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Analysis: None (Direct infusion) 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 acidME4673465312435-5555-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME4673475312513-5780-
10-undecenoate (11:1n1)10-Hendecenoic acidME46734814891C139105085.8-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME467326--1566-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME467327--2154-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME467328--2270-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME467329--2226-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME467330--2351-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME467331--2443-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME467332--2600-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME467333--2218-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME46733411146967-2454-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME46733510917802-1547-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME467336--1558-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME4673379547058-2511-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME467338--2633-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME467339--2950-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME467340--1649-
12,13-DiHOME12,13-DiHOMEME46734910236635C148295137-
1,2,3-benzenetriol sulfate (2)Pyrogallol sulfateME467341--1709-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4673425288075-2006-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME467343452110-2365-
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME467320151014-5499-
13-HODE + 9-HODEHODEME467350--5275-
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME467321--5695-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME46734464960C07326802-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME467351--4240-
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME4673223083779-5993-
17alpha-hydroxypregnenolone 3-sulfate-ME467352152971-4800-
1,7-dimethylurate1,7-Dimethyluric acidME46734591611C163561578.6-
1-arachidonoyl-GPC* (20:4)*LPC 20:4/0:0ME467353-C052081460-
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME46735442607465-1470-
1-arachidonoyl-GPI* (20:4)*LPI 20:4/0:0ME467355--5482-
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME467356--2844-
1-carboxyethylvaline1-CarboxyethylvalineME467357--2008-
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME467358--6400-
1-linolenoyl-GPC (18:3)*LPC 18:3ME467359--1410-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME467360--1969-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME467361--1939-
1-linoleoylglycerol (18:2)MG 18:2ME4673625283469-6477-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME46736311988421C041001465-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME46736452925130-1482-
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME467365--5516-
1-linoleoyl-GPI* (18:2)*LPI 18:2/0:0ME467366--5494-
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME46736775810C058282064-
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME4673686451814-1989-
1-methyladenosine1-MethyladenosineME46736927476C024942120-
1-methylhistidine1-MethylhistidineME46737092105C011522755-
1-methylnicotinamide1-Methyl nicotinamideME467371457C029181940-
1-methylurate1-Methyluric acidME46737269726C163591900-
1-methylxanthine1-MethylxanthineME46737380220C163581568.8-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME467374--1914-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME467375129657-2147-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME467376--2011-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME467377--2119-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4673785283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME46737916081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4673809547071-1554-
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME467381--5599-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME467382--1850-
1-palmitoleoyl-GPC* (16:1)*LPC 16:1/0:0ME46738324779461-1450-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME46738410747814-2091-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME4673859546800-2198-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME467386--2567-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME4673876441886-2023-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME4673889546799-2119-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4673895287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4673909546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME467391--910-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4673926436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4673935283496-2509-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME467394--893-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME467395--2160-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME467396--2653-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME46739786554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4673989547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4673993300276-5570-
1-palmitoyl-GPI* (16:0)LPI 16:0/0:0ME467400--5564-
