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Analysis: GC-MS data

Metabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,2-dihydroxycylohexane NIST-ME319345--353505-
1,5-anhydroglucitol1,5-AnhydrosorbitolME31934664960C07326633969-
1-monooleinMG 18:1(9Z)/0:0/0:0ME3193475283468-955584-
1-monopalmitinMG 16:0/0:0/0:0ME31934814900C01885901749-
1-monostearinMG 18:0/0:0/0:0ME31934924699D01947959214-
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME319350250402-384796-
2-deoxytetronic acid3,4-Dihydroxybutyric acidME319351150929-433456-
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME319352192742-390517-
2-hydroxybutanoic acid2-Hydroxybutyric acidME319353440864C05984258161-
2-hydroxyglutaric acid2-Hydroxyglutaric acidME31935443C02630506306-
2-hydroxyvaleric acid2-Hydroxyvaleric acidME31935598009-309587-
2-ketoisocaproic acidKetoleucineME31935670C00233310761-
2-ketoisovaleric acidKetoisovaleric acidME319357--247953-
3-aminoisobutyric acid3-Aminoisobutanoic acidME31935864956C05145309837-
3-hydroxybutyric acid3-Hydroxybutyric acidME31935992135C01089278829-
5-methoxytryptamine5-MethoxytryptamineME3193601833C05659864466-
aconitic acidcis-Aconitic acidME319363643757C00417586815-
adipic acidAdipic acidME319364196C06104474435-
alanineAlanineME3193655950C00041243971-
alpha-ketoglutarate2-Oxoglutaric acidME31936651C00026507392-
aminomalonateAminomalonic acidME319367100714C00872455754-
arachidic acidArachidic acidME31936810467C06425856421-
arachidonic acidArachidonic acidME319369444899C00219834339-
ascorbic acidVitamin CME31937054670067C00072672898-
asparagineAsparagineME3193716267C00152553078-
aspartic acidAspartic acidME3193725960C00049480387-
azelaic acidAzelaic acidME3193732266C08261610651-
behenic acidBehenic acidME3193748215C08281920648-
benzoic acidBenzoic acidME319375243C00180339214-
benzylalcoholBenzyl alcoholME319376244C00556280360-
beta-alaninebeta-AlanineME319377239C00099435564-
capric acidCapric acidME3193782969C01571452386-
caprylic acidCaprylic acidME319379379C06423343457-
cholesterolCholesterolME3193805997C001871078536-
citramalic acidCitramalic acidME3193811081C00815456203-
conduritol-beta-epoxideConduritol epoxideME3193829989541-675635-
creatinineCreatinineME319383588C00791507768-
cysteineCysteineME3193845862C00097500158-
cystineCystineME319385595C01420804619-
dehydroascorbic acidL-Dehydroascorbic acidME319386440667C05422633423-
deoxypentitol1-Deoxy-D-ribitolME319387270738-528774-
diglycerolDiglycerolME31938842953-591074-
epsilon-caprolactamEpsilon-caprolactamME3193897768C06593353069-
erythritolErythritolME319390222285C00503471922-
erythronic acid lactoneErythrono-1,4-lactoneME3193915325915C02341407495-
ethanolamineEthanolamineME319392700C00189344719-
fructoseFructoseME319393439709C02336639442-
fucoseFucoseME319394439650C02095578299-
fumaric acidFumaric acidME319395444972C00122390775-
galactonic acidGalactonic acidME319396128869C00880690882-
gamma-aminobutyric acidgamma-Aminobutyric acidME319397119C00334364801-
gluconic acidGluconic acidME3193986857417C00800693148-
glucoseGlucoseME31939964689C00221654125-
glutamic acidGlutamic acidME31940033032C00025529100-
glutamineGlutamineME3194015961C00064603222-
glutaric acidGlutaric acidME319402743C00489421596-
glyceric acidGlyceric acidME319403439194C00258379720-
glycerolGlycerolME319404753C00116344466-
glycerol-3-galactosideGalactosylglycerolME31940516048618C05401805227-
glycerol-alpha-phosphatesn-Glycero-3-phosphateME319406754C03189593299-
glycineGlycineME319407750C00037371151-
glycolic acidGlycolic acidME319408757C00160227636-
heptadecanoic acidMargaric acidME31940910465-751309-
hexitolSorbitolME319410453C00392704741-
hippuric acidHippuric acidME319411464C01586636836-
histidineHistidineME3194126274C00135663739-
hydroxycarbamate NISTHydroxycarbamic acidME31941316639161-325948-
