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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
xylulose NISTXyluloseME251973439205C00312553450173
xyloseXyloseME251974135191C00181544100103
xylonic acidXylonic acidME25197510264C02341590775189
xylitolXylitolME2519766912C00379567437217
xanthineXanthineME2519771188C00385701688353
valineValineME2519786287C00183313502144
urocanic acidUrocanic acidME251979736715C00785699866267
uric acidUric acidME2519801175C00366731038441
ureaUreaME2519811176C00086328888189
uracilUracilME2519821174C00106385816241
tyrosolTyrosolME25198310393C06044510842179
tyrosineTyrosineME2519846057C00082671252218
tyramineTyramineME2519855610C00483664737174
tryptophanTryptophanME2519866305C00078780482202
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2519875810C01157484934140
tocopherol gamma-gamma-TocopherolME25198892729C024831026121223
tocopherol alpha-alpha-TocopherolME251989638015C003761066526237
thymineThymineME2519901135C00178420133255
thymidineThymidineME2519915789C00214349402170
threonineThreonineME2519926288C00188408777218
threonic acidThreonic acidME2519935460407C01620497572292
threitolThreitolME251994169019C16884467595217
taurineTaurineME2519951123C00245556690326
tagatoseD-TagatoseME251996439312C00795636627307
sucroseSucroseME2519975988C00089912704271
succinic acidSuccinic acidME2519981110C00042370608247
stearic acidStearic acidME2519995281C01530787622117
sophoroseSophoroseME252000441432C08250962064307
serineSerineME2520015951C00065395020218
sarcosineSarcosineME2520027311726C00213266344116
riboseRiboseME2520035779C00121553135217
ribonic acidRibonic acidME2520045460677C01685599680292
ribitolRibitolME252005827C00474575497217
quinolinic acidQuinolinic acidME2520061066C03722595597296
pyruvic acidPyruvic acidME2520071060C00022211668174
putrescinePutrescineME2520081045C00138588119174
pseudo-uridinePseudouridineME25200915047C02067815904217
propane-1,3-diol NISTPropane-1,3-diolME25201010442C02457214380177
prolineProlineME252011145742C00148364716142
piperidone2-PiperidinoneME25201212665-275603156
pipecolinic acidPipecolic acidME2520136931662-404121156
pinitolPinitolME252014164619C03844622466260
pimelic acidPimelic acidME252015385C02656523205155
phytanic acidPhytanic acidME25201610380830-770604159
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME2520179378C03672654036308
phosphoethanolaminePhosphoethanolamineME2520181015C00346603912299
phosphatePhosphoric acidME2520191004C00009345365314
phenylalaninePhenylalanineME2520206140C00079537804218
phenylacetic acidPhenylacetic acidME252021999C07086368081164
pentadecanoic acidPentadecylic acidME25202213849C16537674647117
pelargonic acidPelargonic acidME2520238158C01601399229117
parabanic acid NISTParabanic acidME25202467126C00802464991100
pantothenic acidPantothenic acidME2520256613C12276690887291
palmitoleic acidPalmitoleic acidME252026445638C08362704511311
palmitic acidPalmitic acidME252027985C00249715434313
oxoprolineOxoprolineME2520287405C01879485935156
oxalic acidOxalic acidME252029971C00209260513190
orotic acidOrotic acidME252030967C00295586317254
ornithineOrnithineME2520316262C00077527113142
oleic acidOleic acidME252032445639C00712781527339
oleamide NISTOleamideME2520335283387C19670849710144
octadecylglycerolMG O-18:0ME2520343681C13858928878205
octadecanolStearyl alcoholME2520358221-755409327
O-acetylserineO-AcetylserineME25203699478C00979414914174
norvalineNorvalineME25203765098C01826326715144
noradrenalineXi-NorepinephrineME252038439260C00547754841174
nonadecanoic acidNonadecylic acidME25203912591C16535822782117
nicotinic acidNicotinic acidME252040938C00253366992180
N-acetylputrescineN-AcetylputrescineME252041122356C02714595523174
N-acetylornithineN-AcetylornithineME252042439232C00437694651174
N-acetylglutamateN-Acetylglutamic acidME25204370914C00624604748216
N-acetylgalactosamineN-Acetyl-D-galactosamineME252044440552C05021725570202
n-acetyl-d-hexosamineN-AcetylhexosamineME25204524139C03878746341319
N-acetylaspartic acidN-Acetylaspartic acidME25204665065C01042548028158
myristic acidMyristic acidME25204711005C06424634414285
myo-inositolMyo-inositolME252048892C00137731021305
methyl O-D-galactopyranosideMethyl beta-D-galactosideME25204994214C03619630836204