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME4674015117448C051312006-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME46740216219824-2300-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME4674035289133-2424-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME467404--3000-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME467405--2197-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME4674069546798-2317-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME467407--2380-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME4674089546749-2522-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME467409--3185-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME467410--2644-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME467411--2858-
1-stearoyl-2-oleoyl-GPG (18:0/18:1)PG 18:0/18:1ME467412--717-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME467413--3711-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME467414497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4674159547068-1626-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME467416--5794-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME467421134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME467417301941-787-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME467418--1156-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME467419677C040391050-
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME4674209338-2575-
2-acetamidophenol sulfate2-Acetamidophenol sulfateME467422181671-2251-
2-aminoadipatealpha-Aminoadipic acidME467423469C009563500-
2-aminobutyrate2-Aminobutyric acidME467424439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME467425227939-3160-
2-aminooctanoate2-Aminocaprylic acidME46742669522-750-
2-aminophenol sulfate2-Aminophenyl sulfateME467427181670-1677-
2'-deoxyuridineDeoxyuridineME46742813712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME467429164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME46743086290013-1674-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME467431--1258-
2-hydroxydecanoate2-Hydroxycapric acidME46743221488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME46743343C02630958-
2-hydroxyhippurate (salicylurate)Salicyluric acidME46743410253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME46743510443535-3462-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME46743694180-3736.8-
2-hydroxypalmitate2-Hydroxypalmitic acidME46743792836-5511.2-
2-hydroxystearate2-Hydroxystearic acidME46743869417C030455695-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME467439161227C002041900-
2-linoleoylglycerol (18:2)MG 18:2ME4674405365676-6250-
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME46744114367271-1633-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME46744286290014-1949-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME4674436426901-3050-
2-naphthol sulfate2-Naphthyl sulfateME46744474428-3658-
2'-O-methylcytidine2'-O-MethylcytidineME467445150971-2411-
2'-O-methyluridine2'-O-MethyluridineME467446102212-1831-
2-oxoarginine*2-OxoarginineME467447558C037711760-
2-palmitoyl-GPC* (16:0)*LPC 0:0/16:0ME46744815061532-6215-
2-piperidinone2-PiperidinoneME46744912665-1675-
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME46745013120901-1543-
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME46745110964471-1660-
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME467452--6350-
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME467453171198-1369-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME46745491C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME467455187488-1294-
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME467459--2204-
3-(4-hydroxyphenyl)lactate (HPLA)4-Hydroxyphenyllactic acidME4674569378C036721379-
3-amino-2-piperidone3-Amino-2-piperidoneME4674605200225-2065-
3-aminoisobutyrate3-Aminoisobutanoic acidME46746164956C051452190-
3beta-hydroxy-5-cholestenoateCholestenoic acidME467462165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME46746392997-5205-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME467464194501-4000-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME467465123979-2800-
3-formylindole1H-Indole-3-carboxaldehydeME46746610256C084933709-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME467467188979-1443.3-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4674681662C037612850-
3-hydroxyadipate*3-Hydroxy-adipic acidME467469151913-3131-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME467470441C010891480-
3-hydroxybutyroylglycine3-hydroxybutyroylglycineME467471--978-
3-hydroxydecanoate3-Hydroxydecanoic acidME46747226612-4634.7-
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME46747316663321-2252-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME467474151492-1725-
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME467475--2918-
3-hydroxyhippurate3-Hydroxyhippuric acidME467476450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME46747787C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME46747894216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME46747926613-3446-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME467480--1595.5-
3-hydroxysebacate3-Hydroxysebacic acidME4674813017884-1282-
3-hydroxystachydrine*3-HydroxystachydrineME467482442640-1049-
3-hydroxystearate3-Hydroxystearic acidME4674835282907-5674-
3-indoxyl sulfateIndoxyl sulfateME46748410258-2222.2-
3-methoxycatechol sulfate (1)3-Methoxycatechol sulfateME467485--2163-
3-methoxytyrosine3-MethoxytyrosineME4674861670-1606-
3-methyl-2-oxobutyrateKetoisovaleric acidME46748849C001411465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME46748947C006712064.2-
