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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 acidME4657645312435-5555-
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME4657655312513-5780-
10-undecenoate (11:1n1)10-Hendecenoic acidME465766--5085.8-
1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)*-ME465738--2324-
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME465739--1566-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME465740--2154-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME465741--2270-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME465742--2226-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME465743--2351-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME465744--2443-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME465745--2600-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME465746--2218-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME46574711146967-2454-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME46574810917802-1547-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME465749--1558-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME4657509547058-2511-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME465751--2633-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME465752--2950-
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME465753--1649-
11-ketoetiocholanolone glucuronide-ME465767--4280-
12,13-DiHOME12,13-DiHOMEME46576810236635C148295137-
1,2,3-benzenetriol sulfate (1)-ME465754--1453-
1,2,3-benzenetriol sulfate (2)-ME465755--1709-
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4657565288075-2006-
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME4657579546812-2083-
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME465758452110-2365-
1,2-dipalmitoyl-GPE (16:0/16:0)*PE 16:0/16:0ME465759--2498-
12-HETE12-HETEME4657695312983-5326-
1,3,7-trimethylurate1,3,7-Trimethyluric acidME46576079437C163611985-
1,3-dimethylurate1,3-Dimethyluric acidME46576170346-1671.4-
13-HODE + 9-HODEHODEME46577043013-5275-
13-methylmyristateIsopentadecylic acidME465771151014-5499-
14-HDoHE/17-HDoHE-ME465772--5296-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME46576264960C07326802-
15-methylpalmitate15-Methylpalmitic acidME46628017903417-5695-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME465773--4240-
16-hydroxypalmitateJuniperic acidME46577410466C182185236.2-
17alpha-hydroxypregnanolone glucuronide-ME465775--5071.9-
17alpha-hydroxypregnenolone 3-sulfate-ME465776152971-4800-
1,7-dimethylurate1,7-Dimethyluric acidME46576391611C163561578.6-
17-methylstearateXi-17-Methyloctadecanoic acidME4657773083779-5993-
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME465778-C052081460-
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME46577942607465-1470-
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME465780--5482-
1-arachidonylglycerol (20:4)MG 20:4ME4657815282281C138576250-
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME465782--1907-
1-linolenoyl-GPC (18:3)*LPC 18:3ME465783--1422-
1-linolenoyl-GPE (18:3)*-ME465784--1420-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME465785--1969-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME465786--1939-
1-linoleoylglycerol (18:2)MG 18:2ME4657875283469-6477-
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME465788--1441-
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME46578911988421C041001465-
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME46579052925130-1482-
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME465791--5516-
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME465792--5494-
1-methylhistidine1-MethylhistidineME46579492105C011522755-
1-methylimidazoleacetateMethylimidazoleacetic acidME46579575810C058282064-
1-methylnicotinamide1-Methyl nicotinamideME46579610129985C029181940-
1-methylurate1-Methyluric acidME46579769726C163591099-
1-methylxanthine1-MethylxanthineME46579880220C163581568.8-
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME465799--2165-
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4658005283468-6650-
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME46580116081932-1540-
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4658029547071-1554-
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME465803--5610-
1-oleoyl-GPI (18:1)*LPI 18:1/0:0ME465804--5599-
1-palmitoleoylglycerol (16:1)*MG 16:1ME465805--6094-
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME46580624779461-1450-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME46580710747814-2091-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME4658089546800-2198-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME465809--2567-
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*PC 16:0_18:3ME465810--2034-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4658115287971-2160-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4658129546747-2275-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME465813--2730-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4658146436017-2358-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4658155283496-2509-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME465816--3140-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME465817--2160-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME465818--2653-
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME46581914900-6550-
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME46582086554-1525-
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4658219547069-1544-
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4658223300276-5570-
