Return to study ST003128 main page

Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S...-ME815723----
1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanedi...-ME815864----
1,11-Undecanedicarboxylic acid;Menthyl ethylene gl...-ME815982----
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-la...-ME815577----
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-la...-ME815618----
1,3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indox...-ME815909----
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid-ME815915----
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose-ME815587----
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose...-ME815611----
1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3...-ME815843----
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,...-ME815838----
1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidine...-ME816003----
1H-Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME815887----
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedi...-ME815575----
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedi...-ME815614----
1-Isothiocyanato-7-(methylsulfinyl)heptane-ME815749----
1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-...-ME815901----
1-Methyladenosine1-MethyladenosineME815417----
1-Methylhistamine;3-Methylhistamine;N(tele)-methyl...-ME815830----
1-Methylhistidine1-MethylhistidineME815586----
1-Methylhistidine.21-MethylhistidineME815606----
1-Methylnicotinamide1-Methyl nicotinamideME815418----
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnit...-ME815763----
1-Octen-3-yl glucoside-ME815765----
1-Phosphatidyl-D-myo-inositol-ME815913----
(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy...-ME816026----
1-(sn-Glycero-3-phospho)-1D-myo-inositolsn-Glycero-3-phosphoinositolME815657----
1-(sn-Glycero-3-phospho)-1D-myo-inositol.2sn-Glycero-3-phosphoinositolME815659----
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-...-ME815798----
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate-ME815878----
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethox...-ME815850----
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-p...-ME816014----
2,4,6-Triethyl-1,3,5-trioxane;(±)-3-Hydroxynona...-ME815746----
2,4-Diamino-6-nitrotoluene;(S)-Spinacine-ME815735----
2,4-Dodecadienoic acid pyrrolidide2,4-Dodecadienoic acid pyrrolidideME815844----
2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide...-ME815861----
2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-D...-ME815992----
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic ac...-ME815729----
2-Diethylaminoethanol-ME815791----
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]...-ME815868----
2-Furancarboxaldehyde;Protoanemonin-ME816023----
2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;...-ME815821----
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-o...-ME815737----
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxi...-ME815921----
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-ox...-ME815908----
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic ...-ME815781----
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic ...-ME815697----
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic ...-ME815722----
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME815419----
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate-ME815713----
2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-...-ME815877----
2-hydroxymexiletine;p-hydroxymexiletine-ME815581----
2-hydroxymexiletine;p-hydroxymexiletine.2-ME815591----
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde-ME815783----
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME815420----
2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4...-ME815943----
2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylt...-ME815922----
(2-oxoethoxy)sulfonic acid-ME815891----
2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methyl...-ME815907----
(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphyllin...-ME815851----
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-...-ME815708----
(2S,4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyp...-ME815970----
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Di...-ME815625----
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Di...-ME815653----
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Di...-ME815647----
{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesul...-ME816021----
3-[(3-Methylbutyl)nitrosoamino]-2-butanone-ME815945----
3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulf...-ME815852----
3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3...-ME816035----
3,4-Methylenesebacic acid;Allixin-ME815867----
3-Amino-2-piperidone;N-Mononitrosopiperazine-ME815968----
3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide-ME815957----
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,...-ME815926----
3-Hydroxydodecanedioic acid;Dibutyl malate-ME815574----
3-Hydroxydodecanedioic acid;Dibutyl malate.2-ME815588----
3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic ac...-ME815977----
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME815421----
3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydr...-ME815799----
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-...-ME815628----
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-...-ME815675----
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-...-ME815633----
