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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 NISTXyluloseME425129439205C00312553450173
xyloseXyloseME425130135191C00181546699307
xylonolactone NISTD-Xylono-1,5-lactoneME425131439692C02266535176217
xylitolXylitolME4251326912C00379567437217
xanthineXanthineME4251331188C00385701688353
valineValineME4251346287C00183313502144
uridineUridineME4251356029C00299861508217
uric acidUric acidME4251361175C00366730691441
ureaUreaME4251371176C00086329351189
uracilUracilME4251381174C00106385816241
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME425139445675C00043623789226
UDP-glucuronic acidUDP-glucuronic acidME42514017473C00167587601217
tyrosineTyrosineME4251416057C00082671252218
tryptophanTryptophanME4251426305C00078780482202
threonineThreonineME4251436288C00188409568218
threonic acidThreonic acidME4251445460407C01620497572292
threitolThreitolME425145169019C16884467595217
taurineTaurineME4251461123C00245556690326
tartaric acidTartaric acidME425147444305C00898534291292
sulfuric acidTG 16:0_18:1_18:1ME4251481118C00059282411227
sucroseSucroseME4251495988C00089915139271
succinic acidSuccinic acidME4251501110C00042370608247
stearic acidStearic acidME4251515281C01530787622117
sorbitolSorbitolME4251525780C00794667922217
shikimic acidShikimic acidME4251538742C00493611100204
serineSerineME4251545951C00065395020218
saccharic acidGlucaric acidME42515533037C00818699211333
ribulose-5-phosphateRibulose 5-phosphateME425156439184C00199735908357
ribose-5-phosphateRibose 5-phosphateME425157439167C00117731837315
riboseRiboseME4251585779C00121553135217
ribonic acidRibonic acidME4251595460677C01685599680292
ribonic acid isomerRibonic acidME4251605460677C01685597646292
ribitolRibitolME425161827C00474575497217
quinic acidQuinic acidME4251626508C00296632897345
pyruvic acidPyruvic acidME4251631060C00022211003174
pyrophosphatePyrophosphateME4251641023C00013327517110
putrescinePutrescineME4251651045C00138588119174
pseudo uridinePseudouridineME42516615047C02067813899217
propane-1,3-diol NISTPropane-1,3-diolME42516710442C02457214380177
prolineProlineME425168145742C00148364716142
phosphogluconic acidPhosphogluconic acidME42516991493C00345847013299
phosphoethanolaminePhosphoethanolamineME4251701015C00346604335299
phosphoenolpyruvatePhosphoenolpyruvic acidME42517158114173C00074518184211
phosphatePhosphoric acidME4251721004C00009345365314
phenylethylaminePhenylethylamineME4251731001C05332510327174
phenylalaninePhenylalanineME4251746140C00079537804218
pentadecanoic acidPentadecylic acidME42517513849C16537674647117
pelargonic acidPelargonic acidME4251768158C01601399229117
pantothenic acidPantothenic acidME4251776613C12276690887291
palmitoleic acidPalmitoleic acidME425178445638C08362706508311
palmitic acidPalmitic acidME425179985C00249713809313
oxoprolineOxoprolineME4251807405C01879485935156
oxalic acidOxalic acidME425181971C00209260513190
ornithineOrnithineME4251826262C00077594051174
oleic acidOleic acidME425183445639C00712781527339
O-phosphoserineDL-O-PhosphoserineME42518457689797C01005624355356
noradrenalineXi-NorepinephrineME425185439260C00547754841174
nicotinic acidNicotinic acidME425186938C00253353934180
nicotinamideNiacinamideME425187936C00153471602179
n-acetyl-d-hexosamineN-AcetylhexosamineME42518824139C03878746341319
myristic acidMyristic acidME42518911005C06424634414285
myo-inositolMyo-inositolME425190892C00137730022305
methionine sulfoxideMethionine sulfoxideME425191158980C02989637588128
methionineMethionineME4251926137C00073483560176
methanolphosphateMethanolphosphateME42519313130-289520241
mannoseMannoseME42519418950C00159645856205
mannitolMannitolME4251956251C00392663215319
maltotrioseMaltotrioseME425196439586C018351176044361
maltoseMaltoseME425197439186C00208946601204
malic acidMalic acidME425198525C00711463180233
lyxitolL-ArabitolME425199439255C00532573587217
lysineLysineME4252005962C00047663483156
linoleic acidLinoleic acidME4252015280450C01595777414150
levoglucosanGlucosanME4252022724705-569637204
leucineLeucineME4252036106C00123345845158
lauric acidLauric acidME4252043893C02679547840117
lactuloseLactuloseME42520511333C07064929908204
lactoseLactoseME425206440995C00243935640191
lactitolLactitolME425207157355C13542959541361
lactic acidLactic acidME425208612C01432217657191
isothreonic acidD-Threonic acidME425209151152C00639489385292
isoleucineIsoleucineME4252106306C00407356963158
