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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
xylulose NISTXyluloseME368135439205C00312553450173
xyloseXyloseME368136135191C00181544100103
xylonolactoneD-Xylono-1,5-lactoneME368137439692C02266535176217
xylitolXylitolME3681386912C00379567437217
xanthosineXanthosineME36813964959C01762926133325
xanthineXanthineME3681401188C00385701688353
valineValineME3681416287C00183309359144
uridine-5-monophosphateUMPME3681426030C00105977896169
uridineUridineME3681436029C00299861508217
uric acidUric acidME3681441175C00366730691441
ureaUreaME3681451176C00086326574189
uracilUracilME3681461174C00106385816241
UDP-glucuronic acidUDP-glucuronic acidME36814717473C00167587601217
UDP GlcNAcUDP-N-acetylglucosamineME368148445675C00043627437226
tyrosineTyrosineME3681496057C00082671252218
tryptophanTryptophanME3681506305C00078780482202
trans-4-hydroxy-L-prolinetrans-4-HydroxyprolineME368151--459475158
tocopherol alpha-alpha-TocopherolME368152638015C003761067809237
thymineThymineME3681531135C00178420133255
thymidineThymidineME3681545789C00214349402170
threonineThreonineME3681556288C00188408777218
threonic acidThreonic acidME3681565460407C01620497572292
threitolThreitolME368157169019C16884467595217
taurineTaurineME3681581123C00245556690326
tartaric acidTartaric acidME368159444305C00898534291292
tagatoseD-TagatoseME368160439312C00795636627307
sucroseSucroseME3681615988C00089912704271
succinic acidSuccinic acidME3681621110C00042370737247
succinate semialdehydeSuccinic acid semialdehydeME3681631112C00232297024113
stearic acidStearic acidME3681645281C01530787622117
squaleneSqualeneME368165638072C0075197623795
sorbitolSorbitolME3681665780C00794667922217
sophoroseSophoroseME368167441432C08250965726307
shikimic acidShikimic acidME3681688742C00493611100204
serotoninSerotoninME3681695202C00780863824174
serineSerineME3681705951C00065395020218
salicylic acidSalicylic acidME368171338C00805480699267
saccharic acidGlucaric acidME36817233037C00818699211333
ribulose-5-phosphateRibulose 5-phosphateME368173439184C00199735908357
ribose-5-phosphateRibose 5-phosphateME368174439167C00117731837315
riboseRiboseME3681755779C00121553135217
ribonic acidRibonic acidME3681765460677C01685597646292
ribitolRibitolME368177827C00474575497217
raffinoseRaffinoseME368178439242C004921120886361
quinic acidQuinic acidME3681796508C00296634900345
pyruvic acidPyruvic acidME3681801060C00022213805174
pyrophosphatePyrophosphateME3681811023C00013327517110
putrescinePutrescineME3681821045C00138588119174
p-tolyl glucuronideP-Cresol glucuronideME368183154035-847531180
pseudo uridinePseudouridineME36818415047C02067813899217
propyleneglycolPropylene glycolME368185--177885117
prolineProlineME368186145742C00148364716142
pipecolinic acidPipecolic acidME3681876931662-404121156
pinitolPinitolME368188164619C03844622466260
phosphogluconic acidPhosphogluconic acidME36818991493C00345847013299
phosphoethanolaminePhosphoethanolamineME3681901015C00346604335299
phosphoenolpyruvatePhosphoenolpyruvic acidME36819158114173C00074518184211
phosphatePhosphoric acidME3681921004C00009348274314
phenylethylaminePhenylethylamineME3681931001C05332510327174
phenylalaninePhenylalanineME3681946140C00079537804218
pentobarbital NISTPentobarbitalME3681954737C07422605665141
pentitolArabitolME368196827D00061563801307
pentadecanoic acidPentadecylic acidME36819713849C16537674647117