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohex...-ME815627----
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohex...-ME815636----
3-Hydroxytetradecanedioic acid3-Hydroxy-tetradecanedioic acidME815684----
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;...-ME815736----
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;...-ME815742----
3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl ac...-ME815999----
3-Methyladipic acid;Pimelic acid;2-Methyladipic ac...-ME815758----
3-Methylglutaconic acid;trans-2-Hexenedioic acid;D...-ME815692----
3-Methylglutaconic acid;trans-2-Hexenedioic acid;E...-ME815804----
3-Methylglutaconic acid;trans-2-Hexenedioic acid;M...-ME815972----
3-Methylglutarylcarnitine;O-Adipoylcarnitine-ME815718----
3-Methylhistidine3-MethylhistidineME815422----
3-Methyl sulfolene-ME815706----
3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylqui...-ME815680----
3-Oxoglutaric acid-ME815629----
3-Oxoglutaric acid.2-ME815641----
3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Ment...-ME815817----
3-Phosphoglyceric acid3-Phosphoglyceric acidME815423----
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one...-ME815984----
3-Sulfinato-L-alaninate;3-Sulfinoalanine-ME815834----
{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-d...-ME816000----
{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl...-ME815952----
4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic a...-ME815895----
(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic aci...-ME815797----
4-ethylphenylsulfate;3-ethylphenyl Sulfate-ME815779----
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME815754----
4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1...-ME815973----
4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-No...-ME815842----
4-Hydroxyprolinecis-4-HydroxyprolineME815424----
4-Pyridoxic acid4-Pyridoxic acidME815425----
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME815426----
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-...-ME815739----
5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosp...-ME815774----
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitr...-ME816015----
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(...-ME815579----
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(...-ME815582----
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alp...-ME815832----
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-...-ME815892----
5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3...-ME815876----
5S,6S-epoxy-15R-hydroxy-ETE-ME815879----
5Z-Dodecenoic acid;1,1-Dimethoxy-3,7-dimethyl-2,6-...-ME815905----
6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4...-ME816025----
6,8-Dihydroxypurine;Oxypurinol-ME815991----
6-allyl-8b-Carboxy-ergoline-ME816006----
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diam...-ME815689----
6-Epi-7-isocucurbic acid glucoside-ME815858----
6-Hydroxy-1H-indole-3-acetamide-ME815918----
6-Hydroxypentadecanedioic acid-ME815890----
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vi...-ME815622----
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vi...-ME815651----
6-Phosphogluconic acid6-Phosphogluconic acidME815427----
6-Phosphonoglucono-D-lactone6-Phosphonoglucono-D-lactoneME815428----
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glu...-ME815871----
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;...-ME815724----
8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresi...-ME815980----
8-Ocimenyl acetate;Ethyl (2E,4Z,7Z)-Decatrienoate;...-ME815978----
9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydrox...-ME815853----
9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Ica...-ME815769----
9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,1...-ME815959----
9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Bu...-ME815766----
(±)-3-Hydroxynonanoic acid;2,4,6-Triethyl-1,3,5...-ME816052----
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydri...-ME815757----
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydri...-ME815715----
Acetyl citrate-ME815884----
Acetyl-CoAAcetyl-CoAME815429----
AcetylcysteineN-AcetylcysteineME815430----
Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3...-ME815919----
(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-d...-ME816005----
AdenineAdenineME815431----
AdenosineAdenosineME815432----
Adenosine monophosphateAMPME815433----
Adenosine triphosphateATPME815434----
Adipic acid;Methylglutaric acid;2-Methylglutaric a...-ME815771----
ADPADPME815435----
ADP-glucoseADP-glucoseME815436----
AICARAICARME815437----
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamy...-ME815634----
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamy...-ME815639----
Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylal...-ME815981----
Alanylglycine;Ureidoisobutyric acid;D-Glutamine-ME816045----
AllantoinAllantoinME815438----
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesul...-ME815621----
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesul...-ME815649----
alpha-Ketoisovaleric acid;Levulinic acid;2-Methyla...-ME815748----
Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic...-ME815894----
alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-...-ME816017----
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic ...-ME815623----
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic ...-ME815635----
Aminoadipic acidAminoadipic acidME815439----