3-methyl catechol sulfate (1)3-Methylcatechol sulfateME467487--2790-
3-methylglutaconate3E-Methylglutaconic acidME4674901551553-2700-
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME467491128145-2687-
3-methylhistidine3-MethylhistidineME46749264969C01152906.3-
3-(methylthio)acetaminophen sulfate*-ME467457--2265-
3-methylxanthine3-MethylxanthineME46749370639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME46745883967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME467494107C056292860-
3-ureidopropionateUreidopropionic acidME467495111C02642875-
4-acetamidobutanoate4-Acetamidobutanoic acidME46749618189C029461350-
4-acetamidophenolAcetaminophenME4674971983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME46749883944-1400-
4-acetaminophen sulfateParacetamol sulfateME46749983939C068041792-
4-acetylphenyl sulfate4-Acetylphenyl sulfateME4675004684006-2375-
4-allylphenol sulfate4-Allylphenol sulfateME467501--3805-
4-ethylcatechol sulfate4-Ethylcatechol sulfateME467502--3379-
4-ethylphenyl sulfate4-EthylphenolME46750320822574C136373580-
4-guanidinobutanoate4-Guanidinobutanoic acidME467504500C010352320-
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME467505599C011273073-
4-hydroxychlorothalonil4-HydroxychlorothalonilME46750634217-4427-
4-hydroxycoumarin4-HydroxycoumarinME46750754682930C204142470-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME467508439902C030791141-
4-hydroxyhippurate4-Hydroxyhippuric acidME467509151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME467510127C006421361-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME467511979C011791690-
4-imidazoleacetateImidazoleacetic acidME46751296215C028352236-
4-methoxyphenol sulfate4-Methoxyphenol sulfateME467513--2412-
4-methyl-2-oxopentanoateKetoleucineME46751470C002332170-
4-methylcatechol sulfate4-Methylcatechol 1-sulfateME467515--2665-
4-vinylphenol sulfate4-HydroxystyreneME4675166426766C056273320-
5,6-dihydrothymineDihydrothymineME46751893556C009061637.8-
5,6-dihydrouracilDihydrouracilME467519649C004291120-
5,6-dihydrouridine5,6-DihydrouridineME46752094312-1119-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME46752188299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME467522108214C163651424-
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME467523--5208-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME467524--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME467525--4925-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME467526--4215-
5alpha-androstan-3beta,17beta-diol disulfate5alpha-Androstane-3beta,17beta-diol disulfateME467527242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME467528--4685-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME467529--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME467530--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME467531--5180-
5alpha-pregnan-diol disulfate-ME4675325127902-4310-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4675335312378-5224-
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME467534--1135-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME467517123986-2755-
5-hydroxyhexanoate5-Hydroxycaproic acidME467535170748-1267-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME4675371826C056351510.2-
5-hydroxyindole sulfate-ME467536--1928-
5-hydroxylysine5-HydroxylysineME4675381029C167412790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME467539439176C001702752-
5-methylthioribose5-MethylthioriboseME467540494-790-
5-methyluridine (ribothymidine)RibothymidineME467541445408-1778.1-
5-oxoprolinePyroglutamic acidME4675427405C01879738.5-
6-bromotryptophan6-BromotryptophanME467543--3371-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME467544122198196-2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4675453014237-965-
7-HOCA7alpha-Hydroxy-3-oxo-4-cholestenoic acidME4675463081085C173375288.1-
7-methylguanine7-MethylguanineME46754711361C022422175-
7-methylxanthine7-MethylxanthineME46754868374C163531350-
9,10-DiHOME9,10-DiHOMEME4675499966640C148285180-
acesulfameAcesulfameME46755036573-1581-
acetylcarnitine (C2)CAR 2:0ME4675511C025712282-
acisogaAcisogaME467552129397-2297-
aconitate [cis or trans]cis-Aconitic acidME467553--580-
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME4675546076C005751952.2-
adipoylcarnitine (C6-DC)CAR DC6:0ME46755571296139-2570-
adrenate (22:4n6)Adrenic acidME4675565497181C165275678-
alanineAlanineME4675575950C000411700-
allantoinAllantoinME467558204C023501672-
alliinAlliinME46755987310C082651003.3-
allo-threonineAllothreonineME46756099289C055192511.1-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME46756183697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME46756299823-1052-
alpha-ketobutyrate3-Methyl pyruvic acidME46756358C00109949.2-
alpha-ketoglutaramate*2-Keto-glutaramic acidME46756448-1916-
alpha-ketoglutarate2-Oxoglutaric acidME46756551C000262700-
alpha-tocopherolalpha-TocopherolME46756614985C024772522-
AMPAMPME4675676083C000201013-
androstenediol (3alpha, 17alpha) monosulfate (2)-ME467569--4712-
androstenediol (3alpha, 17alpha) monosulfate (3)-ME467570--5180-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME46757187120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME467572--4065-
androstenediol (3beta,17beta) monosulfate (1)-ME46757313847309-4535-
androstenediol (3beta,17beta) monosulfate (2)-ME467574--4500-
andro steroid monosulfate C19H28O6S (1)*-ME467568--3871-
androsterone glucuronideAndrosterone 3-glucuronideME467575114833C111354953-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME467576159663-5022-