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME465823--5564-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME46582416219824-2300-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME4658255289133-2424-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME465826--3000-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME465827--2565-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME465828--2380-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME4658299546749-2522-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME465830--3185-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME465831--2644-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME465832--2858-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME465833--3711-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME4658349547087-3000-
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME465835497299-1606-
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4658369547068-1626-
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME465837--5794.3-
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME4658389547101-5800-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME465840134595C054853935-
21-hydroxypregnenolone monosulfate (1)-ME465841174681-4624-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME465839677C040391050-
2-acetamidophenol sulfate2-Acetamidophenol sulfateME465842181671-2251-
2-aminobutyrate2-Aminobutyric acidME465843439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME465844227939-3160-
2-aminooctanoate2-Aminocaprylic acidME46584569522-750-
2-aminophenol sulfate2-Aminophenyl sulfateME465846181670-1677-
2-arachidonoylglycerol (20:4)MG 20:4ME4658475282280C138566170-
2'-deoxyuridineDeoxyuridineME46584813712C005261586-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME465849164623-1800-
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME465850--1674-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME465851--1258-
2-hydroxydecanoate2-Hydroxycapric acidME46585221488-4840-
2-hydroxyglutarate2-Hydroxyglutaric acidME46585343C02630958-
2-hydroxyhippurate (salicylurate)Salicyluric acidME46585410253C075882184-
2-hydroxyibuprofen2-HydroxyibuprofenME465855--3462-
2-hydroxylaurate2-Hydroxylauric acidME46585697783-5211-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME46585794180-3736.8-
2-hydroxypalmitate2-Hydroxypalmitic acidME46585892836-5511.2-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME46585911970C05852858.6-
2-hydroxystearate2-Hydroxystearic acidME46586069417C030455695-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME465861161227-1900-
2-linoleoylglycerol (18:2)MG 18:2ME4658625365676-6250-
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME465863--1633-
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME465864--1949-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME4658656426901-3035-
2-methylbutyrylglycine2-MethylbutyrylglycineME465866193872-2000-
2-methylcitrate/homocitrateHomocitric acidME465867--575-
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME46586853481628-2440-
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4658695319879-6500-
2'-O-methylcytidine2'-O-MethylcytidineME465870150971-2411-
2-oxindole-3-acetate2-Oxindole-3-acetateME4658713080590-2378-
2-oxoarginine*2-OxoarginineME465872558C037711760-
2-palmitoleoyl-GPC (16:1)*LPC 0:0/16:1ME465873--1425-
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME46587415061532-1505-
2-piperidinone2-PiperidinoneME46587512665-1675-
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME465876--6350-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME46587791C114571980-
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME465878187488-1294-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4658799378C036721379-
3,4-methyleneheptanoate-ME465882--3807-
3,4-methyleneheptanoylcarnitine-ME465883--4096-
3,7-dimethylurate3,7-Dimethyluric acidME46588483126C163601418.2-
3-acetylphenol sulfate3-Acetylphenol sulfateME465885--2477-
3-aminoisobutyrate3-Aminoisobutanoic acidME46588664956C051452215-
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME4658873081084C173355275-
3beta-hydroxy-5-cholestenoateCholestenoic acidME465888--5398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME46588992997-5205-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME465890123979-2840-
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME4658805233914-2420-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME465891188979-975-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME4658921662C037612700-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME465893441C010891443.3-
3-hydroxybutyrylcarnitine (1)CAR 4:0;3OHME46589453481617-2400-
3-hydroxybutyrylcarnitine (2)CAR 4:0;3OHME465895--2340-
3-hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME465896183115-1745-
3-hydroxydecanoate3-Hydroxydecanoic acidME46589726612-4634.7-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME465898151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME465899450268-1687-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME46590087C060011619-
3-hydroxylaurate3-Hydroxydodecanoic acidME46590194216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME46590226613-3446-
3-hydroxyprolinecis-3-HydroxyprolineME465903559314C051471243-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME465904--1595.5-
3-hydroxysebacate3-Hydroxysebacic acidME4659053017884-1282-
3-hydroxystearate3-Hydroxystearic acidME4659065282907-5674-
3-indoxyl sulfateIndoxyl sulfateME46590710258-2222.2-
3-methoxycatechol sulfate (1)-ME465908--2163-
3-methoxycatechol sulfate (2)-ME465909--2200-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME465910--1722-
3-methoxytyrosine3-MethoxytyrosineME4659111670-2555-
3-methyl-2-oxobutyrateKetoisovaleric acidME46591349C001411465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME46591447C006712064.2-
3-methyl catechol sulfate (1)-ME465912--2790-
3-methylcytidine3-MethylcytidineME465915159649-2176-
3-methylglutaconate3E-Methylglutaconic acidME4659161551553-2579.6-
3-methylglutarate/2-methylglutarateMethylglutaric acidME465917--2832-
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME465918128145-2675-
3-methylhistidine3-MethylhistidineME46591964969C01152906.3-
3-methylurate*3-Methyluric acidME46592011804-1024-
