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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-hydroxyglutaric acid2-Hydroxyglutaric acidME35842643C02630506306247
2-ketoisocaproic acidKetoleucineME35842370C0023331076189
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME35842091C11457583925192
4-aminobutyric acid4-Aminopentanoic acidME358409119C00334488730304
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME358405127C00642542795179
4-hydroxybenzoate4-Hydroxybenzoic acidME358408135C00156537925223
5-aminovaleric acid5-Aminopentanoic acidME358403138C00431536657174
adenineAdenineME358398190C00147646534264
allantoic acidAllantoic acidME358394203C00499723539259
beta-alaninebeta-AlanineME358385239C00099435564248
benzoic acidBenzoic acidME358386243C00180339067179
butane-2,3-diol NIST2,3-ButanediolME358382262C03046205778117
catecholPyrocatecholME358378289C00090376695254
citric acidCitric acidME358373311C00158617342273
salicylic acidSalicylic acidME358248338C00805480699267
caprylic acidCaprylic acidME358379379C06423343457201
hexitolSorbitolME358335453C00392704741217
malic acidMalic acidME358303525C00711463180233
creatinineCreatinineME358371588C00791502599115
cystineCystineME358369595C01420804619218
cytosinCytosineME358368597C00380486724254
lactic acidLactic acidME358315612C01432219848191
ethanolamineEthanolamineME358359700C00189340131174
glutaric acidGlutaric acidME358347743C00489421596261
glycineGlycineME358342750C00037368707248
glycerolGlycerolME358345753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME358343754C03189590747357
glycolic acidGlycolic acidME358341757C00160227636177
guanineGuanineME358339764C00242744307352
hydroquinoneHydroquinoneME358330785C00530422583239
hypoxanthineHypoxanthineME358328790C00262619128265
indole-3-acetateIndoleacetic acidME358327802C00954684929202
pentitolArabitolME358271827D00061563801307
ribitolRibitolME358252827C00474575497217
malonic acidMalonic acidME358302867C00383305372233
myo-inositolMyo-inositolME358297892C00137730022305
nicotinamideNiacinamideME358288936C00153469827179
nicotinic acidNicotinic acidME358287938C00253366992180
orotic acidOrotic acidME358279967C00295586317254
oxamic acidOxamic acidME358278974C01444338255190
palmitic acidPalmitic acidME358276985C00249713809313
phenolPhenolME358270996C00146218927151
phenylacetic acidPhenylacetic acidME358269999C07086368081164
phenylethylaminePhenylethylamineME3582671001C05332513300174
phosphatePhosphoric acidME3582661004C00009345365314
2-picolinic acidPicolinic acidME3584211018C10164383668180
putrescinePutrescineME3582571045C00138588119174
pyrogallol1,2,3-TrihydroxybenzeneME3582561057C01108495011239
pyruvic acidPyruvic acidME3582551060C00022213805174
taurineTaurineME3582401123C00245558857326
thymineThymineME3582351135C00178420133255
uracilUracilME3582231174C00106385735241
uric acidUric acidME3582221175C00366730691441
xanthineXanthineME3582171188C00385701688353
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME3584131662C03761521554247
capric acidCapric acidME3583802969C01571452386229
octadecylglycerolMG O-18:0ME3582833681C13858928878205
indole-3-propionic acid3-Indolepropionic acidME3583253744-732249202
kynurenic acidKynurenic acidME3583173845C01717726186231
3-phenyllactic acidPhenyllactic acidME3584103848-516011193
resorcinolResorcinolME3582535054C01751411619239
stearic acidStearic acidME3582435281C01530787622117
tyramineTyramineME3582275610C00483664737174
riboseRiboseME3582505779C00121553135217
sorbitolSorbitolME3582445780C00794667922217
thymidineThymidineME3582365789C00214349402170
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3582305810C01157484934140
cysteineCysteineME3583705862C00097500158220
alanineAlanineME3583965950C00041243971116
serineSerineME3582475951C00065395020218
aspartic acidAspartic acidME3583885960C00049480387232
glutamineGlutamineME3583485961C00064600315156
lysineLysineME3583075962C00047663483156
sucroseSucroseME3582425988C00089915139271
cholesterolCholesterolME3583765997C001871078536129
inosineInosineME3583246021C00294897434230
uridineUridineME3582216029C00299861508217
tyrosineTyrosineME3582266057C00082671252218
leucineLeucineME3583126106C00123346101158
methionineMethionineME3583006137C00073483560176
phenylalaninePhenylalanineME3582686140C00079537804218