Anserine;Homocarnosine;Balenine-ME815719----
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (...-ME815966----
Argininic acidArgininic acidME816016----
Argininosuccinic acidArgininosuccinic acidME815440----
Ascorbic acidVitamin CME815441----
Ascorbic acid-2-sulfate-ME815788----
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid-ME815971----
Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gam...-ME816022----
AspartylglycosamineAspartylglycosamineME815993----
Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-...-ME815888----
Asymmetric dimethylarginineDimethylarginineME815442----
Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1...-ME815983----
Azelaic acid;Nonate;3-Methylsuberic acid;cis- and ...-ME815678----
Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methyl...-ME815961----
Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzal...-ME815924----
Beta-Guanidinopropionic acid3-Guanidinopropanoic acidME815671----
Beta-Guanidinopropionic acid.23-Guanidinopropanoic acidME815672----
Beta-Guanidinopropionic acid.33-Guanidinopropanoic acidME815673----
Beta-Guanidinopropionic acid.43-Guanidinopropanoic acidME815674----
BetaineBetaineME815443----
Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethyl...-ME815934----
ButyrylcarnitineCAR 4:0ME815444----
Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4...-ME815940----
Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;M...-ME815785----
Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl...-ME815841----
CaproylcholineCaproylcholineME815725----
Caprylic acidCaprylic acidME815445----
CarnosineCarnosineME815446----
Casimiroin-ME815600----
Casimiroin.2-ME815601----
CDP-EthanolamineCDP-EthanolamineME815447----
Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxych...-ME815875----
ChloramphenicolChloramphenicolME815694----
ChloroformChloroformME815753----
CholineCholineME815448----
Cinitapride;Acetyl tributyl citrate-ME815772----
Cinnamyl benzoate;Benzyl cinnamate;4'-Methoxychalc...-ME815744----
cis-Acetylacrylate;Norfuraneol-ME815580----
cis-Acetylacrylate;Norfuraneol.2-ME815585----
cis-Aconitic acidcis-Aconitic acidME815449----
Citbismine C-ME815696----
CiticolineCDP-cholineME815450----
Citraconic acid;Glutaconic acid;Methyl hydrogen fu...-ME816050----
Citraconic acid;Glutaconic acid;Methyl hydrogen fu...-ME815721----
Citraconic acid;Glutaconic acid;Methyl hydrogen fu...-ME815589----
Citraconic acid;Glutaconic acid;Methyl hydrogen fu...-ME815607----
Citric acidCitric acidME815451----
CitrullineCitrullineME815452----
CreatineCreatineME815453----
CreatinineCreatinineME815454----
Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Met...-ME815955----
Cysteine-S-sulfateCysteine-S-sulfateME815881----
CytidineCytidineME815455----
Cytidine monophosphateCMPME815456----
CytosineCytosineME815457----
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose-ME815602----
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2-ME815631----
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3-ME815620----
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME815458----
D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric...-ME815865----
Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pen...-ME815949----
Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethyl...-ME815827----
DeoxyuridineDeoxyuridineME815467----
D-Fructosazine;Isomugineic acid-ME815975----
D-FructoseFructoseME815459----
D-GlucoseGlucoseME815460----
D-Glucuronic acidGlucuronic acidME815461----
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic...-ME816019----
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic...-ME815848----
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME815462----
D-glycero-L-galacto-Octulose-ME815576----
D-glycero-L-galacto-Octulose.2-ME815608----
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocr...-ME815930----
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocr...-ME815931----
Dicyclohexyl disulfideDicyclohexyl disulfideME815994----
DiethanolamineDiethanolamineME815686----
Diethylcarbamazine N-oxide-ME815906----
Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butyn...-ME816040----
Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(al...-ME815954----
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Py...-ME815845----
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine-ME815941----
Diisopentyl thiomalate-ME815870----
Dimethylphosphate;Ethylphosphate-ME816012----
Dioscorine;N,N,O-Tridesmethyltramadol-ME816043----
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Pr...-ME815691----
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde...-ME815685----
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde...-ME815687----
Docosahexaenoic acid;Grifolin;Retinol acetate;Neog...-ME815923----
Dodecanedioic acid;Bis(1-methylethyl) hexanedioate...-ME815806----
Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Is...-ME815792----
D-OrnithineD-OrnithineME815584----
D-Ornithine.2D-OrnithineME815613----
D-Proline;4-Amino-2-methylenebutanoic acid;Pterola...-ME815655----
D-Proline;4-Amino-2-methylenebutanoic acid;Pterola...-ME815662----
D-RiboseRiboseME815463----
D-Ribose 5-phosphateRibose 5-phosphateME815464----
D-Ribulose 5-phosphateRibulose 5-phosphateME815465----
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME815466----
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribu...-ME815801----
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribu...-ME815741----
