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Analysis: Combined GC/LC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME799326----
1,2-propanediol1,2-PropanediolME799323----
13-HODE + 9-HODEHODEME799327----
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME799324----
1,6-anhydroglucoseGlucosanME799325----
1-arachidonoylglycerophosphocholine (20:4n6)*LPC 20:4ME799328----
1-arachidonoylglycerophosphoethanolamine*LPE 20:4ME799329----
1-arachidonoylglycerophosphoinositol*LPI 20:4ME799330----
1-docosahexaenoylglycerophosphoethanolamine*LPE 22:6ME799331----
1-linoleoylglycerophosphocholine (18:2n6)LPC 18:2ME799332----
1-linoleoylglycerophosphoethanolamine*LPE 18:2ME799333----
1-oleoylglycerophosphocholine (18:1)LPC 18:1ME799334----
1-oleoylglycerophosphoethanolamineLPE 18:1ME799335----
1-oleoylplasmenylethanolamine*LPE P-18:1 or LPE O-18:2ME799336----
1-palmitoylglycerophosphocholine (16:0)LPC 16:0ME799337----
1-palmitoylglycerophosphoethanolamineLPE 16:0ME799338----
1-palmitoylplasmenylethanolamine*LPE P-16:0 or LPE O-16:1ME799339----
1-stearoylglycerophosphocholine (18:0)LPC 18:0ME799340----
1-stearoylglycerophosphoethanolamineLPE 18:0/0:0ME799341----
1-stearoylglycerophosphoinositolLPI 18:0/0:0ME799342----
1-stearoylglycerophosphoserine*LPS 18:0ME799343----
1-stearoylplasmenylethanolamine*LPE P-18:0 or LPE O-18:1ME799344----
2,3-diphosphoglycerate2,3-Diphosphoglyceric acidME799345----
2-aminobutyrate2-Aminobutyric acidME799346----
2-aminooctanoate2-Aminocaprylic acidME799347----
2-arachidonoylglycerophosphocholine*LPC 20:4ME799348----
2-arachidonoylglycerophosphoethanolamine*LPE 20:4ME799349----
2-docosahexaenoylglycerophosphoethanolamine*LPE 22:6ME799350----
2-ethylhexanoate (isobar with 2-propylpentanoate)-ME799351----
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME799352----
2-hydroxybutyrate (AHB)2-Hydroxybutyric acidME799353----
2-hydroxyglutarate2-Hydroxyglutaric acidME799354----
2-hydroxyhippurate (salicylurate)Salicyluric acidME799355----
2-hydroxyibuprofen2-HydroxyibuprofenME799356----
2-linoleoylglycerophosphocholine*LPC 18:2ME799357----
2-linoleoylglycerophosphoethanolamine*LPE 18:2ME799358----
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME799359----
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME799360----
2-oleoylglycerophosphocholine*LPC 18:1ME799361----
2-oleoylglycerophosphoethanolamine*LPE 18:1ME799362----
2-palmitoylglycerophosphocholine*LPC 0:0/16:0ME799363----
2-palmitoylglycerophosphoethanolamine*LPE 16:0ME799364----
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME799365----
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME799366----
3-dehydrocarnitine*3-DehydrocarnitineME799367----
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME799368----
3-indoxyl sulfateIndoxyl sulfateME799369----
3-methyl-2-oxobutyrateKetoisovaleric acidME799370----
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME799371----
3-methylhistidine3-MethylhistidineME799372----
3-phosphoglycerate3-Phosphoglyceric acidME799373----
4-acetamidophenolAcetaminophenME799374----
4-acetaminophen sulfateParacetamol sulfateME799375----
4-androsten-3beta,17beta-diol disulfate 1*4-Androsten-3beta,17beta-diol disulfateME799376----
4-ethylphenylsulfate4-EthylphenolME799377----
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME799378----
4-methyl-2-oxopentanoateKetoleucineME799379----
4-vinylphenol sulfate4-HydroxystyreneME799380----
5-oxoprolinePyroglutamic acidME799381----
6-phosphogluconate6-Phosphogluconic acidME799382----
7-alpha-hydroxycholesterol7alpha-Hydroxy-cholesterolME799383----
7-beta-hydroxycholesterol7beta-HydroxycholesterolME799384----
