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Analysis: HILIC POSITIVE 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 acidME3237625312435-5555267.23295
10-hydroxywarfarin-ME323763--3602325.10705
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME3237645312513-5780295.26425
10-undecenoate (11:1n1)10-Hendecenoic acidME32376514891C139105085.8183.13905
11beta-hydroxyandrosterone glucuronide-ME323766--4209481.2443
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME323668--6250462.29899
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME323669--2154766.57452
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME323670--2270724.52757
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME323671--2226742.57452
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME323672--2351700.52757
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME323673--2443744.59017
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME323674--2600702.54322
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME323675--2218716.55887
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME32367611146967-2454718.57452
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME32367710917802-6450554.34633
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME323678--1558438.2979
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME3236799547058-2511752.55887
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME323680--2633728.55887
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME323681--2950730.57452
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME323682--6500464.31464
12,13-DiHOME12,13-DiHOMEME32376710236635C148295137313.23843
1,2,3-benzenetriol sulfate (2)-ME323660--1709204.98123
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME3236615288075-2006782.56944
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME3236629546812-2083740.52248
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME323663452110-2365734.56944
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME323651151014-5499241.2173
1,3,7-trimethylurate1,3,7-Trimethyluric acidME32366479437C163611985209.06801
1,3-dimethylurate1,3-Dimethyluric acidME32366570346-1671.4195.05236
13-HODE + 9-HODEHODEME32376843013-5275295.22825
14-HDoHE/17-HDoHE-ME323769--5296343.22786
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME32365217903417-5695269.24868
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME32366664960C07326802163.06119
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME323771--4240383.15338
16-hydroxypalmitateJuniperic acidME32377010466C182185236.2271.22786
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME3236533083779-5993297.2799
1,7-dimethylurate1,7-Dimethyluric acidME32366791611C163561578.6195.05236
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME323683-C052086074618.34125
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME32368442607465-1470502.29282
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME323685--5482619.28888
1-arachidonylglycerol (20:4)MG 20:4ME3236865282281C138576250303.23293
1-carboxyethylisoleucine1-CarboxyethylisoleucineME323687--2628202.10848
1-carboxyethylleucine1-CarboxyethylleucineME323688--2663202.10848
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME323689--2844236.09283
1-carboxyethyltyrosine1-CarboxyethyltyrosineME323690--1846252.08774
1-carboxyethylvaline1-CarboxyethylvalineME323691--2008188.09283
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME323692--6400305.24858
1-docosahexaenoylglycerol (22:6)MG 22:6ME323693--6150309.22236
1H-indole-7-acetic acid1H-Indole-7-acetic acidME323772--2862174.05605
1-linolenoylglycerol (18:3)MG 18:3ME32369553480978-6214277.21728
1-linolenoyl-GPC (18:3)*LPC 18:3ME323694--1410518.32412
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME323696--1939780.55378
1-linoleoylglycerol (18:2)MG 18:2ME3237025283469-6477279.23293
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME323697--5483433.23606
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME32369811988421C041001465520.33977
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME32369952925130-1482478.29282
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME323700--5516507.27284
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME323701--5494595.28888
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME32370375810C058282064141.06586
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME3237046451814-1989141.06586
1-methylhistidine1-MethylhistidineME32370592105C011521227168.07785
1-methylnicotinamide1-Methyl nicotinamideME32370610129985C029181940137.07094
1-methylurate1-Methyluric acidME32370769726C163591900181.03671
1-methylxanthine1-MethylxanthineME32370880220C163581568.8165.0418
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME323709--1914754.53813