arabinoseArabinoseME46757766308C002161804.5-
arabitol/xylitolArabitolME467578--1932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME467579--2700-
arachidonate (20:4n6)Arachidonic acidME467580444899C002195535-
arachidonoylcarnitine (C20:4)CAR 20:4ME467581--1353-
arachidonoylcholineArachidonoylcholineME467582--1390-
argininate*Argininic acidME467583160437-2150-
arginineArginineME467584232C000622825-
asparagineAsparagineME4675856267C001521225-
aspartateAspartic acidME4675865960C000491165-
azelate (C9-DC)Azelaic acidME4675872266C082611276-
behenoylcarnitine (C22)*CAR 22:0ME467590--1561-
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME467588--3150-
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME467589--3083-
benzoateBenzoic acidME467591243C001801750-
beta-alaninebeta-AlanineME467592239C000991905-
beta-citrylglutamateBeta-Citryl-glutamic acidME46759372715786C20775530-
beta-cryptoxanthinCryptoxanthinME4675946384256-2560-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME46759569362-1027-
betaineBetaineME467596247C007191064-
betonicineBetonicineME467597164642C082691012-
bilirubinBilirubinME4675985280352C004861840-
bilirubin (E,E)*BilirubinME4675995315454-1045-
biliverdinBiliverdinME4676005353439C005001016-
butyrylcarnitine (C4)CAR 4:0ME467601439829C028622860-
butyrylglycine (C4)N-ButyrylglycineME46760288412-1470-
caffeic acid sulfateCaffeic acid sulfateME467603--1307-
caffeineCaffeineME4676042519C074812106-
caprate (10:0)Capric acidME4676052969C015715090.7-
caproate (6:0)Caproic acidME4676068892C015852713.7-
caprylate (8:0)Caprylic acidME467607379C064234362-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4676082572-2085-
carboxyibuprofenCarboxyibuprofenME46760910444113-1920-
carnitineCarnitineME46761010917C003181978-
carotene diol (2)Carotene diolME467611--1904-
carotene diol (3)Carotene diolME467612--1948-
catechol sulfateCatechol sulfateME4676133083879-1906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME467614--3850-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME467615--3920-
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME467616--3858-
cerotoylcarnitine (C26)*CAR 26:0ME467617--1649-
cetirizineCetirizineME4676182678C077781052-
C-glycosyltryptophanC-GlycosyltryptophanME46761910981970-1777-
chenodeoxycholateChenodeoxycholic acidME46762010133C025285264-
cholateCholic acidME467621221493C006955165-
cholesterolCholesterolME46762211025495C001872707-
cholineCholineME467623305C001141961-
cinnamoylglycineCinnamoylglycineME467624709625-3127-
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME4676255312351-4890-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME467626--1057-
citrateCitric acidME467627311C00158582-
citrullineCitrullineME4676289750C003271520-
corticosteroneCorticosteroneME4676295753C021405040-
cortisolCortisolME4676305754C007354710-
cortisoneCortisoneME467631222786C007624575-
creatineCreatineME467632586C003001947-
creatinineCreatinineME467633588C007912055-
cys-gly, oxidizedCYS-GLY, oxidizedME467634333293-2947-
cysteineCysteineME4676355862C000971475-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME4676374247235-2465-
cysteine s-sulfateCysteine-S-sulfateME467636115015C05824565-
cysteinylglycineCys-GlyME467638439498C014192132-
cysteinylglycine disulfide*Cysteinylglycine disulfideME467639--2547-
cystineCystineME46764067678C004913424-
cytidineCytidineME4676416175C004752124-
decanoylcarnitine (C10)CAR 10:0ME46764210245190-1130-
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME46764312594C045554745-
delta-CEHCdelta-CEHCME46764411536125-3422-
deoxycarnitine3-DehydroxycarnitineME467645134C011812052-
deoxycholateDeoxycholic acidME467646222528C044835294-
dihomolinoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4676476439848C165255730-
dihomolinolenate (20:3n3 or 3n6)Eicosatrienoic acidME4676485280581C032425596-
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME467649--1392-
dihomo-linolenoyl-cholineDihomo-gamma-linolenoylcholineME467650--1424-
dihydrocaffeate sulfate (2)Dihydrocaffeic acid 3-sulfateME467651--1328-
dihydroferulateDihydroferulic acidME46765214340-1928-
dihydroorotate4,5-Dihydroorotic acidME467653648C003371910-
dimethylarginine (ADMA + SDMA)DimethylarginineME467655123831C036262850-
dimethylglycineDimethylglycineME467656673C010261104-
dimethyl sulfoneDimethyl sulfoneME4676546213C11142832-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4676575282807C165336034-
docosadioate (C22-DC)Docosanedioic acidME467658244872C196255291.8-
docosahexaenoate (DHA; 22:6n3)DHAME467659445580C064295525-
docosahexaenoylcholineDocosahexaenoylcholineME467660--1378-
docosapentaenoate (DPA; 22:5n3)DPAME4676616441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME4676626441454C165135624.5-
dodecadienoate (12:2)*Dodecadienoic acidME467663--5146-
dodecanedioate (C12)Dodecanedioic acidME46766412736C026782990-
dodecenedioate (C12:1-DC)*Traumatic acidME467665--2700-
dopamine 3-O-sulfateDopamine 3-O-sulfateME467666122136C136901556.2-
ectoineEctoineME467667126041C062311980-
EDTAEdetic acidME4676686049C00284643-
eicosanedioate (C20-DC)Eicosanedioic acidME46766975502-5200.9-
eicosapentaenoate (EPA; 20:5n3)EPAME467670446284C064285450-
eicosenedioate (C20:1-DC)*-ME467671--5095-
eicosenoate (20:1n9 or 1n11)cis-Gondoic acidME4676725282768C165265950-
epiandrosterone sulfateEpiandrosteroneME4676739929317-4855-
equol glucuronideEquol glucuronideME467674--3215-
equol sulfateEquol 4'-sulfateME467675--3630-
ergothioneineErgothioneineME4676763032311C05570850-