pelargonic acidPelargonic acidME3681988158C01601399229117
parabanic acid NISTParabanic acidME36819967126C00802464991100
pantothenic acidPantothenic acidME3682006613C12276690887291
palmitoleic acidPalmitoleic acidME368201445638C08362704511311
palmitic acidPalmitic acidME368202985C00249713809313
oxoprolineOxoprolineME3682037405C01879485935156
oxalic acidOxalic acidME368204971C00209260513190
orotic acidOrotic acidME368205967C00295586317254
ornithineOrnithineME3682066262C00077527113142
oleic acidOleic acidME368207445639C00712781527339
oleamide NISTOleamideME3682085283387C19670849710144
octadecanolStearyl alcoholME3682098221-755409327
noradrenalineXi-NorepinephrineME368210439260C00547754841174
nicotinic acidNicotinic acidME368211938C00253366992180
nicotinamideNiacinamideME368212936C00153471602179
N-acetylputrescineN-AcetylputrescineME368213122356C02714595523174
N-acetylmannosamineN-Acetyl-mannosamineME368214439281C00645735323319
N-acetylgalactosamineN-Acetyl-D-galactosamineME368215440552C05021725570202
n-acetyl-d-hexosamineN-AcetylhexosamineME36821624139C03878746341319
N-acetylaspartic acidN-Acetylaspartic acidME36821765065C01042548028158
myristic acidMyristic acidME36821811005C06424634414285
myo-inositolMyo-inositolME368219892C00137730022305
methylhexose-ME368220560150-616058204
methyl O-D-galactopyranosideMethyl beta-D-galactosideME36822194214C03619630836204
methionine sulfoxideMethionine sulfoxideME368222158980C02989637588128
methionineMethionineME3682236137C00073483560176
metharbitalMetharbitalME368224--574906155
methanolphosphateMethanolphosphateME36822513130-289520241
melezitoseMelezitoseME36822692817C082431146704361
mannose-6-phosphateMannose 6-phosphateME36822765127C00275822643387
mannoseMannoseME36822818950C00159645856205
maltotrioseMaltotrioseME368229439586C018351176044361
maltoseMaltoseME368230439186C00208946601204
malic acidMalic acidME368231525C00711463180233
maleimideMaleimideME36823210935C07272245118154
maleic acidMaleic acidME368233444266C01384363611245
lyxoseLyxoseME368234439240C00476541086217
lyxitolL-ArabitolME368235439255C00532573587217
lysineLysineME3682365962C00047663483156
linolenic acidOctadecatrienoic acidME3682375280934C06427780376108
linoleic acidLinoleic acidME3682385280450C01595777414150
levoglucosanGlucosanME3682392724705-569637204
leucineLeucineME3682406106C00123346101158
lauric acidLauric acidME3682413893C02679547906117
lactoseLactoseME368242440995C00243935640191
lactobionic acidLactobionic acidME3682437314C04247972139204
lactitolLactitolME368244157355C13542959541361
lactic acidLactic acidME368245612C01432217657191
lactamideLactamideME36824694220-265698232
isoxylonic acid-ME36824710264C02341590775189
isothreonic acidD-Threonic acidME368248151152C00639489385292
isomaltoseIsomaltoseME368249439193C00252983199160
isoleucineIsoleucineME3682506306C00407359251158
isohexonic acid-ME368251604-698302333
isocitric acidIsocitric acidME3682525318532C00451617338245
inulotrioseLevanME36825322833608C013551131821361
inositol-4-monophosphateInositol 4-phosphateME368254440043C03546845976315
inosine 5'-monophosphateIMPME3682558582C001301016811169
inosineInosineME3682566021C00294897184230
indoxyl sulfateIndoxyl sulfateME36825710258-577333277
indole-3-propionic acid3-Indolepropionic acidME3682583744-732249202
indole-3-lactateIndolelactic acidME36825992904C02043764586202
indole-3-acetateIndoleacetic acidME368260802C00954684929202
hypoxanthineHypoxanthineME368261790C00262619128265