3-methylxanthine3-MethylxanthineME46592170639C163571700-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME46588183967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME465922107C056292860-
3-phosphoglycerate3-Phosphoglyceric acidME465923724C00597590-
3-ureidopropionateUreidopropionic acidME465924111C02642875-
4-acetamidobutanoate4-Acetamidobutanoic acidME46592518189C029461350-
4-acetamidophenolAcetaminophenME4659261983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME46592783944-1400-
4-acetaminophen sulfateParacetamol sulfateME46592883939C068041792-
4-acetylphenol sulfate4-Acetylphenyl sulfateME4659294684006-2375-
4-allylphenol sulfate4-Allylphenol sulfateME465930--3805-
4-cholesten-3-oneCholestenoneME46593191477C005992520-
4-ethylphenylsulfate4-EthylphenolME465932-C136373580-
4-guanidinobutanoate4-Guanidinobutanoic acidME465933500C010352320-
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME465934599C011273073-
4-hydroxychlorothalonil4-HydroxychlorothalonilME46593534217-4427-
4-hydroxycoumarin4-HydroxycoumarinME46593654682930C204142470-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME465937439902C030791141-
4-hydroxyhippurate4-Hydroxyhippuric acidME465938151012-1475-
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME465939--1650-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME465940979C011791690.1-
4-imidazoleacetateImidazoleacetic acidME46594196215C028352055-
4-methyl-2-oxopentanoateKetoleucineME46594270C002332170-
4-methylcatechol sulfate-ME465943--2665-
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME465944--3354-
4-vinylphenol sulfate4-HydroxystyreneME4659456426766C056273320-
5,6-dihydrothymineDihydrothymineME46594793556C009061637.8-
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME46594888299C163661710-
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME465949108214C163651424-
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME465951--5208-
5alpha-androstan-3alpha, 17beta-diol 17-glucosidur...-ME465950--4930-
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME465952--4275-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME465953--4925-
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME465954--5080-
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME465955--4215-
5alpha-androstan-3beta,17beta-diol disulfate-ME465956242332C125253880-
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME465957--4685-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...-ME4659585127902-4310-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME465959--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME465960--5060-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME465961--5180-
5-bromotryptophan5-Bromo-tryptophanME46596296735-3525-
5-dodecenoate (12:1n7)5-Dodecenoic acidME4659635312378-5224-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME465946--2755-
5-hydroxyhexanoate5-Hydroxycaproic acidME465964170748-1267-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME4659651826C056351510.2-
5-hydroxylysine5-HydroxylysineME4659661029C167412790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME465967439176C001702752-
5-methyluridine (ribothymidine)RibothymidineME465968445408-1778.1-
5-oxoprolinePyroglutamic acidME4659697405C01879738.5-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME465970--2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4659713014237-964.5-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME4659723081085C173375288.1-
7-hydroxyindole sulfate-ME465973--1765-
7-ketolithocholate7-Ketolithocholic acidME465974444262-5082-
7-methylguanine7-MethylguanineME46597511361C022422175-
7-methylurate7-Methyluric acidME46597669160-1138-
7-methylxanthine7-MethylxanthineME46597768374C163531350-
9,10-DiHOME9,10-DiHOMEME4659789966640C148285180-
9-hydroxystearate9-Hydroxy stearic acidME4659799570127-5384-
acesulfameAcesulfameME465980--1581-
acetoacetateAcetoacetic acidME46598196C001641062-
acetylcarnitine (C2)CAR 2:0ME4659821C025712282-
acisogaAcisogaME465983129397-2297-
aconitate [cis or trans]cis-Aconitic acidME465984-C00417580-
adenineAdenineME465985190C001472221-
adenosineAdenosineME46598660961C002122075.4-
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME4659876076C005751952.2-
adenosine 5'-monophosphate (AMP)AMPME4660036083C000201013-
adipateAdipic acidME465988196C061043000-
adipoylcarnitine (C6-DC)CAR DC5:0ME465989--2558-
adrenate (22:4n6)Adrenic acidME4659905497181C165275678-
adrenoylcarnitine (C22:4)*CAR 22:4ME465991--1415-
alanineAlanineME4659925950C000411700-
allantoinAllantoinME465993204C023501672-
alliinAlliinME46599487310C082651470-
alpha-CEHCalpha-CEHCME4659959943542-4045-
alpha-CEHC glucuronide*-ME465996--2616-
alpha-CEHC sulfatealpha-CEHC sulfateME465997--3090-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME46599883697C032641840-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME46599999823-1126-
alpha-ketobutyrate3-Methyl pyruvic acidME46600058C00109940-
alpha-ketoglutarate2-Oxoglutaric acidME46600151C000262700-
alpha-tocopherolalpha-TocopherolME46600214985C024772522-
androstenediol (3alpha, 17alpha) monsulfate (2)-ME466005--4712-
androstenediol (3alpha, 17alpha) monsulfate (3)-ME466006--5180-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME46600710634C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME46600810634C042954065-
androstenediol (3beta,17beta) monosulfate (1)-ME466009--4500-
androstenediol (3beta,17beta) monosulfate (2)-ME466010--4500-
andro steroid monosulfate (1)*5alpha-Androstane-3alpha-ol-17-one sulfateME466004-C045553871-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME466011159663-5022-
arabitol/xylitolArabitolME466012--1932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME466013--2664.6-
arachidate (20:0)Arachidic acidME46601410467C064256295-
arachidonate (20:4n6)Arachidonic acidME466015444899C002195535-
arachidonoylcarnitine (C20:4)CAR 20:4ME466017--1353-
arachidonoylcholineArachidonoylcholineME466018--1390-
arachidonoyl ethanolamideArachidonoyl-EAME4660165281969C116951535-
arachidoylcarnitine (C20)*CAR 20:0ME466019--1512-