7-ketocholesterol7-Oxo-cholesterolME799385----
acetylcarnitineCAR 2:0ME799386----
adenosineAdenosineME799387----
adenosine 5'-diphosphate (ADP)ADPME799388----
adenosine 5'-monophosphate (AMP)AMPME799389----
adrenate (22:4n6)Adrenic acidME799390----
alanineAlanineME799391----
alanylglutamateAla-GluME799392----
alanylhistidineAla-HisME799393----
alanylisoleucineAla-IleME799394----
alanylleucineAla-LeuME799395----
alanylphenylalanineAla-PheME799396----
alanyltryptophanAla-TrpME799397----
alanylvalineAla-ValME799398----
allantoinAllantoinME799399----
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME799400----
alpha-ketoglutarate2-Oxoglutaric acidME799401----
alpha-tocopherolalpha-TocopherolME799402----
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME799403----
arabinoseArabinoseME799404----
arabitolArabitolME799405----
arabonateArabinonic acidME799406----
arachidonate (20:4n6)Arachidonic acidME799407----
arginineArginineME799408----
arginylphenylalanineArg-PheME799409----
asparagineAsparagineME799410----
asparagylleucineAsn-LeuME799411----
asparagylvalineAsn-ValME799412----
aspartateAspartic acidME799413----
beta-alaninebeta-AlanineME799414----
betaineBetaineME799415----
beta-sitosterolSitosterolME799416----
biliverdinBiliverdinME799417----
caffeineCaffeineME799418----
caprate (10:0)Capric acidME799419----
caproate (6:0)Caproic acidME799420----
caprylate (8:0)Caprylic acidME799421----
carboxyibuprofenCarboxyibuprofenME799422----
carnitineCarnitineME799423----
catechol sulfateCatechol sulfateME799424----
C-glycosyltryptophan*C-GlycosyltryptophanME799425----
chiro-inositol1D-chiro-InositolME799426----
cholateCholic acidME799427----
cholestanolDihydrocholesterolME799428----
cholesterolCholesterolME799429----
cholineCholineME799430----
choline phosphateCholine phosphateME799431----
cis-vaccenate (18:1n7)cis-Vaccenic acidME799432----
citrateCitric acidME799433----
citrullineCitrullineME799434----
creatineCreatineME799435----
creatinineCreatinineME799436----
cyclo(leu-ala)Cyclo(Ala-Leu)ME799437----
cysteinylglycineCys-GlyME799438----
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME799439----
deoxycarnitine3-DehydroxycarnitineME799440----
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME799441----
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME799442----
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME799443----
dimethylarginine (SDMA + ADMA)DimethylarginineME799445----
dimethyl sulfoxide (DMSO)*-ME799444----
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME799446----
docosapentaenoate (n3 DPA; 22:5n3)DPAME799447----
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME799448----
dodecanedioateDodecanedioic acidME799449----
doxycyclineDoxycyclineME799450----
EDTAEdetic acidME799451----
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME799452----
eicosenoate (20:1n9 or 11)cis-Gondoic acidME799453----
epiandrosterone sulfateEpiandrosteroneME799454----
ergothioneineErgothioneineME799455----
erythritolErythritolME799456----
erythronate*Erythronic acidME799457----
ethanolamineEthanolamineME799458----
flavin adenine dinucleotide (FAD)FADME799459----
fructoseFructoseME799460----
fumarateFumaric acidME799461----
gamma-glutamylglutamategamma-Glutamylglutamic acidME799462----
gamma-glutamylleucinegamma-GlutamylleucineME799463----
gamma-glutamylthreonine*gamma-GlutamylthreonineME799464----
gamma-glutamylvalinegamma-GlutamylvalineME799465----
gluconateGluconic acidME799466----
glucoseGlucoseME799467----
glucose-6-phosphate (G6P)Glucose 6-phosphateME799468----
glutamateGlutamic acidME799469----
glutamineGlutamineME799470----