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME323710129657-2147706.53813
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME323711--2200766.53813
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME323712--2011832.58509
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME323713--2119790.53813
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME3237149546753-2270742.53813
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME3237205283468-6650281.24858
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME32371516081932-1540522.35542
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME3237169547071-1554480.30847
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME323717--5610509.28849
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME323718--5599597.30453
1-oleoyl-GPS (18:1)LPS 18:1/0:0ME3237199547099-1555524.2983
1-palmitoleoylglycerol (16:1)*MG 16:1ME323722--6094253.21727
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME32372124779461-1450494.32412
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME32372310747814-2091782.56944
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME3237249546800-2198740.52248
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME323725--2567876.55966
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...-ME323726--2199784.58509
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME3237276441886-2023806.56944
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME3237289546799-2119764.52248
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME3237295287971-2160758.56944
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME3237309546747-2275716.52248
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME323731--2730852.55966
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME3237326436017-2358760.58509
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME3237335283496-2509718.53813
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME323734--3140854.57531
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME323735--2160732.55378
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME323736--2653762.60074
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*PE 16:0/18:0ME3237375326793-2850720.55378
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME3237386419701C040365600409.23606
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME32373986554-1525496.33977
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME3237409547069-1544454.29282
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME3237413300276-5570483.27284
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME323742--5564571.28888
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME3237435117448C051312006259.09247
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME32374416219824-2300810.60074
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME3237455289133-2424768.55378
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME323746--3000904.59096
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME323747--2565812.54361
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME323748--2197834.60128
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME3237499546798-2317792.55378
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME323750--2380786.60074
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME3237519546749-2522744.55378
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME323752--3185880.59096
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME323753--2644788.61639
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME323754--2858746.56944
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME323755--3711882.60661
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME3237569547087-3000790.55926
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME323757497299-1606524.37107
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME3237589547068-1626482.32412
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME323759--5816511.30414
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME323760--5794599.32018
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME3237619547101-5800524.29939
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME323817134595-3935245.06711
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME323776301941-787133.05063
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME323777--1156177.0227
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME323778677C040391050133.05063
(2,4 or 2,5)-dimethylphenol sulfate-ME323655--3474201.0227
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME3237799338-2575153.01933
2-acetamidophenol sulfate2-Acetamidophenol sulfateME323780181671-2251230.01286
2-aminoadipatealpha-Aminoadipic acidME323781469C009563500160.06153