(E)-Avenanthramide D;Avenanthramide 1p-ME815759----
Edetic AcidEdetic acidME815690----
Ethyl glucuronide;6-ethoxy-3,4,5-trihydroxyoxane-2...-ME815900----
FADFADME815468----
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)...-ME815956----
Formiminoglutamic acidFormiminoglutamic acidME815699----
Fructosamine;beta-D-Glucosamine-ME816039----
Fructose 6-phosphateFructose 6-phosphateME815469----
Fumaric acidFumaric acidME815470----
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone-ME815963----
Galactonic acidGalactonic acidME815471----
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;...-ME816001----
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;...-ME815760----
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-...-ME816034----
gamma-Glutamylleucine;gamma-Glutamylisoleucine;Iso...-ME815717----
Garcinia acidGarcinia acidME815711----
Glucaric acid;Galactaric acid;D-Glucaric acid-ME815786----
Gluconic acidGluconic acidME815472----
GlucosamineGlucosamineME815473----
Glucosamine 6-phosphateGlucosamine 6-phosphateME815474----
Glucose 6-phosphateGlucose 6-phosphateME815475----
Glucosereductone;Malonic semialdehyde;2-hydroxyacr...-ME815802----
Glutaminylthreonine;Threoninyl-Glutamine;Threoniny...-ME816030----
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;...-ME815810----
Glutaric acid;Methylsuccinic acid;Ethylmalonic aci...-ME815796----
Glutaric acid;Methylsuccinic acid;Ethylmalonic aci...-ME815720----
Glutaric acid;Methylsuccinic acid;Ethylmalonic aci...-ME815824----
GlutarylcarnitineCAR DC5:0ME815732----
GlutathioneGlutathioneME815476----
Glyceric acid;D-2,3-Dihydroxypropanoic acid-ME815912----
Glycerol 1-(5-hydroxydodecanoate)Glycerol-1-(5-hydroxydodecanoate)ME815776----
Glycerol 3-phosphatesn-Glycero-3-phosphateME815477----
Glycerophosphocholinesn-Glycero-3-phosphocholineME815478----
Glycerylphosphorylethanolamine;sn-glycero-3-Phosph...-ME815762----
GlycineGlycineME815479----
GlycodiazineGlycodiazineME815782----
Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3...-ME815825----
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsar...-ME815854----
Glycyl-Lysine;Lysyl-Glycine-ME815986----
Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohex...-ME815859----
Guanidinosuccinic acidGuanidinosuccinic acidME815773----
Guanidoacetic acidGuanidoacetic acidME815480----
GuanineGuanineME815481----
GuanosineGuanosineME815482----
Guanosine monophosphateGMPME815483----
Heptanoic acid;Propyl butyrate;Ethyl isovalerate;E...-ME815874----
Heptanoylcholine-ME815989----
HexanoylcarnitineCAR 6:0ME815484----
Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine...-ME815925----
Hexylamine;Triethylamine-ME815835----
Hippuric acidHippuric acidME815485----
Hirsutin-ME815670----
Hirsutin.2-ME815676----
Histamine;Betazole;Histamium-ME815790----
Histidinyl-Asparagine;Asparaginyl-Histidine-ME815829----
HomoarecolineHomoarecolineME815847----
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dih...-ME815837----
Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4...-ME815882----
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnit...-ME815745----
Hydroxylated lecithinHydroxylated lecithinME815904----
Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;...-ME815789----
HypotaurineHypotaurineME815486----
HypoxanthineHypoxanthineME815487----
I(-)IsoleucineME815738----
Imidazoleacetic acidImidazoleacetic acidME815488----
Imidazolelactic acid;4-Imidazolone-5-propionic aci...-ME815951----
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene-ME816051----
IndolepyruvateIndolepyruvateME815948----
Indoxyl sulfateIndoxyl sulfateME815489----
InosineInosineME815490----
Inosinic acidIMPME815491----
Isocitric acid;Diketogulonic acid;(1R,2R)-Isocitri...-ME815896----
Isocitric acid;Diketogulonic acid;2,3-diketogulona...-ME815727----
Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Le...-ME816033----
Isosorbide Mononitrate;gamma-Carboxyglutamic acid-ME816008----
IsovalerylcarnitineCAR 4:0;3MeME815492----
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydro...-ME815916----
Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-...-ME815698----
Kuwanon Z-ME815800----
Kynurenic acidKynurenic acidME815493----
L-2-Amino-3-(1-pyrazolyl)propanoic acid-ME815683----
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2-ME815688----
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecar...-ME815889----
L-AcetylcarnitineCAR 2:0ME815494----
Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inosit...-ME815939----
L-AlanineAlanineME815495----
L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoeth...-ME815899----
L-ArginineArginineME815496----
L-AsparagineAsparagineME815497----
L-Aspartic acidAspartic acidME815498----
L-CarnitineCarnitineME815499----
L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Ami...-ME815914----
L-CystathionineCystathionineME815500----
L-CystineCystineME815501----
L-Dihydroorotic acid4,5-Dihydroorotic acidME815502----
Leucylproline;Isoleucylproline-ME815610----
Leucylproline;Isoleucylproline.2-ME815612----
Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleuc...-ME815770----
L-Glutamic acidGlutamic acidME815503----
L-GlutamineGlutamineME815504----
L-Glyceric acidGlyceric acidME815505----
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxyli...-ME816041----
L-HistidineHistidineME815506----
L-Homocysteic acidHomocysteic acidME815644----
L-Homocysteic acid.2Homocysteic acidME815646----
L-HomoserineHomoserineME815507----