argininate*Argininic acidME466020160437-2150-
arginineArginineME466021232C000622825-
asparagineAsparagineME4660226267C001521225-
aspartateAspartic acidME4660235960C000491165-
azelate (nonanedioate)Azelaic acidME4660242266C082611276-
behenoylcarnitine (C22)*CAR 22:0ME466027--1561-
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME466025--3150-
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME466026--3083-
benzoateBenzoic acidME466028243C001801750-
beta-alaninebeta-AlanineME466029239C000991905-
beta-citrylglutamateBeta-Citryl-glutamic acidME466030--530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME46603169362-1027-
betaineBetaineME466032247C007191064-
beta-sitosterolSitosterolME466033222284C017533054-
betonicineBetonicineME466034164642C082691012-
bilirubin (E,E)*BilirubinME4660365315454-4294-
bilirubin (E,Z or Z,E)*BilirubinME4660375799469-1270-
bilirubin (Z,Z)BilirubinME4660355280352C004861840-
biliverdinBiliverdinME4660385353439C005001016-
butyrylcarnitine (C4)CAR 4:0ME466039439829C028622860-
caffeic acid sulfate-ME466040--1307-
caffeineCaffeineME4660412519C074812106-
campesterolCampesterolME466042173183C017892873-
caprate (10:0)Capric acidME4660432969C015715090.7-
caproate (6:0)Caproic acidME4660448892C015852713.7-
caprylate (8:0)Caprylic acidME466045379C064234362-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4660462572-2085-
carboxyibuprofenCarboxyibuprofenME46604710444113-810-
carnitineCarnitineME46604810917C003181978-
catechol sulfateCatechol sulfateME4660493083879C000901906-
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME466050--3850-
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME466051--2477-
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME466052--3055-
cerotoylcarnitine (C26)*CAR 26:0ME466053--1649-
CetirizineCetirizineME4660542678C07778,D076621052-
C-glycosyltryptophanC-GlycosyltryptophanME46605510981970-2685-
chenodeoxycholateChenodeoxycholic acidME46605610133C025285264-
chiro-inositol1D-chiro-InositolME466057-C198913191.2-
cholateCholic acidME466058221493C006955165-
cholesterolCholesterolME46605911025495C001872707-
cholineCholineME466060305C001141961-
choline phosphateCholine phosphateME4664101014C00588700-
cinnamoylglycineCinnamoylglycineME466061709625-3127-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME466062--1057-
citrateCitric acidME466063311C00158582-
citrullineCitrullineME4660649750C003271520-
corticosteroneCorticosteroneME4660655753C021405040-
cortisolCortisolME4660665754C007354713.2-
cortisoneCortisoneME466067222786C007624572.5-
cotinineCotinineME466068854019-2213-
cotinine N-oxideCotinine N-oxideME4660699815514-1377-
creatineCreatineME466070586C003001947-
creatinineCreatinineME466071588C007912055-
cys-gly, oxidizedCYS-GLY, oxidizedME466072333293-2947-
cystathionineCystathionineME466073439258C022912270-
cysteineCysteineME4660745862C000971488-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME4660764247235-2465-
cysteine s-sulfateCysteine-S-sulfateME466075115015C058242273-
cysteinylglycineCys-GlyME466077439498C014192132-
cystineCystineME46607867678C004912000-
cytidineCytidineME4660796175C004751325-
cytosineCytosineME466080597C003802060-
daidzein sulfate (1)-ME466081--2843-
daidzein sulfate (2)-ME466082--3330-
decanoylcarnitine (C10)CAR 10:0ME46608310245190-1130-
dehydroisoandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME46608412594C045554745-
delta-tocopheroldelta-TocopherolME46608592094C141512259-
deoxycarnitine3-DehydroxycarnitineME466086134C011812052-
deoxycholateDeoxycholic acidME466087222528C044835294-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME466088--2733-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4660896439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4660905280581C032425596-
dihomo-linolenoylcarnitine (20:3n3 or 6)*CAR 20:3ME466091--1392-
dihomo-linolenoyl-choline-ME466092--1424-
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME466093--1436-
dihydroferulic acidDihydroferulic acidME46609414340-1928-
dihydroorotate4,5-Dihydroorotic acidME466095648C003371910-
dimethylarginine (SDMA + ADMA)DimethylarginineME466097123831C036262850-
dimethylglycineDimethylglycineME466098673C010261104-
dimethyl sulfoneDimethyl sulfoneME4660966213C11142832-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4660995282807C165336034-
docosadioateDocosanedioic acidME466100244872-5291.8-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME466101445580C064295525-
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME466102--1349-
docosahexaenoylcholine-ME466103--1378-
docosapentaenoate (n3 DPA; 22:5n3)DPAME4661046441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME4661056441454C165135624.5-
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME466106--1387-
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME4661075312556C165345823-
docosatrienoate (22:3n6)*Docosatrienoic acidME466108--5850-
dodecanedioateDodecanedioic acidME46610912736C026782990-
dopamine 3-O-sulfateDopamine 3-O-sulfateME466110122136C136901556.2-
dopamine 4-sulfateDopamine 4-sulfateME466111123932C136911511-
DSGEGDFXAEGGGVR*-ME466112--2535-
ectoineEctoineME466113126041C062311980-
EDTAEdetic acidME4661146049C00284643-
eicosanodioateEicosanedioic acidME46611575502-5200.9-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME466116446284C064285450-
eicosenoate (20:1)cis-Gondoic acidME4661175282768-5950-
eicosenoylcarnitine (C20:1)*CAR 20:1ME466118--1484-
epiandrosterone sulfateEpiandrosteroneME466119-C076354855-
ergothioneineErgothioneineME4661203032311C05570850-
erucate (22:1n9)cis-Erucic acidME4661215281116C083166355.6-
erucoylcarnitine (C22:1)*CAR 22:1ME466122--1535-
erythritolErythritolME466123222285C005031491-
erythronate*Erythronic acidME4661242781043-2186-
escitalopramEscitalopramME466125146570-908-
estrone 3-sulfateEstrone 3-sulfateME4661263001028C025384417.3-
ethyl glucuronideEthyl glucuronideME466127152226-793-
ethylmalonateEthylmalonic acidME46612811756-2785-
etiocholanolone glucuronideAndrosterone 3-glucuronideME466129--4915-