erucate (22:1n9)cis-Erucic acidME4676775281116C083166355.6-
erythritolErythritolME467678222285C005031491-
erythronate*Erythronic acidME4676792781043-2186-
ethylmalonateEthylmalonic acidME46768011756-2785-
etiocholanolone glucuronideAndrosterone 3-glucuronideME467681270605-4915-
eugenol sulfateEugenol sulfateME467682180632-3782-
fluconazoleFluconazoleME4676833365D003223564-
formiminoglutamateFormiminoglutamic acidME467684439233C004391880-
fructoseFructoseME4676855984C000952065-
fumarateFumaric acidME467686444972C001223084-
gamma-CEHCgamma-CEHCME467687133098-3843-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME467688--2380-
gamma-glutamylalaninegamma-GlutamylalanineME467689440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME46769065254-2784-
gamma-glutamylcitrulline*gamma-GlutamylcitrullineME467691--1644-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME4676927015685-2725-
gamma-glutamylglutamategamma-Glutamylglutamic acidME46769392865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME467694150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME467695165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4676967017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME46769714253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME467698151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4676997009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME467700111299-2992-
gamma-glutamylthreoninegamma-GlutamylthreonineME46770176078708-1750-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME46770294340-1240-
gamma-glutamylvalinegamma-GlutamylvalineME4677037015683-2700-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME467704--2384-
genistein sulfate*Genistein sulfateME467705--3616-
gentisateGentisic acidME4677063469C00628905-
gluconateGluconic acidME46770710690C002572922-
glucoseGlucoseME4677085793C000312342-
glucuronateGlucuronic acidME467709444791C001913233.3-
glucuronide of piperine metabolite C17H21NO3 (3)*-ME467710--3951-
glucuronide of piperine metabolite C17H21NO3 (4)*-ME467711--3992-
glucuronide of piperine metabolite C17H21NO3 (5)*-ME467712--4039-
glutamateGlutamic acidME467713611C000251500-
glutamineGlutamineME4677145961C000641291-
glutarate (C5-DC)Glutaric acidME467715743C004892900-
glutarylcarnitine (C5-DC)CAR DC5:0ME46771671464488-2393-
glycerateGlyceric acidME467717752C002582070.4-
glycerolGlycerolME467718753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME467719754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME467720123874C01233659-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME46772171920C00670672-
glycineGlycineME467722750C000371375-
glycine conjugate of C10H14O2 (1)*-ME467723--4335-
glyco-beta-muricholateGly-betaMCAME467724--4762-
glycochenodeoxycholateGlycochenodeoxycholic acidME46772512544C054665236.1-
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME467726--4820-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME467727--4806-
glycocholateGlycocholic acidME46772810140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME467729--4750-
glycodeoxycholateGlycodeoxycholic acidME4677303035026C054645281-
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME467731--4875-
glycodeoxycholate glucuronide (1)-ME467732--2521-
glycohyocholateGlycohyocholic acidME467733--5020-
glycolithocholate sulfate*Sulfoglycolithocholic acidME46773472222C113015011-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME467735--3414-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME467736--3380-
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*HexCer 18:1;O2/24:1ME467737--3990-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME467738--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME467739--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME46774012310288-5033-
guaiacol sulfateGuaiacol sulfateME46774122473-2344-
guanidinoacetateGuanidoacetic acidME467742763C005812884-
gulonate*Gulonic acidME467743152304C002572750-
heptenedioate (C7:1-DC)*Heptenedioic acidME467744--2816-
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME46774513932172-5398-
hexadecanedioate (C16)Hexadecanedioic acidME46774610459C196154615-
hexadecenedioate (C16:1-DC)*-ME467747--4380-
hexanoylcarnitine (C6)CAR 6:0ME4677486426853-3358-
hexanoylglutamineHexanoylglutamineME467749--2780-
hippurateHippuric acidME467750464C015862106.9-
histidineHistidineME4677516274C00135755.9-
histidine betaine (hercynine)*HercynineME4677523083620-2094-
homoarginineHomoarginineME4677539085C019242882-
homocitrullineHomocitrullineME46775465072C024271908-
homostachydrine*(S)-HomostachydrineME467755441447C082831750-
homovanillate (HVA)Homovanillic acidME4677561738C055821649-
hydantoin-5-propionateHydantoin-5-propionic acidME467757782C055652080-
hydroquinone sulfateQuinol sulfateME467758161220C005301395-
hydroxyasparagineHydroxyasparagineME46775997663C031241149-
hydroxy-CMPF*-ME467760--1516-
hydroxy-N6,N6,N6-trimethyllysine*3-Hydroxy-N6,N6,N6-trimethyl-lysineME467761--2759-
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))SM 18:1;O2/24:0ME467762--2056-
hydroxyprolineHydroxyprolineME4677635810C011571064-
hyocholateHyocholic acidME46776492805C176495046-
hypotaurineHypotaurineME467765107812C005192763.4-
hypoxanthineHypoxanthineME467766790C002621291.2-
ibuprofenIbuprofenME4677673672D001264925-
ibuprofen acyl glucuronide-ME467768163959-4976-
imidazole lactateImidazolelactic acidME467769793C055682040-
imidazole propionateImidazole propanoateME46777070630-2263-