2-aminobutyrate2-Aminobutyric acidME323782439691C022612059104.07061
2-aminoheptanoate2-Aminoheptanoic acidME323783227939-3160146.11756
2-aminooctanoate2-Aminocaprylic acidME32378469522-3385158.11865
2-aminophenol sulfate2-Aminophenyl sulfateME323785181670-1677188.0023
2-arachidonoylglycerol (20:4)MG 20:4ME3237865282280C138566170303.23293
(2-butoxyethoxy)acetic acid-ME323656106312-3177177.11214
2'-deoxyuridineDeoxyuridineME32377313712C005261586227.0673
2-ethylphenylsulfate-ME323787--3416201.0227
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME323788164623-1800131.07136
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME323789--1065149.02778
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME32379086290013-1674246.00778
2-hydroxyadipate2-Hydroxyadipic acidME323791193530C023603000161.04554
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME323792--1258103.04006
2-hydroxydecanoate2-Hydroxycapric acidME32379321488-4840187.13396
2-hydroxyglutarate2-Hydroxyglutaric acidME32379443C02630958131.03389
2-hydroxyhippurate (salicylurate)Salicyluric acidME32379510253C075882184194.04588
2-hydroxyibuprofen2-HydroxyibuprofenME32379610443535-3462221.11831
2-hydroxylaurate2-Hydroxylauric acidME32379797783-5211215.16526
2-hydroxynervonate*Hydroxynervonic acidME3237985312783-6345381.33742
2-hydroxyoctanoate2-Hydroxyoctanoic acidME32379994180-3736.8159.10266
2-hydroxypalmitate2-Hydroxypalmitic acidME32380092836-5511.2271.22786
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME32380111970C05852858.6151.04006
2-hydroxysebacate2-Hydroxy-decanedioic acidME323802128458-1324217.10814
2-hydroxystearate2-Hydroxystearic acidME32380369417C030455695299.25917
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME323804161227C002041900177.04046
2-ketocaprylate2-Keto-octanoic acidME32380567600-3951157.08701
2-linoleoylglycerol (18:2)MG 18:2ME3238065365676-6250279.23293
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME32380714367271-1633356.0987
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME32380886290014-1949260.02343
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME3238096426901-3050246.16999
2-naphthol sulfate2-Naphthyl sulfateME32381074428-3658223.00705
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME3238115319879-6500281.24858
2'-O-methylcytidine2'-O-MethylcytidineME323774150971-2411258.10845
2'-O-methyluridine2'-O-MethyluridineME323775102212-1831257.07791
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME323654--4990169.1234
2-oxoarginine*2-OxoarginineME323812558C037711760174.08732
2-palmitoleoyl-GPC (16:1)*LPC 0:0/16:1ME323813--5720568.3256
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME32381415061532-6215570.34125
2-piperidinone2-PiperidinoneME32381512665-1675100.07569
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME323818--1543119.03498
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME32381910964471-1660119.03498
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME323816--6350480.30956
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME323824171198-1369344.10993
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME32382591C114571980165.05571
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME323826187488-1294245.01253
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME323820--2204119.03498
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME3238279378C036721379181.05063
3,4-methyleneheptanoate-ME323821--3807141.0921
3,5-dichloro-2,6-dihydroxybenzoic acid3,5-Dichloro-2,6-dihydroxybenzoic acidME323822--4412220.94138
3,7-dimethylurate3,7-Dimethyluric acidME32382383126C163601418195.05236
3-acetylphenol sulfate3-Acetylphenol sulfateME323831--2477215.00196
3-amino-2-piperidone3-Amino-2-piperidoneME3238325200225-2065115.08659
3-aminoisobutyrate3-Aminoisobutanoic acidME32383364956C051452190104.07061
3beta-hydroxy-5-cholestenoateCholestenoic acidME323885165511C173335398415.32177
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME32388492997-5205373.27482
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME323834--4505264.89087
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME323835194501-4000267.12379
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME323836123979-2800239.09249
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME3238285233914-2420271.07471
3-decenoylcarnitineCAR 10:1ME323837--1045314.23259
3-ethylcatechol sulfate (1)-ME323838--3422217.01761
3-formylindole1H-Indole-3-carboxaldehydeME32383910256C084932736146.06004
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME323840188979-975117.05571
3-hydroxy-2-methylpyridine sulfate-ME323841--1849188.0023
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME3238421662C037612850161.04555
3-hydroxyadipate*3-Hydroxy-adipic acidME323843151913-3131161.04554
