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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME27772310787C02814521803239
isoheptadecanoic acid NIST15-Methylpalmitic acidME277656164860-737927117
piperidone2-PiperidinoneME27761912665-275603156
butyrolactam NIST2-PyrrolidinoneME27770112025-277199142
4-aminobutyric acid4-Aminopentanoic acidME277715119C00334488730304
4-hydroxybutyric acid4-Hydroxybutyric acidME27771410413C00989325027233
5-aminovaleric acid5-Aminopentanoic acidME277713138C00431536657174
5-methoxytryptamine5-MethoxytryptamineME2777121833C05659864466174
adenineAdenineME277711190C00147646534264
adenosineAdenosineME27771060961C00212918039236
alanineAlanineME2777095950C00041240378116
arachidic acidArachidic acidME27770810467C06425856421117
arachidonic acidArachidonic acidME277707444899C0021983711591
aspartic acidAspartic acidME2777065960C00049480387232
behenic acidBehenic acidME2777058215C08281920648117
benzoic acidBenzoic acidME277704243C00180339067179
beta-alaninebeta-AlanineME277703239C00099435564248
capric acidCapric acidME2777002969C01571451790229
caprylic acidCaprylic acidME277699379C06423343457201
cellobioseCellobioseME2776986255C01971932179204
cerotinic acidCerotic acidME27769710469-1033286145
1-hexadecanolCetyl alcoholME2777212682C00823679596299
cholesterolCholesterolME2776965997C001871078536129
cholesterol NISTCholesterolME277695--994497129
ciliatineCiliatineME277694339C03557588335398
cis-gondoic acidcis-Gondoic acidME2776935282768C16526851223367
citrullineCitrullineME2776929750C00327621404157
conduritol-beta-epoxideConduritol epoxideME2776919989541-675635318
dehydroabietic acidDehydroabietic acidME27769094391C12078850374239
diacetone alcohol NISTDiacetone alcoholME27768931256-208867115
dihydrocholesterolDihydrocholesterolME27768866066C129781082070215
dodecanolDodecanolME2776878193C02277507619243
isoriboseD-RibopyranoseME27765310975657-558730217
tagatoseD-TagatoseME277604439312C00795636627307
epsilon-caprolactamEpsilon-caprolactamME2776867768C06593353069170
ergosterolErgosterolME277685444679C016941100305363
ethanolamineEthanolamineME277684700C00189344719174
fructoseFructoseME277683439709C02336639442307
fructose-6-phosphateFructose 6-phosphateME277682440641C05345804279315
fucoseFucoseME277681439650C02095578299160
fumaric acidFumaric acidME277680444972C00122390016245
galactonic acidGalactonic acidME277679128869C00880690882292
galactoseGalactoseME277678439357C00984648756319
gluconic acidGluconic acidME2776776857417C00800693148333
glucoseGlucoseME27767664689C00221659798319
glucose-6-phosphateGlucose 6-phosphateME2776755958C00092818275387
glutamic acidGlutamic acidME27767433032C00025529100246
glutaric acidGlutaric acidME277673743C00489421596261
glyceric acidGlyceric acidME277672439194C00258377495189
glycerolGlycerolME277671753C00116344466205
glycineGlycineME277669750C00037368707248
glycolic acidGlycolic acidME277668757C00160227215177
glycyl prolineGly-ProME2776673013625-691357174
guanosineGuanosineME2776666802C00387954962324
hexadecaneHexadecaneME27766411006-52596485
hexuronic acidHexuronic acidME277661152867-667373160
hydroxycarbamate NISTHydroxycarbamic acidME27766016639161-325318278
hydroxylamineHydroxylamineME277659787C00192250536146
inosineInosineME2776586021C00294897434230
isobutene glycol NISTIsobutene glycolME27765768410-229353129
isoleucineIsoleucineME2776556306C00407359251158
isomaltoseIsomaltoseME277654439193C00252983199160
lactic acidLactic acidME277652612C01432219848191
lactitolLactitolME277651157355C13542959541361
lactoseLactoseME277650440995C00243935640191
