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


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