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME323844441C010891480103.04007
3-hydroxybutyroylglycine**-ME323845--978162.07608
3-hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME323846183115-1745367.11469
3-hydroxydecanoate3-Hydroxydecanoic acidME32384726612-4634.7187.13396
3-hydroxydecanoylcarnitineCAR 10:0;3OHME323848--961332.24315
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME32384916663321-2252245.13944
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME323850151492-1725131.07136
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME323851--2918276.18055
3-hydroxyhippurate3-Hydroxyhippuric acidME323852450268-1687194.04588
3-hydroxyhippurate sulfate-ME323853186339-1047274.00269
3-hydroxyindolin-2-one sulfate-ME323854--2082227.99721
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME32385587C060011619103.04007
3-hydroxylaurate3-Hydroxydodecanoic acidME32385694216-5175215.16526
3-hydroxymyristate3-Hydroxytetradecanoic acidME32385716064-5335243.19656
3-hydroxyoctanoate3-Hydroxyoctanoic acidME32385826613-3446159.10266
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME323859--1406442.3527
3-hydroxyphenylacetoylglutamine-ME323860--1825279.09864
3-hydroxypyridine glucuronide-ME323861--1657272.07648
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME323862--1595.5173.98665
3-hydroxysebacate3-Hydroxysebacic acidME3238633017884-1282217.10814
3-hydroxystachydrine*3-HydroxystachydrineME323864442640-1049160.09682
3-hydroxystearate3-Hydroxystearic acidME3238655282907-5674299.25917
3-indoleglyoxylic acid-ME32386673863-2140188.03531
3-indoxyl sulfateIndoxyl sulfateME32386710258-2222.2212.0023
3-methoxycatechol sulfate (1)-ME323868--2163218.99688
3-methoxycatechol sulfate (2)-ME323869--2200218.99688
3-methoxytyrosine3-MethoxytyrosineME3238701670-2555212.09174
3-methyl-2-oxobutyrateKetoisovaleric acidME32387349C001411465115.04006
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME32387447C006712064.2129.05572
3-methyladipate3-Methyladipic acidME32387512292-2865159.06628
3-methyl catechol sulfate (1)-ME323871--2790203.00196
3-methyl catechol sulfate (2)-ME323872--2860203.00196
3-methylcytidine3-MethylcytidineME323876159649-2176258.10845
3-methylglutaconate3E-Methylglutaconic acidME3238771551553-270099.04518
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME323878128145-2687290.15982
3-methylhistidine3-MethylhistidineME32387964969C01152906.3168.07785
3-(methylthio)acetaminophen sulfate*-ME323829--2265276.00059
3-methylxanthine3-MethylxanthineME32388070639C163571415167.05636
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME32383083967-2094311.07072
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME323881107C056292860149.0608
3-phosphoglycerate3-Phosphoglyceric acidME323882724C00597590187.00022
3-ureidopropionateUreidopropionic acidME323883111C026422230131.04621
4-acetamidobutanoate4-Acetamidobutanoic acidME32388618189C02946894144.06661
4-acetamidophenolAcetaminophenME3238871983C068041670152.07061
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME32388883944-1400326.08814
4-acetaminophen sulfateParacetamol sulfateME32388983939C068041792230.01287
4-acetylcatechol sulfate (1)-ME323890--1774230.99688
4-acetylphenol sulfate4-Acetylphenyl sulfateME3238914684006-2375215.00196
4-allylcatechol sulfate-ME323892--3571229.01761
4-allylphenol sulfate4-Allylphenol sulfateME323893--3805213.0227
4-cholesten-3-oneCholestenoneME32389491477C005992520385.3465
4-ethylcatechol sulfate-ME323895--3379217.01761
4-ethylphenylsulfate4-EthylphenolME323896-C136373580201.0227
4-guanidinobutanoate4-Guanidinobutanoic acidME323897500C010352320146.09241
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME323898599C011273073161.00916
4-hydroxychlorothalonil4-HydroxychlorothalonilME32389934217-4427244.90817
4-hydroxycoumarin4-HydroxycoumarinME32390054682930C204142470161.02441
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME323901439902C030791141164.05535
4-hydroxyhippurate4-Hydroxyhippuric acidME323902151012-1475194.04588
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME323903127C006421361151.04007
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME323904--1650279.09864
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME323905979C011791690179.03498
4-imidazoleacetateImidazoleacetic acidME32390696215C028352055127.05021
4-methoxyphenol sulfate4-Methoxyphenol sulfateME323907--2412203.00196
4-methyl-2-oxopentanoateKetoleucineME32390870C002332170129.05571
4-methylbenzenesulfonateToluene-4-sulfonic acidME3239096101C066772350171.01213
4-methylcatechol sulfate-ME323910--2665203.00196
4-methylguaiacol sulfate-ME323911--2978217.01761
4-methylhexanoylglutamine-ME323912--3390257.15068
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME323913--3354229.01761
