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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
1,5-anhydroglucitol1,5-AnhydrosorbitolME13368364960C07326634023191
1-monopalmitinMG 16:0/0:0/0:0ME13368514900-901207371
1-monostearinMG 18:0/0:0/0:0ME13368424699D01947956148399
2,3,5-trihydroxypyrazine NIST-ME133670--531135344
238267 trisaccharide-ME133688--1122259361
2,3-dihydroxybutanoic acid NIST-ME13367113120900-384445292
2-aminoadipic acidAminoadipic acidME133682469C00956573532260
2-deoxyerythritol2-DeoxyerythritolME13368118302-354236117
2-deoxytetronic acid3,4-Dihydroxybutyric acidME133679--433467233
2-hydroxybutanoic acid2-Hydroxybutyric acidME13367794318C05984257844131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME13367643C02630506359129
2-hydroxyhippuric acidSalicyluric acidME13367510263C07588725431324
2-hydroxyvaleric acid2-Hydroxyvaleric acidME13367498009-310750131
2-ketoisocaproic acidKetoleucineME13367370C0023329040489
2-oxogluconic acid NIST-ME1336723035456C00629542152201
3-aminoisobutyric acid3-Amino-isobutanoic acidME133669--453103174
3-hydroxybutanoic acid3-Hydroxybutyric acidME13366892135C01089278651191
3-phosphoglycerate3-Phosphoglyceric acidME133667724C00197611619299
400671 carbohydrate-ME133687--599923204
4-hydroxyphenylacetic acidp-Hydroxyphenylacetic acidME133666127C00642541685296
4-hydroxyprolinecis-4-HydroxyprolineME133665--487405230
5-aminovaleric acid lactame-ME13366412665-275813170
5-hydroxynorvaline NIST-ME13366395562-494838142
5-methoxytryptamine5-MethoxytryptamineME1336621833C05659863982174
6-deoxyglucitol NIST-ME133661151266-595333117
715929 carbohydrate-ME133686--947018204
acetophenone NIST-ME1336607410C07113238719105
aconitic acidcis-Aconitic acidME133659--589666229
adenosine-5-phosphateAMPME1336586083C000201039143169
adipic acidAdipic acidME133657196C06104475399111
alanineAlanineME1336565950C00041236539116
allantoic acidAllantoic acidME133655203C00499646921428
alpha ketoglutaric acidOxoglutaric acidME13365451C00026507734198
aminomalonic acidAminomalonic acidME133653100714C00872455266218
arabinoseArabinoseME133652229C00259546892217
arabitolArabitolME13365194154C01904572600307
arachidic acidArachidic acidME13365010467C06425855930117
arachidonic acidArachidonic acidME1336495312542-83575191
asparagineAsparagineME133648236C00152553698116
aspartic acidAspartic acidME1336475960C00049478092232
azelaic acidAzelaic acidME1336462266C08261610175317
behenic acidBehenic acidME1336458215C08281919675132
benzoic acidBenzoic acidME133644243C00180338714179
benzylalcoholBenzyl alcoholME133643244C00556281338165
beta-alaninebeta-AlanineME133642239C00099435375248
beta-sitosterolSitosterolME133641222284C017531126938129
butane-2,3-diol (NIST)2,3-ButanediolME133640262C03044204284117
capric acidCapric acidME1336392969C01571451122117
caprylic acidCaprylic acidME133638379C06423343899201
cellobiotolCellobiotolME133637160514-956355204
cholesterolCholesterolME1336365997C001871075918129
citric acidCitric acidME133635311C00158617288273
citrullineCitrullineME1336349750C00327620728157
conduritol beta expoxideConduritol epoxideME133633--704785318
creatinineCreatinineME133632--504442115
cyano-L-alanine-ME13363113538C02512404014141
cysteineCysteineME133630--497030220
cysteine-glycineCys-GlyME133629439498C01419715639220
cystineCystineME13362867678C00491804143218
cytidine-5'-diphosphateCDPME133627290C00112861380217
deoxytetronic acid NIST-ME133678150929-390395117
deoxythreittol NIST-ME13368018302-422939103
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME13362691C11457583527205
dodecanolDodecanolME1336258193C02277508488243
erythritolErythritolME133624222285C00503471274205
ethanolamineEthanolamineME133623700C00189340837174
fructoseFructoseME1336225984C00095642325307
fucoseFucoseME13362194270C01019584612117
fucose + rhamnose-ME13362094270C01018577861117
fumaric acidFumaric acidME133619444972C00122390988245
galactonic acidGalactonic acidME133618128869C00880692399292
galactose-6-phosphateGalactose 6-phosphateME13361799058C00446828457387
gamma-glutamyl-valinegamma-GlutamylvalineME133616--761021345
gamma-tocopherolgamma-TocopherolME13361592729C024831026222223
gluconic acidGluconic acidME13361410690C00257693140333
glucoseGlucoseME133613107526C00031650726160
glucuronic acidGlucuronic acidME13361294715C00191666401333
glutamic acidGlutamic acidME13361133032C00025528717246
glutamineGlutamineME1336105961C00064600452156
glutaric acidGlutaric acidME133609743C00489422031158
glyceric acidGlyceric acidME133608--379389189
glycerolGlycerolME133607--346318205
glycerol-3-galactosideGalactosylglycerolME133606656504C05401803554204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME133605754C00093591357299
glycineGlycineME133604750C00037368041174
glycolic acidGlycolic acidME133603757C00160227487177
