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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-AnhydrosorbitolME39720664960C07326633969217
1-monooleinMG 18:1(9Z)/0:0/0:0ME3972055283468-952623129
1-monopalmitinMG 16:0/0:0/0:0ME39720414900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME39720324699D01947959214203
2,3-dihydroxybutanoic acid NIST-ME397202250402-384796292
2-deoxytetronic acid3,4-Dihydroxybutyric acidME397201150929-433456189
2-hydroxybutanoic acid2-Hydroxybutyric acidME397200440864C05984258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME39719943C02630506306247
2-monooleinMG 0:0/18:1(9Z)/0:0ME3971985319879-941794129
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME397197--598147179
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME39719616069996C06474588886231
3-hydroxybutyric acid3-Hydroxybutyric acidME39719592135C01089278829191
3-ureidopropionateUreidopropionic acidME397194--554966161
4-hydroxybenzoate4-Hydroxybenzoic acidME397193135C00156537925223
4-hydroxyhippuric acid NIST-ME397192151012-784581294
4-hydroxyphenylacetic acidp-Hydroxyphenylacetic acidME397191127C00642542795179
5-methoxytryptamine5-MethoxytryptamineME3971901833C05659864466174
aconitic acidcis-Aconitic acidME397189643757C00417586815229
adenosineAdenosineME39718860961C00212918039236
adenosine-5-monophosphateAMPME3971876083C000201038688169
adipic acidAdipic acidME397186196C06104474435111
alanineAlanineME3971855950C00041243971116
allantoic acidAllantoic acidME397184--726050259
alpha-aminoadipic acidalpha-Aminoadipic acidME397183--573295260
alpha-tocopherolalpha-TocopherolME397063638015C003761067809237
aminomalonateAminomalonic acidME397182100714C00872455754218
arabinoseArabinoseME3971816902C00216550621217
arabitolArabitolME39718094154C01904570685217
arachidic acidArachidic acidME39717910467C06425856421117
arachidonic acidArachidonic acidME397178444899C0021983433991
asparagineAsparagineME3971776267C00152553078188
aspartic acidAspartic acidME3971765960C00049480387232
behenic acidBehenic acidME3971758215C08281920648117
benzoic acidBenzoic acidME397174243C00180339214179
beta-sitosterolSitosterolME397173222284C017531128225129
biuretBiuretME397172134490C03283571466171
capric acidCapric acidME3971712969C01571451790229
cholesterolCholesterolME3971705997C001871078536129
cholic acidCholic acidME397169221493C054631109517253
citric acidCitric acidME397168311C00158617342273
citrullineCitrullineME3971679750C00327621404157
conduritol-beta-epoxideConduritol epoxideME3971669989541-675635318
creatinineCreatinineME397165588C00791502599115
cystineCystineME397164595C01420804619218
dehydroabietic acidDehydroabietic acidME39716394391C12078850374239
diglycerolDiglycerolME39716242953-591074103
dihydrocholesterolDihydrocholesterolME39716166066C129781082070215
dodecanolDodecanolME3971608193C02277507619243
erythritolErythritolME397159222285C00503471922217
ethanolamineEthanolamineME397158700C00189343800174
fructoseFructoseME397157439709C02336641863307
fucoseFucoseME397156439650C02095578299160
fumaric acidFumaric acidME397155444972C00122390775245
galactonic acidGalactonic acidME397154128869C00880690882292
glucoheptuloseGlucoheptuloseME3971535459879C02076828606217
gluconic acidGluconic acidME3971526857417C00800693148333
gluconic acid lactoneGluconolactoneME3971517027C00198645815220
glucoseGlucoseME39715064689C00221659798319
glutamic acidGlutamic acidME39714933032C00025527086246
glutamineGlutamineME3971485961C00064600315156
glutaric acidGlutaric acidME397147743C00489421596261
glyceric acidGlyceric acidME397146439194C00258377495189
glycerolGlycerolME397145--344428205
glycerol-3-galactosideGalactosylglycerolME39714416048618C05401805227204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME397143754C03189590747357
glycineGlycineME397142750C00037368707248
glycolic acidGlycolic acidME397141757C00160227636177
heptadecanoic acidMargaric acidME39714010465-751309117
hexadecaneHexadecaneME397139--52596485
hexitolSorbitolME397138453C00392704741217
hexoseHexoseME397137206C00738642640319
hexuronic acidHexuronic acidME397136152867-667373160
histidineHistidineME3971356274C00135663790154
hydrocinnamic acidHydrocinnamic acidME397134--434422104
hydroxylamineHydroxylamineME397133787C00192255241146