4-vinylphenol sulfate4-HydroxystyreneME3239146426766C056273320199.00705
5,6-dihydrothymineDihydrothymineME32391593556C009061637.8127.0513
5,6-dihydrouracilDihydrouracilME323916649C004291120113.03565
5,6-dihydrouridine5,6-DihydrouridineME32391794312-1119245.07791
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME32391988299C163661710197.06801
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME323920108214C163651424225.06292
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME323931--4275225.06965
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME323932--4925371.18976
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME323933--5080371.18976
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME323934--4215225.06965
5alpha-androstan-3beta,17beta-diol disulfate-ME323935242332C125253880225.06965
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME323936--4685371.18976
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME323937--3962239.0853
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME323938--5060399.22106
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME323939--5180399.22106
5-dodecenoate (12:1n7)5-Dodecenoic acidME3239215312378-5224197.1547
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME323922--1135342.26389
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME323918--2755325.16055
5-hydroxy-2-methylpyridine sulfate-ME323923--2074188.0023
5-hydroxyhexanoate5-Hydroxycaproic acidME323924170748-1267131.07136
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME3239261826C056351893192.06552
5-hydroxyindole sulfate-ME323925--1928212.0023
5-hydroxylysine5-HydroxylysineME3239271029C167412790163.10772
5-methylthioadenosine (MTA)5'-MethylthioadenosineME323928439176C001702752298.09684
5-methyluridine (ribothymidine)RibothymidineME323929445408-1778.1257.07791
5-oxoprolinePyroglutamic acidME3239307405C01879738.5128.03531
6-bromotryptophan6-BromotryptophanME323940--3565280.99311
6-hydroxyindole sulfate6-Hydroxyindole sulfateME323941--2498212.0023
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME3239423014237-1692142.05096
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME3239433081085C173375288.1429.30103
7-hydroxywarfarin-ME323944--3300323.09249
7-methylguanine7-MethylguanineME32394511361C022422175166.07234
7-methylurate7-Methyluric acidME32394669160C163551321183.05127
7-methylxanthine7-MethylxanthineME32394768374C163531350167.05636
8-methoxykynurenate-ME32394876230C058302863218.04588
acesulfameAcesulfameME32394936573-756161.98665
acetoacetateAcetoacetic acidME32395096C001641062103.03898
acetylcarnitine (C2)CAR 2:0ME3239511C02571946.4202.10848
acisogaAcisogaME323952129397-2297183.1139
aconitate [cis or trans]cis-Aconitic acidME323953--580173.00916
adenineAdenineME323954190C001472221136.06178
adenosineAdenosineME32395560961C002122075.4134.0472
adenosine 5'-diphosphoribose (ADP-ribose)ADP-riboseME323956192C00301920558.06439
adenosine 5'-monophosphate (AMP)AMPME3239576083C000201013348.07037
adipoylcarnitine (C6-DC)CAR DC5:0ME32395871296139-2570290.15982
adrenate (22:4n6)Adrenic acidME3239595497181C165275678331.26425
alanineAlanineME3239605950C00041170090.05496
allantoinAllantoinME323961204C023501672157.03671
allopurinolAllopurinolME3239622094-1530135.03123
allopurinol ribosideAllopurinol ribosideME323963--1660267.07349
alpha-hydroxycaproate2-Hydroxyhexanoic acidME32396499824-1920131.07136
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME32396583697C032641840131.07136
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME32396699823-1052117.05571
alpha-ketobutyrate3-Methyl pyruvic acidME32396758C00109940101.02442
alpha-ketoglutaramate*2-Keto-glutaramic acidME323968--1916144.03023
alpha-ketoglutarate2-Oxoglutaric acidME32396951C000262700145.01425
alpha-tocopherolalpha-TocopherolME32397014985C024772522430.37818
androstenediol (3alpha, 17alpha) monosulfate (2)-ME323972--4712369.17411
androstenediol (3alpha, 17alpha) monosulfate (3)-ME323973--5180369.17411
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME32397487120982C042953740224.06182
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME32397587120982C042954065224.0624
androstenediol (3beta,17beta) monosulfate (1)-ME32397613847309-4535369.17411
androstenediol (3beta,17beta) monosulfate (2)-ME323977--4500369.17411
andro steroid monosulfate C19H28O6S (1)*Dehydroepiandrosterone sulfateME323971-C045553871383.1534
androsterone glucuronideAndrosterone 3-glucuronideME323978114833C111354953465.24939
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME323979159663-5022369.17411
anthranilate2-Aminobenzoic acidME323980227C001082606120.0444
arabinoseArabinoseME32398166308C002161804.5195.05103
arabitol/xylitolArabitolME3239826912C019041932.4151.0612