glyoxalurea NIST-ME1336024157426-480421202
guanosineGuanosineME1336016802C00387955097324
heptadecanoic acid NIST-ME13360010465-738392117
hippuric acidHippuric acidME133599--637165174
histidineHistidineME1335986274C00135663393154
hydroxylamineHydroxylamineME133597787C00192250798146
hypoxanthineHypoxanthineME133596790C00262618133265
indole-3-acetateIndoleacetic acidME133595802C00954685195202
indole-3-lactateIndolelactic acidME13359492904C02043764543202
inosineInosineME1335936021C00294897806230
inosine 5'-monophosphateIMPME133592--1016825315
inositol myo-Myo-inositolME133591--733355305
inulobioseInulobioseME133590439552C01711930708204
isocitric acidIsocitric acidME133589--617706245
isoleucineIsoleucineME1335886306C00407359776158
isolinoleic acid NIST-ME1335873931-79462995
isothreonic acidD-Threonic acidME133586151152-489846292
kynurenineKynurenineME133585161166C00328769271218
lactamideLactamideME133584--265523232
lactic acidLactic acidME133583612C00186215380191
lathosterol NIST-ME13358265728C011891095135255
lauric acidLauric acidME1335813893C02679548310117
leucineLeucineME133580--345709158
levanbioseLevanbioseME133579439555C01725938676217
levoglucosanGlucosanME1335782724705-569799204
lignoceric acidLignoceric acidME13357711197C08320977850117
linoleic acidLinoleic acidME1335765280450C01595777102337
linolenic acidalpha-Linolenic acidME1335755280934C06427779785108
lysineLysineME1335745962C00047662967156
lyxoseLyxoseME13357365550-540208217
maleimideMaleimideME13357210935C07272244928154
malic acidMalic acidME133571222656C00149461034233
malonic acidMalonic acidME133570867C04025305831147
maltoseMaltoseME1335696255C01971946060361
maltotrioseMaltotrioseME13356892146C018351177212204
mannitolMannitolME133567--665530103
methanolphosphateMethanolphosphateME13356613130-290941241
methionineMethionineME1335656137C00073483425176
methionine sulfoxideMethionine sulfoxideME133564158980C02989637775128
methylhexadecanoic acid-ME13356310465-750645117
myristic acidMyristic acidME13356211005C06424634543285
N-acetylglutamateN-Acetylglutamic acidME13356170914C00624477593158
N-acetylglycine NIST-ME13356010972-356109174
N-acetylmannosamineN-Acetyl-mannosamineME133559--735289205
naproxenNaproxenME1335571302C01517736205185
nicotinic acidNicotinic acidME133556--353863180
N-methylalanineN-MethylalanineME1335585288725C02721286258130
octadecanolStearyl alcoholME1335558221D01924755073327
oleic acidOleic acidME1335545282749C01712780799339
ornithineOrnithineME1335536262C00077618525142
oxalic acidOxalic acidME133552971C00209259625147
oxoprolinePyroglutamic acidME1335517405C01879489576156
palmitic acidPalmitic acidME133549985C00249713542313
palmitoleic acidPalmitoleic acidME133548445638C08362704757129
parabanic acid NIST-ME13354767126C00802464937100
paracetamolAcetaminophenME1335461983C06804538566206
p-cresolP-CresolME133550--280634165
pelargonic acidPelargonic acidME1335458158C01601399163117
phenylalaninePhenylalanineME1335446140C00079537502218
phenylethylaminePhenylethylamineME1335431001C05332512521174
phosphoethanolaminePhosphoethanolamineME1335421015C00346604454100
pipecolic acidPipecolic acidME133541--404019156
prolineProlineME133540145742C00148364232142
pseudo uridinePseudouridineME13353915047C02067813744217
pyrophosphatePyrophosphateME1335381023C0013327474110
pyruvic acidPyruvic acidME133537--208709174
quinic acidQuinic acidME1335366508C00296634218255
ribitolRibitolME133535827C00474575571217
saccharic acidGlucaric acidME13353433037C00818699250333
salicylaldehyde2-HydroxybenzaldehydeME1335336998C06202406706193
salicylic acidSalicylic acidME133532338C00805480445267
serineSerineME1335315951C00065391397204
shikimic acidShikimic acidME133530--609587204
sorbitolSorbitolME1335295780C00794669361319
stearic acidStearic acidME1335285281C01530787358117
stigmasterolStigmasterolME1335275280794C054421110434159
succinic acidSuccinic acidME133526--370724247
sucroseSucroseME1335255988C00089916949271
tagatoseFructoseME133524--632392307
taurineTaurineME1335231123C00245556913326
threitolThreitolME133522169019-467314217
threonic acidD-Threonic acidME133521439535C01620497167292
threonineThreonineME1335206288C00188410027117
tocopherol alphaRetinalME13351914985C024771067178237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME1335185810C01157460567158
trihydroxypyrazine NIST-ME13351720221599-505411344
tryptophanTryptophanME1335166305C00078781209202
tyrosineTyrosineME1335156057C00082670802218
ureaUreaME133514--337230171
uric acidUric acidME1335131175C00366730534441
uridineUridineME1335126029C00299856953258
valineValineME1335116287C00183309905144
xanthineXanthineME1335101188C00385702391353
xylitolXylitolME1335096912C00379566893217
xyloseXyloseME133508--543056217


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