methionine sulfoxideMethionine sulfoxideME252050158980C02989637588128
methionineMethionineME2520516137C00073483560176
methanolphosphateMethanolphosphateME25205213130-289520241
melezitoseMelezitoseME25205392817C082431146704361
mannonic acid NISTMannonic acidME2520543246006C00514689527333
mannitolMannitolME2520556251C00392663215319
maltotrioseMaltotrioseME252056439586C018351176044361
maltoseMaltoseME252057439186C00208954710204
malonic acidMalonic acidME252058867C00383305372233
malic acidMalic acidME252059525C00711463180233
lyxoseLyxoseME252060439240C00476541086217
lyxitolL-ArabitolME252061439255C00532573587217
lysineLysineME2520625962C00047663483156
lithocholic acidLithocholic acidME2520639903C039901104161215
linoleic acidLinoleic acidME2520645280450C01595777414150
lignoceric acidLignoceric acidME25206511197C08320978597132
levoglucosanGlucosanME2520662724705-569637204
leucineLeucineME2520676106C00123346101158
lanosterolLanosterolME252068246983C017241129573393
lactoseLactoseME252069440995C00243935640191
lactic acidLactic acidME252070612C01432215238191
lactamideLactamideME25207194220-265698232
ketohexoseKetohexoseME252072439312C00795627414307
isothreonic acidD-Threonic acidME252073151152C00639489385292
isoriboseD-RibopyranoseME25207410975657-558730217
isomaltoseIsomaltoseME252075439193C00252983199160
isoleucineIsoleucineME2520766306C00407356963158
isoheptadecanoic acid NIST15-Methylpalmitic acidME252077164860-737927117
inositol-4-monophosphateInositol 4-phosphateME252078440043C03546845976315
inosineInosineME2520796021C00294897184230
indole-3-propionic acid3-Indolepropionic acidME2520803744-732249202
indole-3-lactateIndolelactic acidME25208192904C02043764586202
indole-3-acetateIndoleacetic acidME252082802C00954684929202
hypoxanthineHypoxanthineME252083790C00262619128265
hydroxylamineHydroxylamineME252084787C00192253158146
hydroxycarbamate NISTHydroxycarbamic acidME25208516639161-325318278
hydrocinnamic acidHydrocinnamic acidME252086107C05629434422104
homoserineHomoserineME25208712647C00263443878218
histidineHistidineME2520886274C00135664395154
hexuronic acidHexuronic acidME252089152867-667373160
hexadecylglycerol NISTMG O-16:0ME25209072733C13859867593205
hexadecaneHexadecaneME25209111006-52596485
heptadecanoic acidMargaric acidME25209210465-751309117
guanineGuanineME252093764C00242744307352
glycolic acidGlycolic acidME252094757C00160227636177
glycineGlycineME252095750C00037368707248
glycerol-alpha-phosphatesn-Glycero-3-phosphateME252096754C03189590747357
glycerol-3-galactosideGalactosylglycerolME25209716048618C05401800205204
glycerolGlycerolME252098753C00116344466205
glyceric acidGlyceric acidME252099439194C00258377495189
glutaric acidGlutaric acidME252100743C00489421596261
glutamineGlutamineME2521015961C00064600000156
glutamic acidGlutamic acidME25210233032C00025527086246
glucose-6-phosphateGlucose 6-phosphateME252103439427C01172812757387
glucoseGlucoseME25210464689C00221657941319
gluconic acid lactoneGluconolactoneME2521057027C00198645815220
gluconic acidGluconic acidME2521066857417C00800693148333
glucoheptuloseGlucoheptuloseME2521075459879C02076828606217
galacturonic acidGalacturonic acidME252108441476C08348669400333
galactoseGalactoseME252109439357C00984648756319
fumaric acidFumaric acidME252110444972C00122390775245
fucoseFucoseME252111439650C02095578299160
fructoseFructoseME252112439709C02336641863307
ethanolamineEthanolamineME252113700C00189344719174
ethanol phosphate NISTEthylphosphateME25211474190-317291211
erythritolErythritolME252115222285C00503471922217
elaidic acidElaidic acidME252116637517C01712784781129
docosahexaenoic acidDocosahexaenoic acidME252117445580C0642990281991
dihydrocholesterolDihydrocholesterolME25211866066C129781082070215
D-erythro-sphingosineSphingosineME2521195280335C00319859500204
daidzeinDaidzeinME2521205281708C102081013259398
cytosinCytosineME252121597C00380486724254
cysteineCysteineME2521225862C00097500158220
creatinineCreatinineME252123588C00791502599115
conduritol-beta-epoxideConduritol epoxideME2521249989541-675635318
citric acidCitric acidME252125311C00158617342273
citramalic acidCitramalic acidME2521261081C00815456203247