hydroxylamineHydroxylamineME368262787C00192250536146
hydroxycarbamate NISTHydroxycarbamic acidME36826316639161-325948278
hydrocinnamic acidHydrocinnamic acidME368264107C05629434422104
histidineHistidineME3682656274C00135663739154
hippuric acidHippuric acidME368266464C01586636836206
hexuronic acidHexuronic acidME368267--673957333
hexose-6-phosphateHexose 6-phosphateME368268208C02965806282387
hexadecaneHexadecaneME36826911006-52596485
heptadecanoic acidMargaric acidME36827010465-751309117
guanosineGuanosineME3682716802C00387954962324
glycyl tyrosineGly-TyrME36827292829-922071174
glycolic acidGlycolic acidME368273757C00160227215177
glycocyamineGuanidoacetic acidME368274763C00581511016171
glycineGlycineME368275750C00037368707248
glycerol-alpha-phosphatesn-Glycero-3-phosphateME368276754C03189590747357
glycerol-3-galactosideGalactosylglycerolME36827716048618C05401800205204
glycerolGlycerolME368278753C00116344428205
glyceric acidGlyceric acidME368279439194C00258377495189
glutathioneGlutathioneME368280124886C00051761296213
glutaric acidGlutaric acidME368281743C00489421596261
glutamineGlutamineME3682825961C00064600000156
glutamic acidGlutamic acidME36828333032C00025527086246
glucose-6-phosphateGlucose 6-phosphateME3682845958C00092820524387
glucose-1-phosphateGlucose 1-phosphateME36828565533C00103594647217
glucoseGlucoseME36828664689C00221659798319
gluconic acidGluconic acidME3682876857417C00800693148333
galacturonic acidGalacturonic acidME368288441476C08348678231333
galactose-6-phosphateGalactose 6-phosphateME368289439404C01113828102387
galactoseGalactoseME368290439357C00984648756319
galactonic acidGalactonic acidME368291128869C00880690882292
galactinolGalactinolME36829211727586C012351002731204
fumaric acidFumaric acidME368293444972C00122390016245
fucoseFucoseME368294439650C02095578299160
fructose-6-phosphateFructose 6-phosphateME368295440641C05345804279315
fructose-1-phosphateFructose 1-phosphateME368296439394C01094803180387
fructoseFructoseME368297439709C02336639442307
ethanolamineEthanolamineME368298700C00189344675174
ethanol phosphate NISTEthylphosphateME36829974190-317291211
erythronic acid lactoneErythrono-1,4-lactoneME3683005325915C02341407495247
erythritolErythritolME368301222285C00503471922217
dodecanolDodecanolME3683028193C02277507619243
docosahexaenoic acidDocosahexaenoic acidME368303445580C0642990281991
dihydrocholesterolDihydrocholesterolME36830466066C129781082070215
D-erythro-sphingosineSphingosineME3683055280335C00319859500204
dehydroascorbic acidL-Dehydroascorbic acidME368306440667C05422632888173
cytosinCytosineME368307597C00380486724254
cytidine-5-monophosphateCMPME3683086131C00055700635243
cytidineCytidineME368309--934269223
cystineCystineME368310595C01420804619218
cysteine-glycineCys-GlyME368311439498C01419715335220
cysteineCysteineME3683125862C00097500158220
creatinineCreatinineME368313588C00791502599115
conduritol-beta-epoxideConduritol epoxideME3683149989541-675635318
citrullineCitrullineME3683159750C00327621404157
citric acidCitric acidME368316311C00158615341273
cis-gondoic acidcis-Gondoic acidME3683175282768C16526851223367
cholic acidCholic acidME368318221493C054631109517253
cholesterolCholesterolME3683195997C001871078536129
cellobioseCellobioseME3683206255C01971932179204
capric acidCapric acidME3683212969C01571452386229
butyrolactam NIST2-PyrrolidinoneME36832212025-277199142
bisphosphoglycerol-ME368323102018-764660299
