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


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