iminodiacetate (IDA)IminodiacetateME4677718897C19911830-
indole-3-carboxylateIndole-3-carboxylic acidME46777269867C198371710-
indoleacetateIndoleacetic acidME467773802C009542200-
indoleacetoylcarnitine*-ME467774--3114-
indolelactateIndolelactic acidME46777592904C020432286-
indolepropionate3-Indolepropionic acidME4677763744-2795-
inosineInosineME4677776021C002941602.1-
isobutyrylcarnitine (C4)CAR 3:0;2MeME467778168379-2810-
isobutyrylglycine (C4)IsobutyrylglycineME46777910855600-1420-
isocitric lactoneIsocitric acid lactoneME46778098259-2970-
isoleucineIsoleucineME4677816306C004072800-
isoursodeoxycholateIsoursodeoxycholic acidME467782127601C176624809-
isovalerate (C5)Isovaleric acidME46778310430C082621564-
isovalerylcarnitine (C5)CAR 4:0;3MeME4677846426851-3085-
isovalerylglycineIsovalerylglycineME467785546304-1950-
kynurenateKynurenic acidME4677863845C017172224-
kynurenineKynurenineME467787161166C003282739-
lactateLactic acidME467788612C001861469-
lactobacillic acidLactobacillic acidME46778910417-5822-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME467790--3842-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME467791--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME467792--2527-
laurate (12:0)Lauric acidME4677933893C026795300-
laurylcarnitine (C12)CAR 12:0ME46779410427569-1235-
leucineLeucineME4677956106-2864-
lignoceroylcarnitine (C24)*CAR 24:0ME467797--1603-
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME467796--3437-
linoleate (18:2n6)Linoleic acidME4677985280450C015955535-
linolenate (18:3n3 or 3n6)Octadecatrienoic acidME4677995280934C064265450-
linolenoylcarnitine (C18:3)*CAR 18:3ME467800--1310-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME467801--2650-
linoleoylcarnitine (C18:2)*CAR 18:2ME4678026450015-1430-
linoleoylcholine*alpha-LinoleoylcholineME467803--1388-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME467804--2720-
lithocholate sulfate (1)Lithocholic acid sulfateME467805--4811-
lysineLysineME4678065962C000472850-
malateMalic acidME467807525C00149615.6-
maleateMaleic acidME467808444266C013842640-
mannitol/sorbitolSorbitolME4678095780C007942320-
mannonate*Mannonic acidME4678103246006-2736-
mannoseMannoseME46781118950C001592200-
margarate (17:0)Margaric acidME46781210465-5731-
margaroylcarnitine (C17)*CAR 17:0ME467813--1424-
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME4678145312531-5650-
methionineMethionineME4678156137C000732526-
methionine sulfoneMethionine sulfoneME46781669961-1250-
methionine sulfoxideMethionine sulfoxideME467817158980C029891272-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME467819--2873-
methyl glucopyranoside (alpha + beta)Methyl glucoseME467818--1070-
methylmalonate (MMA)Methylmalonic acidME467820487C021703078.4-
methylsuccinateMethylsuccinic acidME46782110349-2800-
myo-inositolMyo-inositolME467822892C001373506.3-
myristate (14:0)Myristic acidME46782311005C064245440-
myristoleate (14:1n5)Myristoleic acidME4678245281119C083225346.9-
myristoleoylcarnitine (C14:1)*CAR 14:1ME46782590659872-1316-
myristoylcarnitine (C14)CAR 14:0ME4678276426854-1350-
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME467826--2060-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME46783169698C058421668-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME467832440810C058431260-
N1-methylinosine1-MethylinosineME46783365095-1430-
(N(1) + N(8))-acetylspermidineAsparagineME467323--3080-
N-(2-furoyl)glycine2-FuroylglycineME46782821863-1525-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME46783492919-2210-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME46783565977-1367-
N4-acetylcytidineN4-AcetylcytidineME467836107461-2040-
N6-acetyllysineN6-AcetyllysineME46783992832C027271059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME467840161466-2164-
N6-methyllysineN(6)-MethyllysineME467841164795C027282831-
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME467838193344C055452831-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME467837440120C037932825-
N6-succinyladenosineSuccinyladenosineME467842165243-940-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME46784353859791-2100-
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME46784495555-3943-
N-acetylalanineN-AcetylalanineME46784588064C028471564.8-
N-acetylalliinN-AcetylalliinME467846--1348-
N-acetylarginineN-AcetylarginineME46784767427C025622245-
N-acetylasparagineN-AcetylasparagineME46784899715-2250-
N-acetylaspartate (NAA)N-Acetylaspartic acidME46784965065C010423143-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME46785076406C01073773-
N-acetylcarnosineN-AcetylcarnosineME4678519903482-2141-
N-acetylcitrullineN-AcetylcitrullineME467852656979C15532940-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME467853--715-
N-acetylglucosaminylasparagineAspartylglycosamineME467854123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME46785570914C006243106-
N-acetylglutamineN-AcetylglutamineME467856182230C027162140-
N-acetylglycineN-AcetylglycineME46785710972-826-
N-acetylhistidineN-AcetylhistidineME46785875619C02997900-
N-acetylhomocitrulline-ME467859--1363-
N-acetyl-isoputreanineN-AcetylisoputreanineME467860131802901-2305-
N-acetylleucineN-AcetylleucineME46786170912C027102400-
N-acetylmethionineN-AcetylmethionineME467862448580C027121787-
N-acetylneuraminateN-Acetylneuraminic acidME467863439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME46786474839C035192597-
N-acetylputrescineN-AcetylputrescineME467865122356C027142230-
N-acetyl-S-allyl-L-cysteine-ME467866152467-2237-