cellobioseCellobioseME3583776255C01971932179204
ornithineOrnithineME3582806262C00077527113142
asparagineAsparagineME3583896267C00152553078188
histidineHistidineME3583336274C00135663790154
valineValineME3582196287C00183313502144
threonineThreonineME3582376288C00188408777218
tryptophanTryptophanME3582286305C00078780482202
isoleucineIsoleucineME3583216306C00407359251158
quinic acidQuinic acidME3582546508C00296634900345
pantothenic acidPantothenic acidME3582746613C12276690887291
2-aminobutyric acid2-Aminobutyric acidME3584326657C02721285825130
4-pyridoxic acid4-Pyridoxic acidME3584046723C00847673225309
guanosineGuanosineME3583386802C00387954962324
xylitolXylitolME3582156912C00379567437217
biphenylBiphenylME3583837095C06588426625154
oxoprolineOxoprolineME3582777405C01879485935156
acetophenone NISTAcetophenoneME3583997410C07113238615105
3-hydroxybenzoic acid3-Hydroxybenzoic acidME3584127420C00587507599267
trehaloseTrehaloseME3582297427C01083948197191
behenic acidBehenic acidME3583878215C08281920648117
vanillic acidVanillic acidME3582188468C06672597845297
shikimic acidShikimic acidME3582468742C00493611100204
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME3582659378C03672654036308
lithocholic acidLithocholic acidME3583089903C039901104161215
homocystineDL-HomocystineME35833210010C01817874865128
tyrosolTyrosolME35822510393C06044510842179
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME35841910394C01744598147179
4-hydroxybutyric acid4-Hydroxybutyric acidME35840710413C00989325027233
propane-1,3-diol NISTPropane-1,3-diolME35825910442C02457214380177
heptadecanoic acidMargaric acidME35833710465-751309117
arachidic acidArachidic acidME35839110467C06425856421117
maleimideMaleimideME35830410935C07272245118154
N-acetylglycine NISTN-AcetylglycineME35829110972-356109174
myristic acidMyristic acidME35829611005C06424634414285
lignoceric acidLignoceric acidME35831011197C08320978597132
lactuloseLactuloseME35831411333C07064929908204
7-methylguanine NIST7-MethylguanineME35840011361C02242768706294
butyrolactam NIST2-PyrrolidinoneME35838112025-277199142
nonadecanoic acidNonadecylic acidME35828612591C16535822782117
homoserineHomoserineME35833112647C00263443878218
piperidone2-PiperidinoneME35826112665-275603156
pentadecanoic acidPentadecylic acidME35827213849C16537674647117
1-monopalmitinMG 16:0/0:0/0:0ME35843614900C01885901749129
pseudo uridinePseudouridineME35825815047C02067813899217
UDP-glucuronic acidUDP-glucuronic acidME35822417473C00167585473217
2-deoxyerythritol2-DeoxyerythritolME35843018302-354388117
1-deoxyerythritol1-DeoxyerythritolME35843820497-357129117
n-acetyl-d-hexosamineN-AcetylhexosamineME35829424139C03878746341319
1-monostearinMG 18:0/0:0/0:0ME35843524699D01947959214203
glutamic acidGlutamic acidME35834933032C00025529100246
saccharic acidGlucaric acidME35824933037C00818699211333
diglycerolDiglycerolME35836442953-591074103
adenosineAdenosineME35839760961C00212918039236
glucoseGlucoseME35835164689C00221650867319
3-aminoisobutyric acid3-Aminoisobutanoic acidME35841464956C05145452655248
xanthosineXanthosineME35821664959C01762926133325
N-acetylaspartic acidN-Acetylaspartic acidME35829565065C01042548028158
norvalineNorvalineME35828565098C01826326715144
glucose-1-phosphateGlucose 1-phosphateME35835065533C00103594647217
dihydrocholesterolDihydrocholesterolME35836366066C129781082070215
parabanic acid NISTParabanic acidME35827367126C00802464991100
N-acetylglutamateN-Acetylglutamic acidME35829270914C00624604748216
hexadecylglycerol NISTMG O-16:0ME35833672733C13859867593205
monomyristinMG 14:0ME35829879050-838305343
sinapinic acidSinapic acidME35824580642C20448788416338
tocopherol acetateTocopherol acetateME35823486472C132021081080164
tocopherol delta- NISTdelta-TocopherolME35823292094C14151997765208
3-hydroxybutyric acid3-Hydroxybutyric acidME35841192135C01089278632191
alpha-aminoadipic acidalpha-Aminoadipic acidME35839392136C00956573295260
tocopherol gamma-gamma-TocopherolME35823192729C024831026121223
indole-3-lactateIndolelactic acidME35832692904C02043764586202
lactamideLactamideME35831694220-265698232
2-hydroxyvaleric acid2-Hydroxyvaleric acidME35842498009-309587131
O-acetylserineO-AcetylserineME35828499478C00979414914174
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME35842599824-323093159