eugenol sulfateEugenol sulfateME466130180632-3782-
ferulic acid 4-sulfateFerulic acid 4-sulfateME4661326305574-1225-
flavin adenine dinucleotide (FAD)FADME466131643975C000162425-
fructoseFructoseME4661335984C000952022.2-
fumarateFumaric acidME466134444972C001223084-
gabapentinGabapentinME466135-D003323123-
galactitol (dulcitol)GalactitolME46613611850C016972309.7-
galactonateGalactonic acidME466137128869C008803085-
gamma-carboxyglutamategamma-Carboxy-glutamic acidME46613840772-903-
gamma-CEHCgamma-CEHCME466139133098-3843-
gamma-CEHC glucuronide*-ME466140--2500-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME466141--2380-
gamma-glutamylalaninegamma-GlutamylalanineME466142440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME46614365254-2784-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME466144--2717-
gamma-glutamylglutamategamma-Glutamylglutamic acidME46614592865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME466146150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME466147165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME4661487017195-2740-
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME46614914253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME466150151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME4661517009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME466152111299-1825-
gamma-glutamylthreoninegamma-GlutamylthreonineME466153--1750-
gamma-glutamyltryptophangamma-GlutamyltryptophanME4661543989307-2975-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME46615594340-1240-
gamma-glutamylvalinegamma-GlutamylvalineME4661567015683-2700-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME466157--2384-
gentisateGentisic acidME4661583469C00628905-
gluconateGluconic acidME46615910690C002572922-
glucoseGlucoseME46616079025C000312342-
glucuronateGlucuronic acidME466161444791C001913233.3-
glutamateGlutamic acidME466162611C000251500-
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME46616368662-2170-
glutamineGlutamineME4661645961C000641291-
glutarate (pentanedioate)Glutaric acidME466165743C004892900-
glutarylcarnitine (C5-DC)CAR DC5:0ME46616671464488-2393-
glycerateGlyceric acidME466167752C002582070.4-
glycerolGlycerolME466168753C00116758-
glycerol 3-phosphatesn-Glycero-3-phosphateME466169754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME466170123874C01233659-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME466171439964C032742430-
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME466172--3850-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME46617371920C00670672-
glycineGlycineME466174750C000371375-
glycochenodeoxycholateGlycochenodeoxycholic acidME46617512544C054665236.1-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME466176--4806-
glycochenodeoxycholate sulfate-ME466177--4820-
glycocholateGlycocholic acidME46617810140C019215163-
glycocholenate sulfate*Glycocholenate sulfateME466179--4750-
glycodeoxycholateGlycodeoxycholic acidME4661803035026C054645281-
glycodeoxycholate sulfateGlycodeoxycholate sulfateME466181--4875-
glycohyocholateGlycohyocholic acidME466182--5020-
glycolithocholateGlycolithocholic acidME466183115245C155575357.1-
glycolithocholate sulfate*Sulfoglycolithocholic acidME46618472222C113015011-
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*HexCer 40:2;O2ME466185--3373-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME466186--3414-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*HexCer 41:2;O2ME466187--3667-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME466188--3380-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME466189--3420-
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*HexCer 18:1;O2/24:1ME466190--3990-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME466191--2623-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME466192--3053-
glycoursodeoxycholateGlycoursodeoxycholic acidME46619312310288-5033-
guanidinoacetateGuanidoacetic acidME466194763C005811937-
guanosineGuanosineME4661956802C003871662-
gulonate*Gulonic acidME4661969794176-2750-
hemeHemeME46619726945C000321124-
hexadecanedioateHexadecanedioic acidME46619810459C196154615-
hexanoylcarnitine (C6)CAR 6:0ME4661996426853-3308-
hexanoylglutamineHexanoylglutamineME466200--2780-
hexanoylglycineHexanoylglycineME46620199463-2900-
hippurateHippuric acidME466202464C015862106.9-
histidineHistidineME4662036274C00135755.9-
homoarginineHomoarginineME4662049085C019242882-
homocitrullineHomocitrullineME46620565072C024271908-
homostachydrine*(S)-HomostachydrineME466206441447C082831750-
hydantoin-5-propionic acidHydantoin-5-propionic acidME466207782C055652080-
hydroquinone sulfateQuinol sulfateME466208161220C005301395-
hydroxycotininetrans-3-HydroxycotinineME46620910219774-2030-
hyocholateHyocholic acidME46621192805C176495046-
hypotaurineHypotaurineME466212107812C00519724-
hypoxanthineHypoxanthineME466213790C002621291.2-
ibuprofenIbuprofenME4662143672D001264925-
imidazole lactateImidazolelactic acidME466215440129C055682040-
imidazole propionateImidazole propanoateME46621670630-2263-
iminodiacetate (IDA)IminodiacetateME4662178897C19911808-
indole-3-carboxylic acidIndole-3-carboxylic acidME46621869867C198371708.8-
indoleacetateIndoleacetic acidME466219802C009542850-
indoleacetylglutamineIndoleacetyl glutamineME46622025200879-2185-
indolelactateIndolelactic acidME46622192904C020432600-
indolepropionate3-Indolepropionic acidME4662223744-3205-
indolin-2-oneIndolin-2-oneME466223321710C123122575-
inosineInosineME4662246021C002941602.1-
inosine 5'-monophosphate (IMP)IMPME4662258582C00130650-
isobutyrylcarnitine (C4)CAR 3:0;2MeME466226168379-2810-
isobutyrylglycineIsobutyrylglycineME46622710855600-1420-
isoeugenol sulfate-ME466228--3893-
isoleucineIsoleucineME4662296306C004072800-
isoleucylglycineIle-GlyME466230342532-1992-
isovalerateIsovaleric acidME46623110430C082621564-
isovalerylcarnitine (C5)CAR 4:0;3MeME4662326426851-3085-
isovalerylglycineIsovalerylglycineME466233546304-1950-
kynurenateKynurenic acidME4662343845C017172224-