Linoleic acid;Dihomolinoleic acid;9E,11E-Octadecad...-ME815733----
L-IsoleucineIsoleucineME815508----
L-KynurenineKynurenineME815509----
L-Lactic acidLactic acidME815510----
L-LeucineLeucineME815511----
L-LysineLysineME815512----
L-Menthyl acetoacetate-ME815917----
L-MethionineMethionineME815513----
L-PhenylalaninePhenylalanineME815514----
L-Pipecolic acidPipecolic acidME815515----
L-ProlineProlineME815516----
L-SerineSerineME815517----
L-ThreonineThreonineME815518----
L-TryptophanTryptophanME815519----
L-TyrosineTyrosineME815520----
L-ValineValineME815521----
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate...-ME815594----
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate...-ME815596----
LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Pa...-ME815803----
LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phos...-ME815752----
LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z...-ME815836----
Lysyl-Valine;Valyl-Lysine-ME815833----
Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-met...-ME815709----
Malic acidMalic acidME815522----
Malondialdehyde;Pyruvaldehyde;Acrylic acid-ME815590----
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2-ME815605----
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin-ME815996----
Malonyl-Carnitin;(S)-carnitinium-ME816044----
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxyben...-ME815937----
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxyben...-ME815818----
Marcanine A-ME816037----
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruv...-ME816007----
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruv...-ME815712----
Methoxamine;Orciprenaline;Isoproterenol-ME815846----
Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(M...-ME815840----
Methyl 1-(2-propenylsulfinyl)propyl disulfide;Meth...-ME815728----
Methylimidazoleacetic acid;Imidazolepropionic acid...-ME815643----
Methylimidazoleacetic acid;Imidazolepropionic acid...-ME815652----
Methylimidazoleacetic acid;Imidazolepropionic acid...-ME815645----
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentano...-ME815805----
MethylphosphateMethanolphosphateME815883----
Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidin...-ME815714----
Mexiletine;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hex...-ME815811----
Monoiodothyronine-ME815988----
Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-fu...-ME815815----
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine-ME815583----
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2-ME815667----
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3-ME815604----
Myristic acid;12-Methyltridecanoic acid;Ethyl dode...-ME815819----
Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradece...-ME815863----
N-(1-Deoxy-1-fructosyl)histidine-ME815668----
N-(1-Deoxy-1-fructosyl)histidine.2-ME815669----
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructo...-ME815768----
N-(1-Deoxy-1-fructosyl)threonine-ME815743----
N-(1-Deoxy-1-fructosyl)tyrosine-ME815933----
N-(1-Deoxy-1-fructosyl)valine-ME815831----
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyr...-ME815756----
N2-Fructopyranosylarginine-ME815777----
N2,N2-Dimethylguanosine;1,7-Dimethylguanosine-ME815880----
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamid...-ME815808----
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)aceta...-ME815938----
N6-Acetyl-L-lysineN6-AcetyllysineME815536----
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy...-ME815942----
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputrea...-ME815873----
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME815537----
N-Acetylarylamine;2'-Aminoacetophenone;2-Aminoacet...-ME815814----
N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyr...-ME815929----
N-AcetylasparagineN-AcetylasparagineME815528----
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME815529----
N-Acetyl-D-glucosamineN-AcetylglucosamineME815523----
N-Acetyl-glucosamine 1-phosphateN-Acetylglucosamine 1-phosphateME815524----
N-Acetylglutamic acidN-Acetylglutamic acidME815530----
N-AcetylglutamineN-AcetylglutamineME815531----
N-AcetylhistidineN-AcetylhistidineME815910----
N-Acetyl-L-alanineN-AcetylalanineME815525----
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME815526----
N-Acetyl-L-methionineN-AcetylmethionineME815527----
N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycin...-ME816013----
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid-ME815578----
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid...-ME815658----
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid...-ME815615----
N-AcetylornithineN-AcetylornithineME815532----
N-AcetylputrescineN-AcetylputrescineME815533----
N-Acetyltaurine;Homocysteinesulfinic acid-ME815598----
N-Acetyltaurine;Homocysteinesulfinic acid.2-ME815648----
N-Acetyltaurine;Homocysteinesulfinic acid.3-ME815617----
N-acetyltryptophanN-Acetyl-tryptophanME815534----
NADNADME815538----
NADPNADPME815539----
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalan...-ME816036----
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalan...-ME815857----
N-Desmethyl tapentadol-ME815813----
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME815902----
Neuraminic acid;N-(1-Deoxy-1-fructosyl)serine-ME815885----
N-Formyl-L-methionineN-FormylmethionineME815535----
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutami...-ME815795----
N-Gluconyl ethanolamineN-Gluconyl ethanolamineME815958----
N-Glycolylneuraminic acid;NeuNGc-ME815932----