arabonate/xylonateArabinonic acid/Xylonic acidME323983--2700165.04046
arachidate (20:0)Arachidic acidME32398410467C064256240311.29555
arachidonate (20:4n6)Arachidonic acidME323985444899C002195535303.23295
arachidonoylcarnitine (C20:4)CAR 20:4ME323986--1353448.34215
arachidonoylcholineArachidonoylcholineME323987--1390390.33666
arachidoylcarnitine (C20)*CAR 20:0ME323988--1512456.40474
argininate*Argininic acidME323989160437-2150176.10297
arginineArginineME323990232C000622825175.11896
ascorbic acid 2-sulfate-ME32399186484-3042254.98162
ascorbic acid 3-sulfate*-ME32399211425365-621254.98136
asparagineAsparagineME3239936267C001521225133.06077
aspartateAspartic acidME3239945960C000491165134.04479
atenololAtenololME3239952249D002352668267.17032
azelate (C9-DC)Azelaic acidME3239962266C082611276187.09758
behenoylcarnitine (C22)*CAR 22:0ME323999--1561484.43604
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME323997--3150789.68441
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME323998--3083787.66876
benzoateBenzoic acidME324000243C001801750121.0295
benzoylcarnitine*BenzoylcarnitineME324001--3041266.13869
beta-alaninebeta-AlanineME324002239C00099190590.05496
beta-citrylglutamateBeta-Citryl-glutamic acidME32400372715786C20775530320.06232
beta-cryptoxanthinCryptoxanthinME3240046384256-2560552.43257
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME32400569362-1027117.05572
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME324006--2584262.1649
betaineBetaineME324007247C007191064118.08626
bilirubin (E,E)*BilirubinME3240085315454-1045585.27076
bilirubin (E,Z or Z,E)*BilirubinME3240095799469-1265585.27076
bilirubin (Z,Z)BilirubinME3240105280352C004861840585.27076
biliverdinBiliverdinME3240115353439C005001016583.25512
branched chain 14:0 dicarboxylic acid**-ME324012--3849257.17583
branched-chain, straight-chain, or cyclopropyl 10:...Decenoic acidME324013--4805169.1234
branched-chain, straight-chain, or cyclopropyl 10:...-ME324014--4853169.1234
branched-chain, straight-chain, or cyclopropyl 10:...-ME324015--4931169.1234
branched-chain, straight-chain, or cyclopropyl 12:...-ME324016--5261197.15457
butyrate (4:0)Butyric acidME324017264C00246106287.04515
butyrylcarnitine (C4)CAR 4:0ME324018439829C028622860232.15434
butyrylglycineN-ButyrylglycineME32401988412-1470144.06661
caffeic acid sulfate-ME324021--1307258.99179
caffeineCaffeineME3240222519C074812106195.08766
campesterolCampesterolME324023173183C017892873383.36724
caprate (10:0)Capric acidME3240242969C015715090.7171.13905
caproate (6:0)Caproic acidME3240258892C015852713.7115.07645
caprylate (8:0)Caprylic acidME324026379C064234362143.10775
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME3240272572-2085176.09174
carboxyibuprofenCarboxyibuprofenME32402810444113-1920235.09758
carnitineCarnitineME32402910917C003181978162.11247
carnitine of C10H14O2 (5)*-ME324030--4521370.18711
carotene diol (1)Carotene diolME324031--1720568.42759
carotene diol (2)Carotene diolME324032--1904568.42793
carotene diol (3)Carotene diolME324033--1948568.42786
catechol sulfateCatechol sulfateME3240343083879-1906188.98631
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME324035--3850620.59763
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME324036--2477510.48808
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME324037--3055552.53505
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME324038--3920594.58199
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME324039--3858646.6133
cerotoylcarnitine (C26)*CAR 26:0ME324040--1649540.49864
cetirizineCetirizineME3240412678C077781052389.16265
C-glycosyltryptophanC-GlycosyltryptophanME32402010981970-1777365.13542
chenodeoxycholateChenodeoxycholic acidME32404210133C025285264391.28538
chenodeoxycholic acid sulfate (1)Chenodeoxycholic acid sulfateME324043--4531235.11746
cholateCholic acidME324044221493C006955165407.28029
cholesterolCholesterolME32404511025495C001872707369.35159
cholineCholineME324046305C001141961104.10699
choline phosphateCholine phosphateME3240471014C00588700184.07332
cinnamoylglycineCinnamoylglycineME324048709625-3127204.06661
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME3240495312351-4890169.1234
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME324050--1057314.23259
cis-urocanateUrocanic acidME3240511549103-2406139.05021
citalopram N-oxide*-ME32405210068142C16607905341.16599
citalopram propionate*-ME32405310403174C166104400310.08849
citraconate/glutaconateCitraconic acid/Glutaconic acidME324054--2600129.0194
citramalateCitramalic acidME3240551081C008151224166.071
citrateCitric acidME324056311C00158582191.01973
citrullineCitrullineME3240579750C003271520176.10297
cortisolCortisolME3240585754C007354710361.20204
cortisoneCortisoneME324059222786C007624575359.18639
cortolone glucuronide (1)-ME324060--4600541.26543