kynurenineKynurenineME466235161166C003282739-
lactateLactic acidME466236612C00186681.6-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME466237--3778-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME466238--2527-
lanthionineLanthionineME466239--1730-
laurate (12:0)Lauric acidME4662403893C026795300-
laurylcarnitine (C12)CAR 12:0ME46624110427569-1235-
leucineLeucineME4662426106C001232864-
leucylglycineLeu-GlyME46624379070-2778-
lignoceroylcarnitine (C24)*CAR 24:0ME466245--1603-
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME466244--3437-
linoleamide (18:2n6)LinoleamideME4662466435901-6205-
linoleate (18:2n6)Linoleic acidME4662475280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME4662485280934C064265450-
linolenoylcarnitine (C18:3)*CAR 18:3ME466249--1310-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME466251--2566-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME466252--2624-
linoleoylcarnitine (C18:2)*CAR 18:2ME4662536450015-1430-
linoleoylcholine*alpha-LinoleoylcholineME466254--1388-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...DG 18:2_22:6ME466255--2417-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...DG 18:2_22:6ME466256--2468-
linoleoyl ethanolamideLinoleoyl-EAME4662505283446-6150-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME466257--2426-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME466258--2478-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME466259--2689-
L-urobilinL-UrobilinME4662605280818C05793901-
lysineLysineME4662615962C000472850-
malateMalic acidME466262525C00149615.6-
maleateMaleic acidME466263444266C013842510-
malonylcarnitineCAR DC3:0ME46626422833583-2086-
maltoseMaltoseME46626510991489C002083329.4-
maltotetraoseMaltotetraoseME466266446495C02052910-
maltotrioseMaltotrioseME466267439586C01835812-
mannitol/sorbitolSorbitolME4662685780C015072260-
mannoseMannoseME46626918950C001592200-
margarate (17:0)Margaric acidME46627010465-5731-
margaroylcarnitine*CAR 17:0ME466271--1424-
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME4662725312531-5650-
methionineMethionineME4662736137C000732526-
methionine sulfoneMethionine sulfoneME46627469961-1250-
methionine sulfoxideMethionine sulfoxideME466275158980C029891272-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME466278--2873-
methyl glucopyranoside (alpha + beta)Methyl glucoseME466276--1070-
methyl indole-3-acetateIndole-3-methyl acetateME46627774706-3339-
methylmalonate (MMA)Methylmalonic acidME466279487C021703078.4-
methylsuccinateMethylsuccinic acidME46628110349-2800-
myo-inositolMyo-inositolME466282892C001373506.3-
myristate (14:0)Myristic acidME46628311005C064245440-
myristoleate (14:1n5)Myristoleic acidME4662845281119C083225346.9-
myristoleoylcarnitine (C14:1)*CAR 14:1ME466285--1316-
myristoylcarnitine (C14)CAR 14:0ME46628753477791-1350-
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME466286--2060-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME46629169698C058421250-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME466292440810C058431260-
N1-methyladenosine1-MethyladenosineME46579327476C024942120-
N1-methylinosine1-MethylinosineME46629365095-1430-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME466290132680C034133105-
N-(2-furoyl)glycine2-FuroylglycineME46628821863-1525.8-
N2-methylguanosine2-MethylguanosineME4662963035422-1988-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME46629492919-2210-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME46629510398396-1310-
N4-acetylcytidineN4-AcetylcytidineME466297107461-2040-
N(4)-acetylspermidine-ME466289128317-3095-
N6-acetyllysineN6-AcetyllysineME46629992832C027271059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME466300161466-2164-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME466301--2500-
N6-methyladenosineN6-MethyladenosineME466302102175-2264-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME466298440120C037932825-
N6-succinyladenosineSuccinyladenosineME466303--980-
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME466304--2100-
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME466305193270-2056-
N-acetylalanineN-AcetylalanineME46630688064C02847861.2-
N-acetylalliinN-AcetylalliinME466307--1348-
N-acetylarginineN-AcetylarginineME46630867427C025622245-
N-acetylaspartate (NAA)N-Acetylaspartic acidME46630965065C01042620.5-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME4663105255C122701035-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME46631176406C01073773-
N-acetyl-cadaverineN-AcetylcadaverineME466312--2385-
N-acetylcarnosineN-AcetylcarnosineME4663139903482-1235-
N-acetylcitrullineN-AcetylcitrullineME466314656979C15532940-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME466315--715-
N-acetylglucosaminylasparagineAspartylglycosamineME466316123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME46631770914C006241050-
N-acetylglutamineN-AcetylglutamineME466318182230C027162140-
N-acetylglycineN-AcetylglycineME46631910972-826-
N-acetylhistidineN-AcetylhistidineME46632075619C029972065-
N-acetylisoleucineN-AcetylisoleucineME4663212802421-2325-
N-acetylkynurenine (2)N-AcetylkynurenineME466322--2364-
N-acetylleucineN-AcetylleucineME46632370912C027102400-
N-acetylmethionineN-AcetylmethionineME466324448580C027121787-
N-acetylneuraminateN-Acetylneuraminic acidME466325439197C00270660-
N-acetylphenylalanineN-AcetylphenylalanineME46632674839C035192597-
N-acetylputrescineN-AcetylputrescineME466327122356C027142230-
N-acetyl-S-allyl-L-cysteine-ME466328152467-2237-
N-acetylserineN-AcetylserineME46632965249-2000-
N-acetyltaurineN-AcetyltaurineME466330159864-800-
N-acetylthreonineN-AcetylthreonineME466331152204-821.6-
N-acetyltryptophanN-Acetyl-tryptophanME466332700653C031372630-
N-acetyltyrosineN-AcetyltyrosineME46633368310-1680-
N-acetylvalineN-AcetylvalineME46633466789-1704-
N-alpha-acetylornithineN-AcetylornithineME466335439232C004372000-
naproxenNaproxenME466336156391C015174155-
N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)*-ME466337--3920-