N-acetylserineN-AcetylserineME46786765249-2000-
N-acetyltaurineN-AcetyltaurineME467868159864-800-
N-acetylthreonineN-AcetylthreonineME467869152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME467870700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME46787168310-1680-
N-acetylvalineN-AcetylvalineME46787266789-1704-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME467873--3911-
N-carbamoylalanineN-CarbamoylalanineME467874426409-950-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4678759920500-858-
nervonoylcarnitine (C24:1)*CAR 24:1ME467876--1602-
N-formylanthranilic acidFormylanthranilic acidME467877101399C056532150-
N-formylmethionineN-FormylmethionineME467878439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME467879759256-2360-
nicotinamideNiacinamideME467880936C001531942-
N-methylprolineN-Methyl-prolineME467881557-1335-
N-methyltaurineN-MethyltaurineME4678827882-1650-
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME46782914274897-2186-
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME467830--2470-
N-oleoyltaurineN-Oleoyl taurineME4678836437033-5610-
nonadecanoate (19:0)Nonadecylic acidME46788412591C165356068-
nonanoylcarnitine (C9)CAR 9:0ME467885--1010-
N-oxalyl glycine (NOG)N-OxalylglycineME4678863080614-3292-
N-palmitoylglycineN-Palmitoyl glycineME467887151008-5580-
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME467888--2490-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4678895283564-2893-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4678905283565-3392-
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME467891--4676-
octadecanedioate (C18)Octadecanedioic acidME46789270095-5043-
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME467893--1227-
octadecenedioate (C18:1-DC)Octadecenedioic acidME467894--4875-
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME467895--1180-
octanoylcarnitine (C8)CAR 8:0ME467896123701C02838950-
oleate/vaccenate (18:1)Oleic acidME467897--5655-
oleoylcarnitine (C18:1)CAR 18:1ME4678996441392-1423-
oleoylcholineOleoylcholineME467900--1449-
oleoyl ethanolamideOleoyl-EAME4678985283454-6450-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME467901--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME467902--3223-
ornithineOrnithineME4679036262C000772800-
orotateOrotic acidME467904967C002951638.1-
orotidineOrotidineME46790592751-2250-
O-sulfo-L-tyrosineSulfotyrosineME467906514186-990-
oxalate (ethanedioate)Oxalic acidME467907971C00209603-
palmitate (16:0)Palmitic acidME467908985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME467909445638C083625475-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME46791071464547-1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME467911--2664-
palmitoylcarnitine (C16)CAR 16:0ME467914461C029901425-
palmitoylcholinePalmitoylcholineME467915151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4679129939965-2290-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4679139939941-2168-
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME467916--2207-
pantothenate (Vitamin B5)Pantothenic acidME4679176613C008641498.7-
paraxanthineParaxanthineME4679184687C137472279-
p-cresol glucuronide*P-Cresol glucuronideME467919154035-2420-
p-cresol sulfatep-Cresol sulfateME4679204615423-2890-
pentadecanoate (15:0)Pentadecylic acidME46792113849C165375521-
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME46792274483C181425233-
perfluorooctanoate (PFOA)Perfluorooctanoic acidME4679239554-5130-
phenol sulfatePhenyl hydrogen sulfateME46792474426C021802156-
phenylacetatePhenyl acetateME467925999C070862150-
phenylacetylcarnitine-ME467926101724840-3092-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME46792792258C041482330-
phenylalaninePhenylalanineME4679286140C000792878-
phenyllactate (PLA)Phenyllactic acidME4679293848C056072208-
phenylpyruvatePhenylpyruvic acidME467930997C001662515-
phosphatePhosphoric acidME4679311061C00009576-
phosphocholineCholine phosphateME4679321014C00588700-
phosphoethanolamine (PE)PhosphoethanolamineME4679331015C00346700-
picolinatePicolinic acidME4679341018C10164910-
pipecolatePipecolic acidME467935849C004082200-
piperinePiperineME467936638024C038821168-
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME467937123796-5145-
pregnen-diol disulfate*-ME467938--3868-
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME467939--5000-
pregnenetriol disulfate*-ME467940--3504-
pregnenetriol sulfate*-ME467941--4749-
pregnenolone sulfatePregnenolone sulfateME467942105074-5100-
pristanatePristanic acidME467943123929-5773-
prolineProlineME467944145742C001481603-
prolylhydroxyprolinePro-hydroxyProME46794511673055-2128-
propionylcarnitine (C3)CAR 3:0ME467946107738C030172590-
propionylglycine (C3)PropionylglycineME46794798681-960-
propyl 4-hydroxybenzoate sulfatePropylparaben sulfateME467948--3971-
pseudouridinePseudouridineME46794915047C020671100-
pyridoxate4-Pyridoxic acidME4679506723C008472185-
pyroglutamine*PyroglutamineME467951134508-1900-
pyrralinePyrralineME467952122228-2304-
pyruvatePyruvic acidME4679531060C000221083-
quinateQuinic acidME4679546508C002962432.9-
quinolinateQuinolinic acidME4679551066C03722845-
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME46732453481617-2400-
retinol (Vitamin A)RetinolME467956445354C004731636-
ribitolRibitolME4679576912C004741789.6-
ribonateRibonic acidME4679585460677C016852425-
ribulonate/xylulonate/lyxonate*-ME467959--2350-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4679601196C043221528-
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME467325--2340-