cotinineCotinineME324061854019-2213177.10224
cotinine N-oxideCotinine N-oxideME3240629815514-1377193.09716
creatineCreatineME324063586C003001947132.07676
creatinineCreatinineME324064588C007912055114.06619
cys-gly, oxidizedCYS-GLY, oxidizedME324065333293-2947355.07406
cystathionineCystathionineME324066439258C022912270223.07471
cysteineCysteineME3240675862C000971475122.02703
cysteine-glutathione disulfideS-Glutathionyl-cysteineME3240704247235-2465427.09519
cysteine s-sulfateCysteine-S-sulfateME324068115015C05824565201.98384
cysteine sulfinic acid3-Sulfino-alanineME324069109C00606597154.01686
cysteinylglycineCys-GlyME324071439498C014192132179.0485
cysteinylglycine disulfide*Cysteinylglycine disulfideME324072--2547298.05259
cystineCystineME32407367678C004912000241.03113
cytidineCytidineME3240746175C004752124244.0928
cytosineCytosineME324075597C003802060112.05054
decadienedioic acid (C10:2-DC)**-ME324076--2329.7197.08185
decanoylcarnitine (C10)CAR 10:0ME32407710245190-1130316.24824
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME32407812594C045554745367.15846
deoxycarnitine3-DehydroxycarnitineME324079134C011812052146.11756
deoxycholateDeoxycholic acidME324080222528C044835294391.28538
deoxycholic acid (12 or 24)-sulfate*Deoxycholic acidME324081--4580235.11746
deoxycholic acid glucuronide-ME324082--4800567.31747
desmethylcitalopram*N-DesmethylcitalopramME324083162180C16608880311.15542
desmethylnaproxenO-DesmethylnaproxenME32408413393711-3045215.07136
desmethylnaproxen sulfate-ME324085184679-2250295.02818
dexlansoprazoleDexlansoprazoleME3240869578005D08903827370.08316
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*DG 32:1ME324087--3057584.52486
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*DG 32:1ME324088--3183584.52486
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME324089--2733608.52486
didesmethylcitalopram*-ME324090--876297.13977
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME3240916439848C165255730307.26425
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME3240925280581C032425596305.2486
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME324094--1392450.35777
dihomo-linolenoyl-choline-ME324093--1424392.35231
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME324095--1436452.37343
dihydrocaffeate sulfate (2)Dihydrocaffeic acid 3-sulfateME32409649844181-1328261.00744
dihydroferulic acid sulfateDihydroferulic acid 4-sulfateME324097187489-1520275.02309
dihydroorotate4,5-Dihydroorotic acidME324098648C003371910157.02548
dimethylarginine (SDMA + ADMA)DimethylarginineME324100123831C036262850203.15026
dimethylglycineDimethylglycineME324101673C010261104104.07061
dimethylguanidino valeric acid (DMGV)*DMGVME324102--1891202.11862
dimethyl sulfoneDimethyl sulfoneME3240996213C1114283295.01613
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME3241035282807C165336034335.29555
docosadioate (C22-DC)Docosanedioic acidME324104244872C196255291.8369.30103
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME324105445580C064295525327.23295
docosahexaenoylcholine-ME324106--1378414.33666
docosapentaenoate (n3 DPA; 22:5n3)DPAME3241076441454C165135571329.2486
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME3241086441454C165135624.5329.2486
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME324109--1387474.35777
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME3241105312556C165345823333.2799
docosatrienoate (22:3n6)*Docosatrienoic acidME324111--5850333.27989
dodecadienoate (12:2)*Dodecadienoic acidME324112--5146195.13905
dodecanedioate (C12-DC)Dodecanedioic acidME32411312736C026782990229.14453
dodecenedioate (C12:1-DC)*Traumatic acidME324114--2700227.12887
dopamine 3-O-sulfateDopamine 3-O-sulfateME324115122136C136901556.2232.02845
dopamine 4-sulfateDopamine 4-sulfateME324116123932C136911511232.02848
ectoineEctoineME324117126041C062311980143.08151
EDTAEdetic acidME3241186049C00284643291.08339
eicosanedioate (C20-DC)Eicosanedioic acidME32411975502-5200.9341.26973
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME324120446284C064285450301.2173
eicosapentaenoylcholine-ME324121--1343388.32101
eicosenedioate (C20:1-DC)*-ME324122--5095339.25407
eicosenoate (20:1)cis-Gondoic acidME3241235282768C165265950309.2799
eicosenoylcarnitine (C20:1)*CAR 20:1ME324124--1484454.38909
enalaprilEnalaprilME3241253222-900377.2071
enalaprilat*-ME3241265462501C117203149349.1758
epiandrosterone sulfateEpiandrosteroneME3241279929317-4855369.17411
ergothioneineErgothioneineME3241283032311C05570850230.09578
erucate (22:1n9)cis-Erucic acidME3241295281116C083166355.6337.3112
erythritolErythritolME324130222285C005031491167.05611
erythronate*Erythronic acidME3241312781043-2186135.02989
escitalopramEscitalopramME324132146570D07913908325.17107