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME466338--3911-
N-delta-acetylornithineN(5)-Acetyl-ornithineME4663399920500-858-
nervonoylcarnitine (C24:1)*CAR 24:1ME466340--1602-
N-formylmethionineN-FormylmethionineME466341439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME466342759256-2360-
nicotinamideNiacinamideME466343936C001531942-
N-linoleoylglycineN-linoleoylglycineME4663446433346-5510-
N-methylpipecolateN-methyl pipecolic acidME466345--1932-
N-methylprolineN-Methyl-prolineME466346557-1335-
N-methyltaurineN-MethyltaurineME466347--1576-
N-monomethylarginineTarginineME466348132862C038842845-
N-nervonoyl-sphingadiene (d18:2/24:1)*Cer 18:2;O2/24:1ME466349--3858-
N-oleoyltaurineN-Oleoyl taurineME4663506437033-5610-
nonadecanoate (19:0)Nonadecylic acidME46635112591C165356068-
N-palmitoylglycineN-Palmitoyl glycineME466352151008-5580-
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4663535283572-3090-
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4663545283564-2893-
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4663555283565-3392-
N-stearoyltaurineN-Stearoyl taurineME466356168274-5782-
O-acetylhomoserineO-Acetyl-homoserineME466357439389C010771850-
o-cresol sulfateo-Cresol sulfateME46635811615528-2796-
octadecanedioateOctadecanedioic acidME46635970095-5043-
octanoylcarnitine (C8)CAR 8:0ME466360123701C02838950-
oleamideOleamideME4663615283387C196706581-
oleate/vaccenate (18:1)Oleic acidME466362--5655-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME466364--2907-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME466365--2990-
oleoylcarnitine (C18:1)CAR 18:1ME466366--1423-
oleoylcholineOleoylcholineME466367--1449-
oleoyl ethanolamideOleoyl-EAME4663635283454-6450-
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME466368--2819-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME466369--3115-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME466370--3223-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME466371--3571-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME466372--3695-
O-methylcatechol sulfate-ME46637322473-2344-
ornithineOrnithineME4663746262C000772800-
orotateOrotic acidME466375967C002951638.1-
orotidineOrotidineME46637692751C011032250-
O-sulfo-L-tyrosineSulfotyrosineME466377514186-990-
oxalate (ethanedioate)Oxalic acidME466378971C00209603-
palmitate (16:0)Palmitic acidME466379985C002495618-
palmitic amidePalmitamideME46638069421-6690-
palmitoleate (16:1n7)Palmitoleic acidME466381445638C083625475-
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...DG 16:1_20:4ME466382--2528-
palmitoleoylcarnitine (C16:1)*CAR 16:1ME466383--1357-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME466384--2664-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME466388--2916-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*DG 16:0_20:4ME466389--3015-
palmitoylcarnitine (C16)CAR 16:0ME466390461C029901425-
palmitoylcholinePalmitoylcholineME466391151731-1482-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4663859939965-2290-
palmitoyl ethanolamidePalmitoyl-EAME4663864671C165126300-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4663929543695-3080-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME466393--3197-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME466394--3695-
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4663879939941-2168-
pantothenatePantothenic acidME4663956613C008641498.7-
paraxanthineParaxanthineME4663964687C137472279-
p-cresol-glucuronide*P-Cresol glucuronideME466398154035-2420-
p-cresol sulfatep-Cresol sulfateME4663974615423C014682890-
pentadecanoate (15:0)Pentadecylic acidME46639913849C165375521-
perfluorooctanesulfonic acid (PFOS)Perfluorooctanesulfonic acidME46640074483C18142662-
phenol sulfatePhenyl hydrogen sulfateME46640174426C021802156-
phenylacetatePhenyl acetateME466402999C070862150-
phenylacetylcarnitine-ME466403--3092-
phenylacetylglutamateN-Phenylacetylglutamic acidME46640411579826-2357-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME46640592258C041482145-
phenylalaninePhenylalanineME4664066140C000792878-
phenyllactate (PLA)Phenyllactic acidME4664073848C056072208-
phenylpyruvatePhenylpyruvic acidME466408997C001662517.6-
phosphatePhosphoric acidME4664091061C00009576-
phosphoethanolaminePhosphoethanolamineME4664111015C00346700-
phytanatePhytanic acidME46641226840C016075908-
picolinatePicolinic acidME4664131018C10164910-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME466414--2773-
pipecolatePipecolic acidME466415849C004082200-
piperinePiperineME466416638024C038821168-
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME466418123796-5145-
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME466419--5160-
pregnen-diol disulfate*-ME466420--3868-
pregnenolone sulfatePregnenolone sulfateME466421105074-5100-
pregn steroid monosulfate*Pregnenolone sulfateME466417--5000-
pristanatePristanic acidME466422123929-5773-
pro-hydroxy-proPro-hydroxyProME46642511673055-2128-
prolineProlineME466423145742C001481603-
prolylglycinePro-GlyME466424--2136-
propionylcarnitine (C3)CAR 3:0ME466426107738C030172590-
propionylglycinePropionylglycineME46642798681-960-
propyl 4-hydroxybenzoate sulfate-ME466428--3971-
pseudouridinePseudouridineME46642915047C020671100-
pyridoxalPyridoxalME4664301050C002502343-
pyridoxate4-Pyridoxic acidME4664316723C008472185-
pyroglutamine*PyroglutamineME466432134508-1900-
pyrralinePyrralineME466433--2304-
pyruvatePyruvic acidME4664341060C00022732.4-
quetiapineQuetiapineME4664355002C07397,C00458874-
quinateQuinic acidME4664366508C002962432.9-
quinineQuinineME4664372728270-3378-
quinolinateQuinolinic acidME4664381066C03722845-
retinalRetinalME466439638015C003761666-
retinol (Vitamin A)RetinolME466440445354C004731636-
ribitolRibitolME4664416912C004741789.6-
ribonateRibonic acidME4664425460677C016852425-
riboseRiboseME4664435779C001211508.2-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME4664441196C043221528-
saccharinSaccharinME4664455143D010851999.7-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME466446439155C000211832.4-