isocitric acidIsocitric acidME4252115318532C00451617338245
inositol-4-monophosphateInositol 4-phosphateME425212440043C03546845976315
inosineInosineME4252136021C00294897184230
indole-3-propionic acid3-Indolepropionic acidME4252143744-732249202
indole-3-lactateIndolelactic acidME42521592904C02043764586202
indole-3-acetateIndoleacetic acidME425216802C00954684929202
hypoxanthineHypoxanthineME425217790C00262619128265
hydroxylamineHydroxylamineME425218787C00192255241146
hydroxycarbamate NISTHydroxycarbamic acidME42521916639161-325318278
histidineHistidineME4252206274C00135663739154
hexuronic acidHexuronic acidME425221152867-667373160
hexose-6-phosphateHexose 6-phosphateME425222208C02965806282387
hexitolSorbitolME425223453C00392704741217
heptadecanoic acidMargaric acidME42522410465-751309117
guanosineGuanosineME4252256802C00387954962324
glycolic acidGlycolic acidME425226757C00160227636177
glycineGlycineME425227750C00037368707248
glycerol-alpha-phosphatesn-Glycero-3-phosphateME425228754C03189590747357
glycerol-3-galactosideGalactosylglycerolME42522916048618C05401800205204
glycerolGlycerolME425230753C00116344466205
glyceric acidGlyceric acidME425231439194C00258377495189
glutamineGlutamineME4252325961C00064600000156
glutamic acidGlutamic acidME42523333032C00025527086246
glucose-6-phosphateGlucose 6-phosphateME4252345958C00092818275387
glucose-1-phosphateGlucose 1-phosphateME42523565533C00103594647217
glucoseGlucoseME42523664689C00221659798319
gluconic acidGluconic acidME4252376857417C00800693148333
galactose-6-phosphateGalactose 6-phosphateME425238439404C01113828102387
galactoseGalactoseME425239439357C00984648756319
galactonic acidGalactonic acidME425240128869C00880690882292
fumaric acidFumaric acidME425241444972C00122392338245
fucoseFucoseME425242439650C02095578299160
fructose-6-phosphateFructose 6-phosphateME425243440641C05345804279315
fructose-1-phosphateFructose 1-phosphateME425244439394C01094803180387
fructoseFructoseME425245439709C02336639442307
ethanolamineEthanolamineME425246700C00189343800174
erythritolErythritolME425247222285C00503471922217
dehydroascorbic acidL-Dehydroascorbic acidME425248440667C05422632888173
cytidine-5-monophosphateCMPME4252496131C00055700635243
cysteineCysteineME4252505862C00097500158220
creatinineCreatinineME425251588C00791502599115
conduritol-beta-epoxideConduritol epoxideME4252529989541-675635318
citrullineCitrullineME4252539750C00327621404157
citric acidCitric acidME425254311C00158615341273
cholesterolCholesterolME4252555997C001871076014129
caprylic acidCaprylic acidME425256379C06423343457201
capric acidCapric acidME4252572969C01571451790229
beta-glycerolphosphatesn-Glycero-2-phosphateME4252582526C02979574470243
beta-alaninebeta-AlanineME425259239C00099435564248
benzylalcoholBenzyl alcoholME4252602879C01468280360165
benzoic acidBenzoic acidME425261243C00180339214179
aspartic acidAspartic acidME4252625960C00049480387232
asparagineAsparagineME4252636267C00152553078188
ascorbic acidVitamin CME42526454670067C00072672898332
arachidic acidArachidic acidME42526510467C06425856421117
aminomalonateAminomalonic acidME425266100714C00872455754218
alpha-aminoadipic acidalpha-Aminoadipic acidME42526792136C00956573295260
alloxanoic acidAlloxanoic acidME42526894146-584472331
alanineAlanineME4252695950C00041244189116
adenosineAdenosineME42527060961C00212918039236
adenineAdenineME425271190C00147646534264
4-hydroxybutyric acid4-Hydroxybutyric acidME42527210413C00989325027233
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME42527316069996C06474588886231
3-phosphoglycerate3-Phosphoglyceric acidME425274724C00597610734227
3-hydroxybutyric acid3-Hydroxybutyric acidME42527592135C01089278829191
3-aminoisobutyric acid3-Aminoisobutanoic acidME42527664956C05145452655248
2,4-diaminobutyric acid2,4-Diaminobutyric acidME425277134490C03283441621100
2-piperidinobenzonitrile NIST-ME4252782774355-578923185
2-ketoisocaproic acidKetoleucineME42527970C0023331076189
2-hydroxyglutaric acid2-Hydroxyglutaric acidME42528043C02630506306247
2-hydroxybutanoic acid2-Hydroxybutyric acidME425281440864C05984259536131
2-deoxytetronic acid NIST3,4-Dihydroxybutyric acidME425282192742-390517117
2-aminobutyric acid2-Aminobutyric acidME4252836657C02721285825130
1,3,5-trimethylcyanuric acid-ME425284--416269171
1-monoheptadecanoyl glyceride NIST-ME425285107036-930489385


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