275387
hexose-6-phosphateHexose 6-phosphateME301098208C02965806282387
uric acidUric acidME3010231175C00366731038441


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