glutathione, oxidized (GSSG)Oxidized glutathioneME799471----
glutathione, reduced (GSH)GlutathioneME799472----
glycerateGlyceric acidME799473----
glycerol 2-phosphatesn-Glycero-2-phosphateME799474----
glycerol 3-phosphate (G3P)sn-Glycero-3-phosphateME799475----
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME799476----
glycineGlycineME799477----
glycochenodeoxycholateGlycochenodeoxycholic acidME799478----
glycodeoxycholateGlycodeoxycholic acidME799479----
glycoursodeoxycholateGlycoursodeoxycholic acidME799480----
glycylglutamateGly-GluME799481----
glycylleucineGly-LeuME799482----
guanineGuanineME799483----
guanosine 5'-diphospho-fucose-ME799485----
guanosine 5'- monophosphate (5'-GMP)GMPME799484----
gulono-1,4-lactoneD-GulonolactoneME799486----
hemeHemeME799487----
hippurateHippuric acidME799488----
histidineHistidineME799489----
histidylisoleucineHis-IleME799490----
histidylphenylalanineHis-PheME799491----
hydroxybutyrylcarnitine*CAR 4:0;OHME799492----
hypotaurineHypotaurineME799493----
hypoxanthineHypoxanthineME799494----
ibuprofenIbuprofenME799495----
iminodiacetate (IDA)IminodiacetateME799496----
indoleacrylateIndoleacrylic acidME799497----
inosineInosineME799498----
inosine 5'-monophosphate (IMP)IMPME799499----
Isobar: fructose 1,6-diphosphate, glucose 1,6-diph...-ME799500----
Isobar: leucylisoleucine, isoleucylleucine-ME799501----
Isobar: pentulose 5-phosphatesRibulose 5-phosphateME799502----
isobutyrylcarnitineCAR 3:0;2MeME799503----
isoleucineIsoleucineME799504----
isoleucylaspartateIle-AspME799505----
isoleucylglutamateIle-GluME799506----
isoleucylglycineIle-GlyME799507----
isoleucylhistidineIle-HisME799508----
isoleucylserineIle-SerME799509----
isovalerylcarnitineCAR 4:0;3MeME799510----
kynurenineKynurenineME799511----
lactateLactic acidME799512----
lathosterolLathosterolME799513----
leucineLeucineME799514----
leucylalanineLeu-AlaME799515----
leucylaspartateLeu-AspME799516----
leucylglutamateLeu-GluME799517----
leucylglycineLeu-GlyME799518----
leucylhistidineLeu-HisME799519----
leucylleucineLeu-LeuME799520----
leucylphenylalanineLeu-PheME799521----
leucylserineLeu-SerME799522----
leucylthreonineLeu-ThrME799523----
leucyltryptophanLeu-TrpME799524----
linoleate (18:2n6)Linoleic acidME799525----
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME799526----
lysineLysineME799527----
lysylphenylalanineLys-PheME799528----
lysylvalineLys-ValME799529----
malateD-Malic acidME799530----
maltoseMaltoseME799531----
maltotetraoseMaltotetraoseME799532----
maltotrioseMaltotrioseME799533----
mannitolMannitolME799534----
mannoseMannoseME799535----
mannose-6-phosphateMannose 6-phosphateME799536----
margarate (17:0)Margaric acidME799537----
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME799538----
methionineMethionineME799539----
methylphosphateMethanolphosphateME799540----
myo-inositolMyo-inositolME799541----
myristoleate (14:1n5)Myristoleic acidME799542----
N6-acetyllysineN6-AcetyllysineME799543----
N-acetylalanineN-AcetylalanineME799544----
N-acetylglycineN-AcetylglycineME799545----
N-acetylmannosamineN-Acetyl-mannosamineME799546----
N-acetylmethionineN-AcetylmethionineME799547----
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME799548----
N-acetylneuraminateN-Acetylneuraminic acidME799549----
N-acetylphenylalanineN-AcetylphenylalanineME799550----
naproxenNaproxenME799551----
N-delta-acetylornithine*N(5)-Acetyl-ornithineME799552----
nicotinamideNiacinamideME799553----
N-methyl prolineN-Methyl-prolineME799554----
nonadecanoate (19:0)Nonadecenoic acidME799555----
N-palmitoyl-D-erythro-sphingosineCer 18:1;O2/16:0ME799556----
oleate (18:1n9)Oleic acidME799557----
oleoylcarnitineCAR 18:1ME799558----