hypoxanthineHypoxanthineME397132790C00262619128265
indole-3-acetateIndoleacetic acidME397131802C00954684929202
indole-3-lactateIndolelactic acidME39713092904C02043764586202
indoxyl sulfateIndoxyl sulfateME39712910258-577333277
inosineInosineME3971286021C00294897184230
isocitric acidIsocitric acidME3971275318532C00451617338245
isohexonic acid-ME397126604-698302333
isoleucineIsoleucineME3971256306C00407359251158
isothreitolThreitolME397124169019C16884464779217
isothreonic acidD-Threonic acidME397123151152C00639489385292
ketohexosePsicoseME397122439312C00795627414307
lactamideLactamideME39712194220-265698232
lactic acidLactic acidME397120612C01432215238191
lauric acidLauric acidME3971193893C02679547906117
leucineLeucineME3971186106C00123346101158
linoleic acidLinoleic acidME3971175280450C01595777414150
lysineLysineME3971165962C00047663483156
lyxoseLyxoseME397115439240C00476541086217
maleimideMaleimideME39711410935C07272245118154
malic acidMalic acidME397113525C00711463180233
mannoseMannoseME39711218950C00159645856205
methanolphosphateMethanolphosphateME39711113130-289520241
methionine sulfoxideMethionine sulfoxideME397110158980C02989637588128
myo-inositolMyo-inositolME397109892C00137730022305
myristic acidMyristic acidME39710811005C06424634414285
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME397107--723255202
n-acetyl-d-hexosamineN-AcetylhexosamineME39710624139C03878746341319
N-acetyl-D-tryptophanN-Acetyl-D-tryptophanME397105439917C03137859454202
n-acetylglutamateN-Acetylglutamic acidME39710470914C00624477776158
N-acetylmannosamineN-Acetyl-mannosamineME397103439281C00645735323319
N-acetylornithineN-AcetylornithineME397102439232C00437682693174
nicotinamideNiacinamideME397101936C00153469827179
N-methylalanineN-MethylalanineME397100-C02721285825130
octadecanolStearyl alcoholME3970998221-755409327
octadecylglycerolMG O-18:0ME397098--928878205
oleamide NIST-ME3970975283387C19670849710144
oleic acidOleic acidME397096445639C00712779120339
ornithineOrnithineME3970956262C00077527113142
oxalic acidOxalic acidME397094971C00209260513190
oxoprolinePyroglutamic acidME3970937405C01879485935156
palmitic acidPalmitic acidME397092985C00249713809313
palmitoleic acidPalmitoleic acidME397091445638C08362704511311
pantothenic acidPantothenic acidME3970906613C12276690887291
parabanic acid NIST-ME39708967126C00802464991100
pelargonic acidPelargonic acidME3970888158C01601399229117
phenylalaninePhenylalanineME3970876140C00079537804218
phenylethylaminePhenylethylamineME3970861001C05332510327174
phosphatePhosphoric acidME3970851004C00009345365314
phosphoethanolaminePhosphoethanolamineME3970841015C00346603912299
pinitolPinitolME397083--624716260
prolineProlineME397082145742C00148364716142
pseudo uridinePseudouridineME39708115047C02067813899217
p-tolyl glucuronideP-Cresol glucuronideME397080154035-847531180
pyrophosphatePyrophosphateME3970791023C00013547021451
raffinoseRaffinoseME397078439242C004921120886361
ribonic acidRibonic acidME3970775460677C01685599680292
riboseRiboseME3970765779C00121553135217
saccharic acidGlucaric acidME39707533037C00818699211333
serineSerineME3970745951C00065395020218
sorbitolSorbitolME3970735780C00794667922217
stearic acidStearic acidME3970725281C01530787622117
succinic acidSuccinic acidME3970711110C00042370608247
sucroseSucroseME3970705988C00089912704271
sulfuric acidTrichilin AME3970691118C00059282411227
taurineTaurineME3970681123C00245556690326
threonic acidThreonic acidME3970675460407C01620497572292
threonineThreonineME3970666288C00188409568218
thymidineThymidineME3970655789C00214349402170
thymineThymineME3970641135C00178420133255
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3970625810C01157484934140
trehaloseTrehaloseME397061--948197191
tryptophanTryptophanME3970606305C00078780482202
tyrosineTyrosineME3970596057C00082671252218
UDP GlcNAcUDP-N-acetylglucosamineME397058445675C00043627437226
uracilUracilME3970571174C00106385735241
ureaUreaME397056--329351189
uric acidUric acidME3970551175C00366731038441
uridineUridineME3970546029C00299861508217
valineValineME3970536287C00183313502144
xanthineXanthineME3970521188C00385701688353
xylitolXylitolME3970516912C00379567437217
xyloseXyloseME397050135191C00181543267103


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