salicylateSalicylic acidME466447338C008052195-
salicyluric glucuronide*Salicyluric glucuronideME466448--1463-
S-allylcysteineS-AllylcysteineME46644998280-2690-
sarcosineSarcosineME4664501088C002131280-
sebacate (decanedioate)Sebacic acidME4664515192C082771788-
serineSerineME4664525951C000651239-
serotoninSerotoninME4664535202C007802550-
S-methylcysteineMethylcysteineME46645424417-880-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME46645582142-900-
S-methylmethionineS-MethylmethionineME466456458C053192584-
spermidineSpermidineME4664571102C003153355-
sphinganineSphinganineME4664583126C008361413-
sphinganine-1-phosphateSphinganine 1-phosphateME466459520-1431-
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME466461--1837-
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME466462--2362-
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME466463--2600-
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME46646411433862-1998-
sphingomyelin (d18:1/15:0, d16:1/17:0)*SM 33:1;O2ME466465--2082-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME466466--2312-
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME4664676443882-2167-
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME466468--2330-
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME466469--2685-
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME466470--2383-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...SM 18:1;O2/20:2ME466471--2039-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME466472--2793-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME466473--2666-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME466474--2209-
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME466475--3033-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME466476--3220-
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME466477--1860-
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME466478--2002-
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME466479--1904-
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME466480--2330-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME466481--2845-
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME466482--2315-
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME466483--2635-
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME466484--2215-
sphingosineSphingosineME4664855353955C003191393-
sphingosine 1-phosphateSphingosine 1-phosphateME4664865283560C061241375-
stachydrineStachydrineME466487115244C101721440-
stearate (18:0)Stearic acidME4664885281C015305872-
stearidonate (18:4n3)Stearidonic acidME4664895312508C163005395-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME466491--3404-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME466492--3522-
stearoylcarnitine (C18)CAR 18:0ME4664936426855-1485-
stearoylcholine*StearoylcholineME466494--1520-
stearoyl ethanolamideStearoyl-EAME46649027902-1787-
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*DG 18:0_18:2ME466495--3762-
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME4664606453725C005502400-
suberate (octanedioate)Suberic acidME46649610457C08278804.3-
suberoylcarnitine (C8-DC)CAR DC8:0ME466497--2964-
succinateSuccinic acidME4664981110C00042603-
succinimideSuccinimideME46649911439C072732155-
succinylcarnitine (C4-DC)CAR DC4:0ME466500--2291-
sucraloseSucraloseME46650171485C122853140-
sulfate*SulfateME4665021118C00059616-
tartarateTartaric acidME466503444305C00898615.3-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME46650445C02287610-
taurineTaurineME4665051123C00245690-
tauro-beta-muricholateTauro-beta-muricholic acidME466506168408-4774-
taurochenodeoxycholateTaurochenodeoxycholic acidME466507387316C054655250-
taurocholateTaurocholic acidME4665086675C051225150-
taurocholenate sulfateTaurocholenate sulfateME466509--4750-
taurodeoxycholateTaurodeoxycholic acidME4665102733768C054635257.4-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME466511440071C036425026.7-
testosterone sulfateTestosterone sulfateME466512119207C005354600-
tetradecanedioateTetradecanedioic acidME46651313185-4000-
theanineN(5)-Ethyl-glutamineME466514439378C010472180-
theobromineTheobromineME4665155429C074801600-
theophyllineTheophyllineME4665162153C071301870-
thioprolineThioprolineME466517--1250-
threonateThreonic acidME466518151152C016202384-
threonineThreonineME4665196288C001881514-
thymol sulfate-ME466520-C099084410-
thyroxineThyroxineME4665215819C018294808-
tigloylglycineTiglylglycineME4665226441567-1886-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME46652322833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4662105810C011571064-
trans-urocanateUrocanic acidME466524736715C007852285-
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME466525--3200-
trigonelline (N'-methylnicotinate)TrigonellineME4665265570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME4665271145C011042100-
tryptophanTryptophanME4665286305C000782986-
tryptophan betaineLenticinME466529442106C092132673-
tyramine O-sulfateTyramine-O-sulfateME466530153005-1565-
tyrosineTyrosineME4665316057C000822430-
umbelliferone sulfateUmbelliferone sulfateME466532129659-2442.8-
uracilUracilME4665331174C001061089.7-
urateUric acidME4665341175C00366757.1-
ureaUreaME4665351176C00086700-
uridineUridineME4665366029C002991457.6-
ursodeoxycholateUrsodeoxycholic acidME46653731401C078805055-
ursodeoxycholate sulfate (1)-ME466538--4328-
valerateValeric acidME4665397991C008031718-
valineValineME4665406287C001832479-
valylglutamineVal-GlnME4665415253209-2295-
valylglycineVal-GlyME466542136487-1506-
valylleucineVal-LeuME466543352039-3138-
vanillactateVanillactic acidME466544160637-1625-
vanillylmandelate (VMA)Vanillylmandelic acidME4665451245C05584941-
xanthineXanthineME4665461188C003852023-
xanthosineXanthosineME46654764959C017621075-
xanthurenateXanthurenic acidME4665485699C024702236-
ximenoylcarnitine (C26:1)*CAR 26:1ME466549--1607-


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