cis-gondoic acidcis-Gondoic acidME2521275282768C16526851223367
cholesterolCholesterolME2521285997C001871076014129
chenodeoxycholic acidChenodeoxycholic acidME25212910133C025281114867255
cellobioseCellobioseME2521306255C01971932179204
capric acidCapric acidME2521312969C01571451790229
biphenylBiphenylME2521327095C06588426625154
beta-glutamic acidIsoglutamic acidME25213373064C05574525547232
beta-alaninebeta-AlanineME252134239C00099435564248
benzoic acidBenzoic acidME252135243C00180339067179
behenic acidBehenic acidME2521368215C08281920648117
aspartic acidAspartic acidME2521375960C00049480387232
asparagineAsparagineME2521386267C00152553078188
arachidonic acidArachidonic acidME252139444899C0021983433991
arachidic acidArachidic acidME25214010467C06425856421117
arabitolArabitolME25214194154C01904570685217
arabinoseArabinoseME2521426902C00216550621217
aminomalonateAminomalonic acidME252143100714C00872455754218
alpha-ketoglutarate2-Oxoglutaric acidME25214451C00026507392198
alpha-aminoadipic acidalpha-Aminoadipic acidME25214592136C00956573295260
alanine-alanineAla-AlaME2521465484352C00993522546116
alanineAlanineME2521475950C00041243971116
adipic acidAdipic acidME252148196C06104474435111
adenineAdenineME252149190C00147646701264
6-hydroxynicotinic acid6-Hydroxynicotinic acidME25215072924C01020510614268
6-deoxyglucoseQuinovoseME252151441480C08352573663117
5-aminovaleric acid5-Aminopentanoic acidME252152138C00431536657174
4-pyridoxic acid4-Pyridoxic acidME2521536723C00847673225309
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME252154127C00642542795179
4-hydroxymandelic acid4-Hydroxymandelic acidME252155328C11527601658267
4-hydroxybutyric acid4-Hydroxybutyric acidME25215610413C00989325027233
4-hydroxybenzoate4-Hydroxybenzoic acidME252157135C00156537925223
3-ureidopropionateUreidopropionic acidME252158111C02642554966161
3-phenyllactic acidPhenyllactic acidME2521593848-516011193
3-hydroxypropionic acidHydroxypropionic acidME25216068152C01013269265177
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME25216112122C05593527648164
3-hydroxybutyric acid3-Hydroxybutyric acidME25216292135C01089278829191
3-hydroxybenzoic acid3-Hydroxybenzoic acidME2521637420C00587507599267
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2521641662C03761521554247
3-aminoisobutyric acid3-Aminoisobutanoic acidME25216564956C05145452655248
3,6-anhydro-D-glucose3,6-Anhydro-glucoseME25216616069993C06478587617231
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME25216716069996C06474588886231
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME252168348154C10447673176179
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME25216910394C01744598147179
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME25217091C11457583925192
2-monooleinMG 0:0/18:1(9Z)/0:0ME2521715319879-941794129
2-methylglutaric acid2-Methylglutaric acidME252172--427677172
2-ketoisocaproic acidKetoleucineME25217370C0023331076189
2-ketoadipic acidOxoadipic acidME25217471C00322331841100
2-isopropylmalic acid2-Isopropylmalic acidME2521755280523C02504508690275
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME25217699824-323093159
2-hydroxyglutaric acid2-Hydroxyglutaric acidME25217743C02630506306247
2-hydroxybutanoic acid2-Hydroxybutyric acidME252178440864C05984258161131
2-deoxytetronic acid3,4-Dihydroxybutyric acidME252179150929-433456189
2'-deoxyguanosineDeoxyguanosineME252180187790C00330962182295
2-deoxyerythritol2-DeoxyerythritolME25218118302-354388117
2-aminobutyric acid2-Aminobutyric acidME2521826657C02721285825130
2,8-dihydroxyquinolineQuinoline-2,8-diolME25218397250C06342626989290
2,6-diaminopimelic acid2,6-Diaminopimelic acidME252184865-686035200
2,4-diaminobutyric acid2,4-Diaminobutyric acidME252185134490C03283570766174
1-monopalmitinMG 16:0/0:0/0:0ME25218614900C01885901749129
1-monooleinMG 18:1(9Z)/0:0/0:0ME2521875283468-952623129
1-hexadecanolCetyl alcoholME2521882682C00823679596299
1-deoxyerythritol1-DeoxyerythritolME25218920497-357129117
1,5-anhydroglucitol1,5-AnhydrosorbitolME25219064960C07326633603217
1,3-diaminopropane1,3-DiaminopropaneME252191428C00986546741174
1,3,5-trimethylcyanuric acid-ME252192--416269171


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