lactuloseLactuloseME27764911333C07064929908204
lyxitolL-ArabitolME277643439255C00532573587217
lauric acidLauric acidME2776483893C02679547906117
leucineLeucineME2776476106C00123346101158
lignoceric acidLignoceric acidME27764611197C08320978597132
linoleic acidLinoleic acidME2776455280450C01595777414150
lysineLysineME2776445962C00047663483156
maltoseMaltoseME277642439186C00208946601204
maltotrioseMaltotrioseME277641439586C018351176044361
mannitolMannitolME2776406251C00392663215319
heptadecanoic acidMargaric acidME27766510465-751309117
methionineMethionineME2776396137C00073483560176
methionine sulfoxideMethionine sulfoxideME277637158980C02989637588128
1-monopalmitinMG 16:0/0:0/0:0ME27772014900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME27771924699D01947959214203
hexadecylglycerol NISTMG O-16:0ME27766372733C13859867593205
myo-inositolMyo-inositolME277636892C00137730022305
myristic acidMyristic acidME27763511005C06424634414285
4',5-dihydroxy-7-glucosyloxyflavanoneNaringenin 7-O-beta-D-glucosideME27771692794C09099980985361
nicotinic acidNicotinic acidME277634938C00253353934180
nonadecanoic acidNonadecylic acidME27763312591C16535822782117
oleic acidOleic acidME277631445639C00712779120339
ornithineOrnithineME27763088747248C00077619196142
2-ketoadipic acidOxoadipic acidME27771771C00322331841100
oxoprolineOxoprolineME2776297405C01879485935156
palmitic acidPalmitic acidME277628985C00249713809313
palmitoleic acidPalmitoleic acidME277627445638C08362706508311
pelargonic acidPelargonic acidME2776268158C01601399229117
pentadecanoic acidPentadecylic acidME27762513849C16537674647117
phenylalaninePhenylalanineME2776246140C00079537804218
phenylethylaminePhenylethylamineME2776231001C05332510327174
phosphoethanolaminePhosphoethanolamineME2776211015C00346603912299
phosphatePhosphoric acidME2776221004C00009345365314
pinitolPinitolME277620164619C03844622466260
putrescinePutrescineME2776181045C00138588119174
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME27761712473C05942394886240
riboseRiboseME2776165779C00121553135217
serineSerineME2776155951C00065395020218
shikimic acidShikimic acidME2776148742C00493611100204
beta-sitosterolSitosterolME277702222284C017531128225129
glycerol-alpha-phosphatesn-Glycero-3-phosphateME277670754C03189590747357
hexitolSorbitolME277662453C00392704741217
sorbitolSorbitolME2776135780C00794667922217
spermidineSpermidineME2776121102C00315792924144
spermineSpermineME2776111103C00750926727174
squaleneSqualeneME277610638072C0075197623795
stearic acidStearic acidME2776095281C01530787622117
octadecanolStearyl alcoholME2776328221-755409327
stigmasterolStigmasterolME2776085280794C054421110837255
succinic acidSuccinic acidME2776071110C00042370608247
sucroseSucroseME2776065988C00089912704271
taurineTaurineME2776031123C00245556690326
sulfuric acidTG 16:0_18:1_18:1ME2776051118C00059282411227
threonic acidThreonic acidME2776025460407C01620497572292
threonineThreonineME2776016288C00188408777218
thymidineThymidineME2776005789C00214349402170
thymineThymineME2775991135C00178420133255
tryptophanTryptophanME2775986305C00078780482202
tyrosineTyrosineME2775976057C00082671252218
UDP GlcNAcUDP-N-acetylglucosamineME277596445675C00043627437226
ureaUreaME2775951176C00086323728189
valineValineME2775946287C00183309359144
xylitolXylitolME2775936912C00379567437217
zymosterolZymosterolME27759292746C054371088064129
1,3,5-trimethylcyanuric acid-ME277722--416269171
2-hydroxypyrazinyl-2-propenoic acid ethyl ester NI...-ME2777185371086-493127121
methionine minor-ME277638--430778104


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