saccharinSaccharinME4679615143D010852000-
salicylateSalicylic acidME467962338C00805802-
S-allylcysteineS-AllylcysteineME46796398280-2690-
sarcosineSarcosineME4679641088C002131280-
sebacate (C10-DC)Sebacic acidME4679655192C082771788-
serineSerineME4679665951C000651239-
serotoninSerotoninME4679675202C007802550-
S-methylcysteineMethylcysteineME46796824417-880-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME46796982142-900-
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME467970--1950-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME467971--2082-
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME467972--1837-
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME467973--2362-
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME467974--2600-
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME46797511433862-1998-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME467976--2312-
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME4679776443882-2167-
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME467978--2330-
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME467979--2685-
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME467980--2383-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...SM 18:1;O2/20:2ME467981--2039-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME467982--2793-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME467983--2666-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME467984--2209-
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME467985--3033-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME467986--3500-
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME467987--1860-
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME467988--2002-
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME467989--1904-
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME467990--2330-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME467991--2845-
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME467992--2315-
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME467993--2635-
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME467994--2215-
sphingosine 1-phosphateSphingosine 1-phosphateME4679955283560C061241375-
stachydrineStachydrineME467996115244C101721440-
stearidonate (18:4n3)Stearidonic acidME4679975312508C163005395-
stearoylcarnitine (C18)CAR 18:0ME4679996426855-1485-
stearoylcholine*StearoylcholineME468000--1520-
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME4679986453725C005502400-
suberate (C8-DC)Suberic acidME46800110457C082782577.6-
succinateSuccinic acidME4680021110C000423149-
succinylcarnitine (C4-DC)CAR DC4:0ME46800371464481-2291-
sulfate*SulfateME4680081118C00059616-
sulfate of piperine metabolite C16H19NO3 (2)*-ME468004--4112-
sulfate of piperine metabolite C16H19NO3 (3)*-ME468005--4200-
sulfate of piperine metabolite C18H21NO3 (1)*-ME468006--4481-
sulfate of piperine metabolite C18H21NO3 (3)*-ME468007--4630-
tartarateTartaric acidME468009444305C00898615.3-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME46801045C02287610-
taurineTaurineME4680111123C00245660-
tauro-beta-muricholateTauro-beta-muricholic acidME468012168408-4774-
taurochenodeoxycholateTaurochenodeoxycholic acidME468013387316C054655250-
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME468014--4809-
taurocholateTaurocholic acidME4680156675C051225150-
taurocholenate sulfate*Taurocholenate sulfateME468016--4750-
taurodeoxycholateTaurodeoxycholic acidME4680172733768C054635257.4-
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME468018--4850-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME468019440071C036425027-
tetradecadienedioate (C14:2-DC)*-ME468020--3148-
tetradecadienoate (14:2)*Tetradecadienoic acidME4680215312409-5292-
tetradecanedioate (C14)Tetradecanedioic acidME46802213185-3985-
theobromineTheobromineME4680235429C074801600-
theophyllineTheophyllineME4680242153C071302356.9-
thioprolineThioprolineME46802593176-1250-
threonateThreonic acidME468026151152C016202384-
threonineThreonineME4680276288C001881514-
thymol sulfate-ME468028-C099084410-
thyroxineThyroxineME4680295819C018294808-
tiglyl carnitine (C5)CAR 4:1;2MeME46803022833596-2962-
trans-2-hexenoylglycine-ME468031--2707-
trans-3,4-methyleneheptanoate-ME468032--3807-
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME468033--3200-
tridecenedioate (C13:1-DC)*-ME468034--3051-
trigonelline (N'-methylnicotinate)TrigonellineME4680355570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4680361145C011042100-
tryptophanTryptophanME4680376305C000782986-
tryptophan betaineLenticinME468038442106C092132673-
tyramine O-sulfateTyramine-O-sulfateME468039153005-1565-
tyrosineTyrosineME4680406057C000822430-
umbelliferone sulfateUmbelliferone sulfateME468041129659-2440-
uracilUracilME4680421174C001061089.7-
urateUric acidME4680431175C00366757.1-
ureaUreaME4680441176C00086700-
uridineUridineME4680456029C002991457.6-
ursodeoxycholateUrsodeoxycholic acidME46804631401C078805055-
ursodeoxycholate sulfate (1)-ME468047--4328-
valerate (5:0)Valeric acidME4680487991C008031718-
valineValineME4680496287C001832479-
vanillactateVanillactic acidME468050160637-1625-
vanillylmandelate (VMA)Vanillylmandelic acidME4680511245C05584941-
xanthineXanthineME4680521188C003852023-
xanthurenateXanthurenic acidME4680535699C024702236-
ximenoylcarnitine (C26:1)*CAR 26:1ME468054--1607-
xyloseXyloseME468055135191C001811727-


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