aminomalonateAminomalonic acidME358392100714C00872455754218
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME358439119054-651472318
phytosphingosinePhytosphingosineME358264122121C12144910976204
N-acetylputrescineN-AcetylputrescineME358289122356C02714595523174
2,4-diaminobutyric acid2,4-Diaminobutyric acidME358434134490C03283570766174
xyloseXyloseME358214135191C00181543267103
prolineProlineME358260145742C00148364716142
2-deoxytetronic acid3,4-Dihydroxybutyric acidME358428150929-433456189
isopentadecanoic acidIsopentadecylic acidME358320151014-663518117
isothreonic acidD-Threonic acidME358319151152C00639489385292
hexuronic acidHexuronic acidME358334152867-667373160
methionine sulfoxideMethionine sulfoxideME358299158980C02989637588128
pinitolPinitolME358263164619C03844622466260
isoheptadecanoic acid NIST15-Methylpalmitic acidME358322164860-737927117
threitolThreitolME358239169019C16884467595217
2'-deoxyguanosineDeoxyguanosineME358429187790C00330959764280
cholic acidCholic acidME358375221493C054631109517253
beta-sitosterolSitosterolME358384222284C017531128225129
erythritolErythritolME358361222285C00503471922217
deoxycholic acidDeoxycholic acidME358366222528C044831106875255
lanosterolLanosterolME358313246983C017241129573393
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME358417348154C10447673176179
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME358402439176C00170967036236
maltoseMaltoseME358301439186C00208946601204
glyceric acidGlyceric acidME358346439194C00258377495189
xylulose NISTXyluloseME358213439205C00312553450173
N-acetylornithineN-AcetylornithineME358290439232C00437694651174
lyxoseLyxoseME358305439240C00476541086217
lyxitolL-ArabitolME358306439255C00532573587217
N-acetyl-D-mannosamineN-Acetyl-mannosamineME358293439281C00645731858319
ketohexoseKetohexoseME358318439312C00795627414307
tagatoseD-TagatoseME358241439312C00795629499307
galactoseGalactoseME358353439357C00984648756319
erythroseErythroseME358360439574C01796443306205
fucoseFucoseME358356439650C02095578299160
fructoseFructoseME358357439709C02336641863307
inositol-4-monophosphateInositol 4-phosphateME358323440043C03546845976315
2-hydroxybutanoic acid2-Hydroxybutyric acidME358427440864C05984258161131
galacturonic acidGalacturonic acidME358352441476C08348669400333
6-deoxyglucoseQuinovoseME358401441480C08352573663117
arachidonic acidArachidonic acidME358390444899C0021983711591
fumaric acidFumaric acidME358355444972C00122390016245
docosahexaenoic acidDocosahexaenoic acidME358362445580C0642990281991
palmitoleic acidPalmitoleic acidME358275445638C08362706508311
oleic acidOleic acidME358281445639C00712781527339
ferulic acidtrans-Ferulic acidME358358445858C01494732779338
4-hydroxycinnamic acidcis-p-Coumaric acidME358406637542C00811674616219
tocopherol alpha-alpha-TocopherolME358233638015C003761066526237
3,4-dihydroxycinnamic acidCaffeic acidME358418689043C01197748847219
urocanic acidUrocanic acidME358220736715C00785699866267
levoglucosanGlucosanME3583112724705-569637204
glycyl-prolineGly-ProME3583403013625-691662174
D-erythro-sphingosineSphingosineME3583655280335C00319859500204
linoleic acidLinoleic acidME3583095280450C01595777414150
daidzeinDaidzeinME3583675281708C102081013259398
cis-gondoic acidcis-Gondoic acidME3583745282768C16526847372367
oleamide NISTOleamideME3582825283387C19670849710144
1-monooleinMG 18:1(9Z)/0:0/0:0ME3584375283468-952623129
2-monooleinMG 0:0/18:1(9Z)/0:0ME3584225319879-941794129
threonic acidThreonic acidME3582385460407C01620497572292
ribonic acidRibonic acidME3582515460677C01685597646292
alanine-alanineAla-AlaME3583955484352C00993522546116
pipecolinic acidPipecolic acidME3582626931662-404121156
conduritol-beta-epoxideConduritol epoxideME3583729989541-675635318
galactinolGalactinolME35835411727586C012351017580204
glycerol-3-galactosideGalactosylglycerolME35834416048618C05401800205204
3,6-anhydro-D-glucose3,6-Anhydro-glucoseME35841516069993C06478587617231
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME35841616069996C06474588886231
hydroxycarbamate NISTHydroxycarbamic acidME35832916639161-325318278
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME35843323368901-397526241
2-aminophenol2-AminophenolME358431--438445150


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