ophthalmateOphthalmic acidME799559----
ornithineOrnithineME799560----
orotateOrotic acidME799561----
p-acetamidophenylglucuronidep-AcetamidophenylglucuronideME799562----
palmitate (16:0)Palmitic acidME799563----
palmitoleate (16:1n7)Palmitoleic acidME799564----
palmitoylcarnitineCAR 16:0ME799566----
palmitoyl sphingomyelinSM 18:1;O2/16:0ME799565----
pantothenatePantothenic acidME799567----
paraxanthineParaxanthineME799568----
p-cresol sulfatep-Cresol sulfateME799569----
pelargonate (9:0)Pelargonic acidME799570----
pentadecanoate (15:0)Pentadecylic acidME799571----
phenol redPhenolsulfonphthaleinME799572----
phenol sulfatePhenyl hydrogen sulfateME799573----
phenylacetylglutaminealpha-N-PhenylacetylglutamineME799574----
phenylalaninePhenylalanineME799575----
phenylalanylaspartatePhe-AspME799576----
phenylalanylglutamatePhe-GluME799577----
phenylalanylleucinePhe-LeuME799578----
phosphatePhosphoric acidME799579----
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME799580----
pipecolatePipecolic acidME799581----
pregnen-diol disulfate*-ME799583----
pregn steroid monosulfate*Pregnenolone sulfateME799582----
prolineProlineME799584----
prolylglutamatePro-GluME799585----
prolylthreoninePro-ThrME799586----
propionylcarnitineCAR 3:0ME799587----
pseudouridinePseudouridineME799588----
pyroglutamine*PyroglutamineME799589----
pyrophosphate (PPi)PyrophosphateME799590----
pyruvatePyruvic acidME799591----
quinateQuinic acidME799592----
ribose 5-phosphateRibose 5-phosphateME799593----
ribuloseL-RibuloseME799594----
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME799595----
salicylateSalicylic acidME799596----
sarcosine (N-Methylglycine)SarcosineME799597----
scyllo-inositolMyo-inositolME799598----
serineSerineME799599----
serylleucineSer-LeuME799600----
serylphenyalanineSer-PheME799601----
serylvalineSer-ValME799602----
S-lactoylglutathioneS-LactoylglutathioneME799603----
S-methylcysteineMethylcysteineME799604----
S-methylglutathioneS-MethylglutathioneME799605----
sorbitolSorbitolME799606----
spermidineSpermidineME799607----
spermineSpermineME799608----
sphingosineSphingosineME799609----
stachydrineStachydrineME799610----
stearamideStearamideME799611----
stearate (18:0)Stearic acidME799612----
stearoyl sphingomyelinSM 18:1;O2/18:0ME799613----
succinylcarnitineCAR DC4:0ME799614----
taurineTaurineME799615----
tetradecanedioateTetradecanedioic acidME799616----
theobromineTheobromineME799617----
threitolThreitolME799618----
threonateThreonic acidME799619----
threonineThreonineME799620----
threonylleucineThr-LeuME799621----
threonylphenylalanineThr-PheME799622----
threonylvalineThr-ValME799623----
thymol sulfateThymol sulfateME799624----
trans-4-hydroxyprolinetrans-4-HydroxyprolineME799625----
triethanolamineTriethanolamineME799626----
tryptophanTryptophanME799627----
tryptophan betaineLenticinME799628----
tyrosineTyrosineME799629----
tyrosylarginineTyr-ArgME799630----
tyrosylglutamateTyr-GluME799631----
tyrosylhistidineTyr-HisME799632----
urateUric acidME799633----
ureaUreaME799634----
uridineUridineME799635----
valineValineME799636----
valylalanineVal-AlaME799637----
valylasparagineVal-AsnME799638----
valylaspartateVal-AspME799639----
valylglutamateVal-GluME799640----
valylglycineVal-GlyME799641----
valylhistidineVal-HisME799642----
valylleucineVal-LeuME799643----
valylmethionineVal-MetME799644----
valylphenylalanineVal-PheME799645----
valylserineVal-SerME799646----
valylthreonineVal-ThrME799647----
valylvalineVal-ValME799648----
VGAHAGEYGAEALER*-ME799649----
xanthineXanthineME799650----
xylonateXylonic acidME799651----
xyloseXyloseME799652----


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