hydroxylamineHydroxylamineME319414787C00192255241-
indole-3-acetateIndoleacetic acidME319415802C00954684929-
indole-3-lactateIndolelactic acidME31941692904C02043764586-
indoxyl sulfateIndoxyl sulfateME31941710258-577333-
inosineInosineME3194186021C00294897184-
isoheptadecanoic acid NIST15-Methylpalmitic acidME319419164860-737927-
isoleucineIsoleucineME3194206306C00407359251-
isothreonic acidD-Threonic acidME319421151152C00639489385-
itaconic acidItaconic acidME319422811C00490386511-
lactamideLactamideME31942394220-265698-
lactic acidLactic acidME319424612C01432217657-
lactoseLactoseME319425440995C00243935640-
lactuloseLactuloseME31942611333C07064929908-
lauric acidLauric acidME3194273893C02679547906-
leucineLeucineME3194286106C00123351153-
levoglucosanGlucosanME3194292724705-569637-
linoleic acidLinoleic acidME3194305280450C01595777414-
lysineLysineME3194315962C00047667216-
lyxitolL-ArabitolME319432439255C00532573587-
maleimideMaleimideME31943310935C07272245118-
malic acidMalic acidME319434525C00711463180-
maltoseMaltoseME319435439186C00208946601-
methanolphosphateMethanolphosphateME31943613130-289520-
methionineMethionineME3194376137C00073483560-
methionine sulfoxideMethionine sulfoxideME319438158980C02989637588-
methyltetrahydrophenanthrenone NIST-ME319439--594337-
myo-inositolMyo-inositolME319440892C00137731021-
N-acetylmannosamineN-Acetyl-mannosamineME319361439281C00645735323-
N-methylalanineN-MethylalanineME3193625288725C02721286855-
nornicotineNornicotineME319441412C06524495231-
octadecanolStearyl alcoholME3194428221-755409-
octanol NISTn-OctanolME319443--247010-
oleamide NISTOleamideME3194445283387C19670849710-
oleic acidOleic acidME319445445639C00712779120-
ornithineOrnithineME3194466262C00077529384-
oxoprolineOxoprolineME3194477405C01879490513-
palmitic acidPalmitic acidME319448985C00249713809-
palmitoleic acidPalmitoleic acidME319449445638C08362706508-
pelargonic acidPelargonic acidME3194508158C01601399229-
phenylalaninePhenylalanineME3194516140C00079537804-
phenylethylaminePhenylethylamineME3194521001C05332510327-
phosphatePhosphoric acidME3194531004C00009345365-
phosphoethanolaminePhosphoethanolamineME3194541015C00346604335-
pipecolinic acidPipecolic acidME319455736316-404121-
piperidone2-PiperidinoneME31945612665-275603-
prolineProlineME319457145742C00148366784-
propane-1,3-diol NISTPropane-1,3-diolME31945810442C02457214380-
pseudo-uridinePseudouridineME31945915047C02067815904-
pyruvic acidPyruvic acidME3194601060C00022211668-
ribitolRibitolME319461827C00474578867-
ribonic acidRibonic acidME3194625460677C01685599680-
riboseRiboseME3194635779C00121553135-
salicylaldehyde2-HydroxybenzaldehydeME3194646998C06202406586-
salicylic acidSalicylic acidME319465338C00805480699-
serineSerineME3194665951C00065395020-
stearic acidStearic acidME3194675281C01530787622-
succinic acidSuccinic acidME3194681110C00042370737-
sucroseSucroseME3194695988C00089916229-
tagatoseD-TagatoseME319470439312C00795631835-
taurineTaurineME3194711123C00245558857-
threitolThreitolME319472169019C16884467595-
threonic acidThreonic acidME3194735460407C01620497572-
threonineThreonineME3194746288C00188410833-
tocopherol alphaalpha-TocopherolME319475638015C003761066526-
tocopherol gammagamma-TocopherolME31947692729C024831026121-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3194775810C01157484934-
tryptophanTryptophanME3194786305C00078780482-
tyrosineTyrosineME3194796057C00082671252-
uracilUracilME3194801174C00106385816-
ureaUreaME3194811176C00086290193-
uric acidUric acidME3194821175C00366730691-
uridineUridineME3194836029C00299856709-
valineValineME3194846287C00183309359-
xanthineXanthineME3194851188C00385701688-
xylitolXylitolME3194866912C00379567437-
xyloseXyloseME319487135191C00181543267-
xylulose NISTXyluloseME319488439205C00312555560-


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