NiacinamideNiacinamideME815540----
Nicotinamide ribosideNicotinamide ribosideME815541----
N-lactoyl-MethionineN-Lactoyl methionineME815823----
N-Methyl-1-deoxynojirimycinN-Methyl-1-deoxynojirimycinME815946----
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylh...-ME816010----
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylh...-ME815987----
N-Methylnicotinamide;Pralidoxime;2-Methylnicotinam...-ME815764----
N,N'-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolid...-ME815869----
N,N-Dimethylformamide;Aminoacetone;3-Aminopropiona...-ME816029----
N,O-Didesmethyltramadol;N,N-Didesmethyltramadol-ME815755----
norcisapride-ME815995----
N-Succinyl-L,L-2,6-diaminopimelateN-Succinyl-L,L-2,6-diaminopimelateME815656----
N-Succinyl-L,L-2,6-diaminopimelate.2N-Succinyl-L,L-2,6-diaminopimelateME815661----
N-UndecanoylglycineNAGly 11:0ME815730----
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME815911----
Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic...-ME815775----
O-methoxycatechol-O-sulphate-ME815979----
O-PhosphoethanolaminePhosphoethanolamineME815542----
Ophthalmic acidOphthalmic acidME815740----
OrnithineOrnithineME815543----
Orotic acidOrotic acidME815544----
OrotidineOrotidineME815969----
Oxidized glutathioneOxidized glutathioneME815545----
Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-O...-ME815812----
Oxoglutaric acid2-Oxoglutaric acidME815546----
Palmitic acidPalmitic acidME815547----
Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;...-ME815787----
Pantothenic acidPantothenic acidME815548----
p-Chlorobenzene sulfonyl urea-ME815595----
p-Chlorobenzene sulfonyl urea.2-ME815609----
p-Chlorobenzene sulfonyl urea.3-ME815603----
p-Chlorobenzene sulfonyl urea.4-ME815599----
p-Chlorobenzene sulfonyl urea.5-ME815597----
p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-Vacci...-ME815976----
p-Cresol sulfate;Benzyl sulfate-ME815707----
Pectic acid;Galacturonic acid;5-Keto-D-gluconate;P...-ME815950----
Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-me...-ME815705----
Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-me...-ME815953----
Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin...-ME815751----
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-eth...-ME815944----
Phenol sulphatePhenyl hydrogen sulfateME815701----
Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolid...-ME815822----
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hyd...-ME815663----
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hyd...-ME815666----
PhosphocreatinePhosphocreatineME815549----
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME815550----
PhosphorylcholineCholine phosphateME815551----
PimelylcarnitineCAR DC7:0ME816011----
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;V...-ME815681----
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;V...-ME815997----
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;V...-ME815990----
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;V...-ME815828----
PiperidinePiperidineME815592----
Piperidine.3PiperidineME815637----
Piperidine.4PiperidineME815619----
Polyethylene, oxidized-ME815927----
Proline betaine;L-2-Amino-3-methylenehexanoic acid...-ME815695----
Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hyd...-ME815897----
Propionic acid;Methyl acetate;Hydroxyacetone;Lacta...-ME816028----
PropionylcarnitineCAR 3:0ME815552----
Protocatechuic acid;Gentisic acid;3,5-Dihydroxyben...-ME815998----
PseudouridinePseudouridineME815928----
Pummeline;Koeniginequinone B;4-hydroxy ketorolac-ME815960----
Pyrocatechol sulfate;Hydroquinone sulfate-ME815784----
Pyroglutamic acidPyroglutamic acidME815553----
PyrophosphatePyrophosphateME815920----
PyrrolidinePyrrolidineME815935----
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarbox...-ME815677----
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarbox...-ME816049----
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarbox...-ME816048----
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarbox...-ME815747----
Pyruvic acidPyruvic acidME815554----
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-menth...-ME815780----
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydro...-ME815626----
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydro...-ME815650----
RiboflavinRiboflavinME815555----
Ribothymidine;3-Methyluridine;Imidazoleacetic acid...-ME815898----
R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-pr...-ME815893----
S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-t...-ME815778----
Saccharopine;L-saccharopinate(1-)-ME815866----
S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-...-ME815794----
S-AdenosylhomocysteineS-AdenosylhomocysteineME815556----
S-AdenosylmethionineS-AdenosylmethionineME815557----
Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-M...-ME815710----
Serotonin;Cotinine-ME815700----
SertralineSertralineME816027----
S-(Formylmethyl)glutathioneS-(Formylmethyl)glutathioneME815716----
(S)-Homostachydrine;Tranexamic Acid-ME815726----
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Is...-ME815964----
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethy...-ME815839----
Sorbitol;Mannitol;Galactitol;L-Iditol-ME815820----
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adip...-ME815856----
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adip...-ME815703----
Succinic acidSuccinic acidME815558----
Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,...-ME815860----
