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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
2,4-diaminobutyric acid2,4-Diaminobutyric acidME219152134490C03283-100
parabanic acid NISTParabanic acidME21906467126C00802-100
gamma-aminobutyric acidgamma-Aminobutyric acidME219112119C00334-102
xyloseXyloseME219029135191C00181-103
acetophenone NISTAcetophenoneME2191407410C07113-105
linolenic acidOctadecatrienoic acidME2190855280934C06427-108
creatinineCreatinineME219120588C00791-115
diacetone alcohol NISTDiacetone alcoholME21911731256--115
alanineAlanineME2191375950C00041-116
alanine-alanineAla-AlaME2191365484352C00993-116
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME219150192742--117
6-deoxyglucoseQuinovoseME219141441480C08352-117
heptadecanoic acidMargaric acidME21910010465--117
lauric acidLauric acidME2190883893C02679-117
myristic acidMyristic acidME21907711005C06424-117
pelargonic acidPelargonic acidME2190638158C01601-117
stearic acidStearic acidME2190475281C01530-117
methionine sulfoxideMethionine sulfoxideME219079158980C02989-128
1-monooleinMG 18:1(9Z)/0:0/0:0ME2191545283468--129
beta-sitosterolSitosterolME219126222284C01753-129
cholesterolCholesterolME2191245997C00187-129
oleic acidOleic acidME219070445639C00712-129
N-methylalanineN-MethylalanineME2190725288725C02721-130
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2190375810C01157-140
ornithineOrnithineME2190696262C00077-142
prolineProlineME219058145742C00148-142
valineValineME2190316287C00183-144
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME21914995433--145
hydroxylamineHydroxylamineME219095787C00192-146
linoleic acidLinoleic acidME2190865280450C01595-150
histidineHistidineME2190966274C00135-154
glutamineGlutamineME2191075961C00064-156
lysineLysineME2190845962C00047-156
oxoprolineOxoprolineME2190677405C01879-156
pipecolinic acidPipecolic acidME219059736316--156
citrullineCitrullineME2191229750C00327-157
isoleucineIsoleucineME2190926306C00407-158
leucineLeucineME2190876106C00123-158
n-acetylglutamateN-Acetylglutamic acidME21907670914C00624-158
fucoseFucoseME219114439650C02095-160
hexuronic acidHexuronic acidME219098152867--160
3-ureidopropionateUreidopropionic acidME219143---161
adenosine-5-monophosphateAMPME2191386083C00020-169
thymidineThymidineME2190405789C00214-170
xylulose NISTXyluloseME219028439205C00312-173
N-acetylglycine NISTN-AcetylglycineME21907510972--174
phenylethylaminePhenylethylamineME2190611001C05332-174
pyruvic acidPyruvic acidME2190541060C00022-174
methionineMethionineME2190806137C00073-176
glycolic acidGlycolic acidME219101757C00160-177
propane-1,3-diol NISTPropane-1,3-diolME21905710442C02457-177
benzoic acidBenzoic acidME219127243C00180-179
nicotinamideNiacinamideME219074936C00153-179
nicotinic acidNicotinic acidME219073938C00253-180
asparagineAsparagineME2191296267C00152-188
2-deoxytetronic acid3,4-Dihydroxybutyric acidME219151150929--189
glyceric acidGlyceric acidME219105439194C00258-189
ureaUreaME2190331176C00086-189
oxalic acidOxalic acidME219068971C00209-190
3-hydroxybutyric acid3-Hydroxybutyric acidME21914492135C01089-191
lactic acidLactic acidME219089612C01432-191
alpha-ketoglutarate2-Oxoglutaric acidME21913251C00026-198
dodecanoic acid, isopropanol ester NIST-ME219116---200
tryptophanTryptophanME2190366305C00078-202
Alpha-D-GalactoseHexoseME219133206C00738-204
shikimic acidShikimic acidME2190498742C00493-204
glycerolGlycerolME219104753C00116-205
mannoseMannoseME21908118950C00159-205
hippuric acidHippuric acidME219097464C01586-206
1,5-anhydroglucitol1,5-AnhydrosorbitolME21915564960C07326-217
glucoheptuloseGlucoheptuloseME2191115459879C02076-217
hexitolSorbitolME219099453C00392-217
lyxitolL-ArabitolME219083439255C00532-217
pseudo uridinePseudouridineME21905615047C02067-217
ribitolRibitolME219053827C00474-217
riboseRiboseME2190525779C00121-217
sorbitolSorbitolME2190485780C00794-217
xylitolXylitolME2190306912C00379-217
aminomalonateAminomalonic acidME219131100714C00872-218
cystineCystineME219118595C01420-218
phenylalaninePhenylalanineME2190626140C00079-218
serineSerineME2190505951C00065-218
threonineThreonineME2190416288C00188-218
tyrosineTyrosineME2190356057C00082-218
cysteineCysteineME2191195862C00097-220
aconitic acidcis-Aconitic acidME219139643757C00417-229
capric acidCapric acidME2191252969C01571-229
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME21914516069996C06474-231
aspartic acidAspartic acidME2191285960C00049-232
lactamideLactamideME21909094220--232
4-hydroxybutyric acid4-Hydroxybutyric acidME21914210413C00989-233
malic acidMalic acidME219082525C00711-233
2-ketoglucose dimethylacetal NISTD-GlucosoneME219147159630--234
tocopherol alpha-alpha-TocopherolME219038638015C00376-237
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME21915623368901--241
uracilUracilME2190341174C00106-241
fumaric acidFumaric acidME219113444972C00122-245
isocitric acidIsocitric acidME2190935318532C00451-245
glutamic acidGlutamic acidME21910833032C00025-246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME21914843C02630-247
succinic acidSuccinic acidME2190461110C00042-247
glycineGlycineME219102750C00037-248
thymineThymineME2190391135C00178-255
glutaric acidGlutaric acidME219106743C00489-261
hypoxanthineHypoxanthineME219094790C00262-265
sucroseSucroseME2190455988C00089-271
citric acidCitric acidME219123311C00158-273
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME219153250402--292
isothreonic acidD-Threonic acidME219091151152C00639-292
tartaric acidTartaric acidME219044444305C00898-292
threonic acidThreonic acidME2190425460407C01620-292
myo-inositolMyo-inositolME219078892C00137-305
fructoseFructoseME219115439709C02336-307
palmitoleic acidPalmitoleic acidME219065445638C08362-311
palmitic acidPalmitic acidME219066985C00249-313
phosphatePhosphoric acidME2190601004C00009-314
conduritol-beta-epoxide minorConduritol epoxideME2191219989541--318
glucoseGlucoseME21911064689C00221-319
taurineTaurineME2190431123C00245-326
octadecanolStearyl alcoholME2190718221--327
alloxanoic acidAlloxanoic acidME21913494146--331
saccharic acidGlucaric acidME21905133037C00818-333
glycerol-alpha-phosphatesn-Glycero-3-phosphateME219103754C03189-357
glucose-6-phosphateGlucose 6-phosphateME219109439427C01172-387
allantoic acidAllantoic acidME219135---428
uric acidUric acidME2190321175C00366-441
pyrophosphatePyrophosphateME2190551023C00013-451
2-ketoisocaproic acidKetoleucineME21914670C00233-89
arachidonic acidArachidonic acidME219130444899C00219-91


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