beta-sitosterolSitosterolME368324222284C017531128225129
beta-glycerolphosphatesn-Glycero-2-phosphateME3683252526C02979574470243
beta-gentiobiosebeta-GentiobioseME368326441422C08240974676204
beta-alaninebeta-AlanineME368327239C00099435564248
benzoic acidBenzoic acidME368328243C00180338990179
azelaic acidAzelaic acidME36832919347555C08261610551317
aspartic acidAspartic acidME3683305960C00049480387232
asparagineAsparagineME3683316267C00152553078188
ascorbic acidVitamin CME36833254670067C00072672898332
arachidonic acidArachidonic acidME368333444899C0021983433991
arachidic acidArachidic acidME36833410467C06425856421117
arabitolArabitolME36833594154C01904570685217
aminomalonateAminomalonic acidME368336100714C00872455754218
altrose-ME368337--651039157
alpha-ketoglutarate2-Oxoglutaric acidME36833851C00026507392198
alpha-aminoadipic acidalpha-Aminoadipic acidME36833992136C00956573295260
allantoic acidAllantoic acidME368340203C00499726050259
alanine-alanineAla-AlaME3683415484352C00993522546116
alanineAlanineME3683425950C00041243971116
adipic acidAdipic acidME368343196C06104474435111
adenosine-5-monophosphateAMPME3683446083C000201038688169
adenosineAdenosineME36834560961C00212918039236
adenineAdenineME368346190C00147646534264
aconitic acidcis-Aconitic acidME368347643757C00417586815229
6(5h)-benzo[c]phenanthridinone, 11,12-dihydro--ME368348362864-676571247
5-methoxytryptamine5-MethoxytryptamineME3683491833C05659864466174
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME368350439176C00170967036236
5-aminovaleric acid5-Aminopentanoic acidME368351138C00431536657174
4-hydroxybutyric acid4-Hydroxybutyric acidME36835210413C00989325027233
4-hydroxybenzoate4-Hydroxybenzoic acidME368353135C00156537925223
4-aminobutyric acid4-Aminopentanoic acidME368354119C00334488730304
3-phosphoglycerate3-Phosphoglyceric acidME368355724C00597610734227
3-hydroxybutyric acid3-Hydroxybutyric acidME36835692135C01089278632191
3-aminoisobutyric acid3-Aminoisobutanoic acidME36835764956C05145455267248
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME36835816069996C06474588886231
3,4-dihydroxycinnamic acidCaffeic acidME368359689043C01197748847219
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME36836010394C01744598147179
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME36836191C11457583925192
2-picolinic acidPicolinic acidME3683621018C10164383668180
2-monooleinMG 0:0/18:1(9Z)/0:0ME3683635319879-941794129
2-ketoisocaproic acidKetoleucineME36836470C0023331076189
2-hydroxyvaleric acid2-Hydroxyvaleric acidME36836598009-309587131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME36836643C02630506306247
2-hydroxybutanoic acid2-Hydroxybutyric acidME368367440864C05984259536131
2-deoxytetronic acid3,4-Dihydroxybutyric acidME368368150929-433456189
2-aminobutyric acid2-Aminobutyric acidME3683696657C02721286855130
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME36837023368901-397526241
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME368371250402-384796292
1-monostearinMG 18:0/0:0/0:0ME36837224699D01947959214203
1-monooleinMG 18:1(9Z)/0:0/0:0ME3683735283468-952623129
1-kestose1-KestoseME368374440080C036611123027361
1,5-anhydroglucitol1,5-AnhydrosorbitolME36837564960C07326633603217
1,3,5-trimethylcyanuric acid-ME368376--416269171
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME36837710787C02814521803239


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