Succinylcarnitine;Methylmalonylcarnitine;O-methylm...-ME815886----
Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulo...-ME815679----
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-...-ME815974----
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-...-ME815809----
SulfaphenazoleSulfaphenazoleME816004----
SulfateSulfateME815693----
Sulfolithocholylglycine;Sulfoglycolithocholate(2-)-ME815630----
Sulfolithocholylglycine;Sulfoglycolithocholate(2-)...-ME815640----
Tartaric acid;D-Tartaric acid;3-carboxy-2,3-dihydr...-ME815704----
TaurineTaurineME815559----
Taurocholic acid;Taurohyocholate;Tauro-b-muricholi...-ME815682----
Taurocholic acid;Taurohyocholate;Tauroursocholic a...-ME816047----
Tenofovir-ME815947----
Tetradecanedioic acid;Diisobutyl adipate;Diethyl d...-ME815862----
Tetrahydro-2,5-furan-diacetic acid-ME816009----
Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Bu...-ME815826----
ThiamineThiamineME815560----
Thiamine monophosphateThiamine monophosphateME815561----
Thiolutin-ME815816----
Thiosulfate;Hydroxidodioxidosulfidosulfate-ME816046----
Threonic acid;Erythronic acid;L-threonic Acid-ME815664----
Threonic acid;Erythronic acid;L-threonic Acid.2-ME815665----
Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Sery...-ME815807----
ThymidineThymidineME815562----
TiglylcarnitineCAR 4:1;2MeME816020----
Tolmetin glucuronide-ME815793----
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-...-ME815593----
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-...-ME815616----
trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimet...-ME815855----
trans-Aconitic acid;Dehydroascorbic acid;Dehydroas...-ME815632----
trans-Aconitic acid;Dehydroascorbic acid;Dehydroas...-ME815638----
Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-o...-ME816031----
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancar...-ME815624----
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancar...-ME815642----
Trichloroacetic acid-ME815767----
TriethanolamineTriethanolamineME815962----
Triethylene Glycol Monomethyl Ether-ME816042----
Trifluoroacetic acid-ME815654----
Trifluoroacetic acid.2-ME815660----
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(meth...-ME815731----
Tromethamine2-Amino-2-methylol-propane-1,3-diolME815750----
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,...-ME815849----
Tyramine glucuronideCoenzyme Q10ME816002----
Ubiquinone-1;Methyl neopentyl phthalic acid;Helino...-ME815967----
Undecanedioic acid;Butyl butyryllactate-ME815702----
Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl h...-ME815936----
UracilUracilME815563----
Urate radicalUric acidME815872----
Ureidopropionic acidUreidopropionic acidME815564----
Ureidosuccinic acidN-Carbamoylaspartic acidME815565----
Uric acidUric acidME815566----
UridineUridineME815567----
Uridine 5'-monophosphateUMPME815568----
Uridine diphosphate glucoseUDP-glucoseME815570----
Uridine diphosphate glucuronic acidUDP-glucuronic acidME815571----
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME815569----
Urocanic acidUrocanic acidME815572----
ValdecoxibValdecoxibME815903----
Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Car...-ME816032----
XanthineXanthineME815573----
XanthosineXanthosineME815734----
Xanthylic acid;5'-xanthylate(2-)-ME816018----
xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexad...-ME815985----
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne-ME816038----
(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbut...-ME815965----
ZanamivirZanamivirME815761----
Zileuton O-glucuronide-ME816024----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
C10:0Capric acidME816089----
C12:0Lauric acidME816088----
C13:0Tridecylic acidME816055----
C14:0CAR 14:0ME816053----
C14:1CAR 14:1ME816082----
C15:0CAR 15:0ME816065----
C15:1CAR 15:1ME816067----
C16:0CAR 16:0ME816068----
C16:1CAR 16:1ME816057----
C16:2CAR 16:2ME816078----
C17:0CAR 17:0ME816073----
C17:1CAR 17:1ME816090----
C18:0CAR 18:0ME816062----
C18:1CAR 18:1ME816056----
C18:2CAR 18:2ME816092----
C18:3CAR 18:3ME816061----
C18:4Octadecatetraenoic acidME816070----
C19:0CAR 19:0ME816071----
C20:0Arachidic acidME816086----
C20:1CAR 20:1ME816069----
C20:2CAR 20:2ME816080----
C20:3CAR 20:3ME816085----
C20:4Arachidonic acidME816058----
C20:5CAR 20:5ME816081----
C21:1Heneicosenoic acidME816059----
C22:0Behenic acidME816087----
C22:1CAR 22:1ME816064----
C22:2CAR 22:2ME816066----
C22:3CAR 22:3ME816076----
C22:4CAR 22:4ME816072----
C22:5CAR 22:5ME816084----
C22:6CAR 22:6ME816083----
C24:0CAR 24:0ME816091----
C24:1CAR 24:1ME816060----
C24:2Tetracosadienoic acidME816077----
C24:3Tetracosatrienoic acidME816054----
C26:0CAR 26:0ME816075----
C26:1CAR 26:1ME816074----
C28:0Montanic acidME816063----
C28:1Octacosenoic acidME816079----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CE 16:0CE 16:0ME816093----
CE 18:2CE 18:2ME816094----
CE 20:5CE 20:5ME816095----
CE 22:5CE 22:5ME816096----
CE 22:6CE 22:6ME816097----
Cer 42:0;2OCer 42:0;O2ME816098----
Cer 42:1;3OCer 42:1;O3ME816099----
Cer 42:2;2OCer 42:2;O2ME816100----
Cer 42:3;2OCer 42:3;O2ME816101----
Cer 43:0;2OCer 43:0;O2ME816102----
Cer 44:0;2OCer 44:0;O2ME816103----
Cer 44:0;3OCer 44:0;O3ME816104----
Cer 44:0;4OCer 44:0;O4ME816105----
Cer 44:1;2OCer 44:1;O2ME816106----
Cer 44:1;3OCer 44:1;O3ME816107----
Cer 46:0;3OCer 46:0;O3ME816108----
Cer 46:0;4OCer 46:0;O4ME816109----
DG 34:3DG 34:3ME816110----
DG 36:0DG 36:0ME816111----
DG 36:4DG 36:4ME816112----
DG 38:2DG 38:2ME816113----
DG 38:6DG 38:6ME816114----
DG 41:0DG 41:0ME816115----
DG 50:2DG 50:2ME816116----
DG O-31:1DG O-31:1ME816117----
DG O-36:0DG O-36:0ME816118----
HexCer 36:1;2OHexCer 36:1;O2ME816119----
HexCer 40:1;2OHexCer 40:1;O2ME816120----
HexCer 42:1;2OHexCer 42:1;O2ME816121----
LPC 14:0LPC 14:0ME816122----
LPC 16:0LPC 16:0ME816123----
LPC 17:1LPC 17:1ME816124----
LPC 18:0LPC 18:0ME816125----
LPC 18:1LPC 18:1ME816126----
LPC 18:2LPC 18:2ME816127----
LPC 19:2LPC 19:2ME816128----
LPC 20:0LPC 20:0ME816129----
LPC 20:1LPC 20:1ME816130----
LPC 22:0LPC 22:0ME816131----
LPC 23:0LPC 23:0ME816132----
LPC 24:0LPC 24:0ME816133----
LPE 16:0LPE 16:0ME816134----
LPE 20:3LPE 20:3ME816135----
LPE 20:4LPE 20:4ME816136----
LPE O-16:1LPE O-16:1ME816137----
LPE O-18:2LPE O-18:2ME816138----
PC 30:0PC 30:0ME816139----
PC 32:0PC 32:0ME816140----
PC 32:1PC 32:1ME816141----
PC 32:2PC 32:2ME816142----
PC 33:0PC 33:0ME816143----
PC 33:1PC 33:1ME816144----
PC 33:2PC 33:2ME816145----
PC 34:0PC 34:0ME816146----
PC 34:4PC 34:4ME816147----
PC 35:0PC 35:0ME816148----
PC 35:1PC 35:1ME816149----
PC 35:4PC 35:4ME816150----
PC 36:3PC 36:3ME816151----
PC 36:6PC 36:6ME816152----
PC 37:1PC 37:1ME816153----
PC 38:1PC 38:1ME816154----
PC 38:2PC 38:2ME816155----
PC 38:3PC 38:3ME816156----
PC 38:7PC 38:7ME816157----
PC 39:6PC 39:6ME816158----
PC 40:8PC 40:8ME816159----
PC 41:6PC 41:6ME816160----
PC 41:7PC 41:7ME816161----
PC 42:1PC 42:1ME816162----
PC 42:10PC 42:10ME816163----
PC 42:8PC 42:8ME816164----
PC 42:9PC 42:9ME816165----
PC 44:12PC 44:12ME816166----
PC 44:4PC 44:4ME816167----
PC 44:5PC 44:5ME816168----
PC 44:6PC 44:6ME816169----
PC O-32:0PC O-32:0ME816170----
PC O-32:1PC O-32:1ME816171----
PC O-32:2PC O-32:2ME816172----
PC O-34:0PC O-34:0ME816173----
PC O-34:1PC O-34:1ME816174----
PC O-34:2PC O-34:2ME816175----
PC O-34:3PC O-34:3ME816176----
PC O-34:4PC O-34:4ME816177----
PC O-36:1PC O-36:1ME816178----
PC O-36:4PC O-36:4ME816179----
PC O-36:5PC O-36:5ME816180----
PC O-40:1PC O-40:1ME816181----
PC O-40:6PC O-40:6ME816182----
PC O-40:7PC O-40:7ME816183----
PC O-40:8PC O-40:8ME816184----
PC O-40:9PC O-40:9ME816185----
PC O-42:4PC O-42:4ME816186----
PC O-42:5PC O-42:5ME816187----
PC O-42:6PC O-42:6ME816188----
PC O-42:7PC O-42:7ME816189----
PC O-44:5PC O-44:5ME816190----
PE 34:1PE 34:1ME816191----
PE 34:2PE 34:2ME816192----
PE 36:1PE 36:1ME816193----
PE 36:2PE 36:2ME816194----
PE 36:3PE 36:3ME816195----
PE 36:4PE 36:4ME816196----
PE 38:4PE 38:4ME816197----
PE 38:6PE 38:6ME816198----
PE P-36:4PE P-36:4ME816199----
PI 34:1PI 34:1ME816200----
PI 34:2PI 34:2ME816201----
PI 36:2PI 36:2ME816202----
PI 36:3PI 36:3ME816203----
PI 38:5PI 38:5ME816204----
PI 38:6PI 38:6ME816205----
PI 40:5PI 40:5ME816206----
PI 40:6PI 40:6ME816207----
SM 33:1;3OSM 33:1;O3ME816208----
SM 34:0;2OSM 34:0;O2ME816209----
SM 34:1;2OSM 34:1;O2ME816210----
SM 34:2;2OSM 34:2;O2ME816211----
SM 35:1;2OSM 35:1;O2ME816212----
SM 35:2;2OSM 35:2;O2ME816213----
SM 36:0;2OSM 36:0;O2ME816214----
SM 36:1;2OSM 36:1;O2ME816215----
SM 36:2;2OSM 36:2;O2ME816216----
SM 36:2;3OSM 36:2;O3ME816217----
SM 36:3;2OSM 36:3;O2ME816218----
SM 37:1;2OSM 37:1;O2ME816219----
SM 38:2;3OSM 38:2;O3ME816220----
SM 38:4;2OSM 38:4;O2ME816221----
SM 38:5;3OSM 38:5;O3*ME816222----
SM 39:1;2OSM 39:1;O2ME816223----
SM 39:9;3OSM 39:9;O3*ME816224----
SM 42:1;2OSM 42:1;O2ME816225----
SM 42:1;3OSM 42:1;O3ME816226----
SM 42:2;2OSM 42:2;O2ME816227----
SM 42:5;2OSM 42:5;O2ME816228----
SM 42:7;2OSM 42:7;O2ME816229----
SM 42:7;3OSM 42:7;O3*ME816230----
SM 43:6;2OSM 43:6;O2ME816231----
SM 43:7;2OSM 43:7;O2ME816232----
SM 48:7;2OSM 48:7;O2*ME816233----
SM 60:3;3OSM 60:3;O3*ME816234----
SM 60:4;3OSM 60:4;O3*ME816235----
TG 34:0TG 34:0ME816236----
TG 39:1;1O-ME816237----
TG 40:0TG 40:0ME816238----
TG 40:1TG 40:1ME816239----
TG 40:1;1O-ME816240----
TG 41:0TG 41:0ME816241----
TG 41:1;1O-ME816242----
TG 42:0TG 42:0ME816243----
TG 42:1TG 42:1ME816244----
TG 42:2TG 42:2ME816245----
TG 43:0TG 43:0ME816246----
TG 43:1TG 43:1ME816247----
TG 43:1;1O-ME816248----
TG 43:2;1O-ME816249----
TG 44:0TG 44:0ME816250----
TG 44:1TG 44:1ME816251----
TG 44:2TG 44:2ME816252----
TG 44:3TG 44:3ME816253----
TG 45:2TG 45:2ME816254----
TG 47:2TG 47:2ME816255----
TG 48:2TG 48:2ME816256----
TG 48:3TG 48:3ME816257----
TG 48:4TG 48:4ME816258----
TG 49:2TG 49:2ME816259----
TG 49:3TG 49:3ME816260----
TG 49:4TG 49:4ME816261----
TG 50:0TG 50:0ME816262----
TG 50:1TG 50:1ME816263----
TG 50:2TG 50:2ME816264----
TG 50:3TG 50:3ME816265----
TG 50:4TG 50:4ME816266----
TG 52:0TG 52:0ME816267----
TG 52:1TG 52:1ME816268----
TG 52:1;1O-ME816269----
TG 52:2;1O-ME816270----
TG 52:3;1O-ME816271----
TG 52:4TG 52:4ME816272----
TG 52:5;2O-ME816273----
TG 53:0TG 53:0ME816274----
TG 53:1TG 53:1ME816275----
TG 53:2TG 53:2ME816276----
TG 53:3TG 53:3ME816277----
TG 53:4TG 53:4ME816278----
TG 54:3TG 54:3ME816279----
TG 54:4TG 54:4ME816280----
TG 54:4;1O-ME816281----
TG 54:5TG 54:5ME816282----
TG 54:6TG 54:6ME816283----
TG 54:7TG 54:7ME816284----
TG 54:8TG 54:8ME816285----
TG 55:0TG 55:0ME816286----
TG 55:1TG 55:1ME816287----
TG 55:2TG 55:2ME816288----
TG 55:3TG 55:3ME816289----
TG 55:4TG 55:4ME816290----
TG 55:5TG 55:5ME816291----
TG 56:1TG 56:1ME816292----
TG 56:2TG 56:2ME816293----
TG 56:3TG 56:3ME816294----
TG 56:4TG 56:4ME816295----
TG 56:5TG 56:5ME816296----
TG 56:6TG 56:6ME816297----
TG 56:7TG 56:7ME816298----
TG 56:8TG 56:8ME816299----
TG 56:9TG 56:9ME816300----
TG 57:0TG 57:0ME816301----
TG 57:8TG 57:8ME816302----
TG 58:7TG 58:7ME816303----


  logo