ethyl alpha-glucopyranoside-ME324133428040-1248226.12852
ethyl glucuronideEthyl glucuronideME324134152226-1181240.10778
ethylmalonateEthylmalonic acidME32413511756-2785131.03498
etiocholanolone glucuronideAndrosterone 3-glucuronideME324136270605-4915465.24939
eugenol sulfateEugenol sulfateME324137180632-3782243.03326
febuxostat-ME324138134018D012064748315.08088
ferulic acid 4-sulfateFerulic acid 4-sulfateME3241396305574-1255273.00744
fexofenadineFexofenadineME3241403348C06999944502.29519
Fibrinopeptide A, des-ala(1)*-ME324141--2535731.31677
flavin adenine dinucleotide (FAD)FADME324142643975C000162425784.14985
fluoxetineFluoxetineME3241433386D003261025310.14133
formiminoglutamateFormiminoglutamic acidME324144439233C004391880175.07134
fructoseFructoseME3241455984C000952065225.06159
fructosyllysineFructosyllysineME324146123708-2784309.16563
fumarateFumaric acidME324147444972C001223084115.00368
furosemideFurosemideME3241483440D003313515329.00044
galactonateGalactonic acidME324149128869C008803085195.05102
gamma-CEHCgamma-CEHCME324150133098-3843263.12888
gamma-CEHC glucuronide*-ME324151--2500439.16097
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME324152--2380233.1132
gamma-glutamylalaninegamma-GlutamylalanineME324155440103-1986219.09755
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME32415365254-2784276.1554
gamma-glutamylcitrulline*-ME324156--1644305.14556
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME3241547015685-2725276.1554
gamma-glutamylglutamategamma-Glutamylglutamic acidME32415792865C052821775277.10303
gamma-glutamylglutaminegamma-GlutamylglutamineME324158150914C052833720274.10446
gamma-glutamylglycinegamma-GlutamylglycineME324159165527-1535205.0819
gamma-glutamylhistidinegamma-GlutamylhistidineME3241607017195-2740285.11935
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME32416114253342-2940261.1445
gamma-glutamylleucinegamma-GlutamylleucineME324162151023-2991261.1445
gamma-glutamylmethioninegamma-GlutamylmethionineME3241637009567-2640279.10092
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME324164111299-1825293.11429
gamma-glutamylthreoninegamma-GlutamylthreonineME32416576078708-1750249.10812
gamma-glutamyltryptophangamma-GlutamyltryptophanME3241663989307-1960332.12519
gamma-glutamyltyrosinegamma-GlutamyltyrosineME32416794340-1240309.10921
gamma-glutamylvalinegamma-GlutamylvalineME3241687015683-2700247.12885
gamma-tocopherol/beta-tocopherolbeta-tocopherolME324169--2384416.36427
gentisateGentisic acidME3241703469C00628905153.01933
gluconateGluconic acidME32417110690C002572922195.05102
glucoseGlucoseME3241725793C000312342225.06159
glucuronateGlucuronic acidME324173444791C001913233.3193.03537
glucuronide of C10H18O2 (7)*-ME324174--3790345.1555
glucuronide of C10H18O2 (8)*-ME324175--3865345.1555
glucuronide of piperine metabolite C17H21NO3 (3)*-ME324176--3951462.17696
glucuronide of piperine metabolite C17H21NO3 (4)*-ME324177--3992462.17696
glucuronide of piperine metabolite C17H21NO3 (5)*-ME324178--4039462.17696
glutamateGlutamic acidME324179611C000251500148.06044
glutamineGlutamineME3241805961C000641291147.07642
glutamine conjugate of C6H10O2 (1)*-ME324181--2404241.11938
glutamine conjugate of C6H10O2 (2)*-ME324182--2526241.11938
glutamine conjugate of C7H12O2*-ME324183--3053255.13502
glutarate (C5-DC)Glutaric acidME324184743C004892900131.03498
glutarylcarnitine (C5-DC)CAR DC5:0ME32418571464488-2393276.14417
glycerateGlyceric acidME324186752C002582070.4105.01933
glycerolGlycerolME324187753C0011675891.04007
glycerol 3-phosphatesn-Glycero-3-phosphateME324188754C00093580173.02095
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME324189123874C01233659216.06315
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME324190167572-516335.07378
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME32419171920C006703003.1302.10102
glycerophosphoserine*sn-Glycero-3-phosphoserineME3241923081457-577260.05298
glycineGlycineME324193750C00037137576.03931
glycine conjugate of C10H12O2*-ME324194--4005220.09791
glycine conjugate of C10H14O2 (1)*-ME324195--4335222.11356
glyco-beta-muricholate**Glyco-beta-muricholic acidME324196--4762464.30176
glycochenodeoxycholateGlycochenodeoxycholic acidME32419712544C054665236.1448.30684
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME324198--4820263.62819
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME324199--4806311.66583
glycocholateGlycocholic acidME32420010140C019215163464.30176
glycocholenate sulfate*Glycocholenate sulfateME324201--4750254.62291
glycodeoxycholateGlycodeoxycholic acidME3242023035026C054645281448.30684
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME324203--4875263.62819
glycolithocholateGlycolithocholic acidME324204115245C155575357.1432.31193
glycolithocholate sulfate*Sulfoglycolithocholic acidME32420572222C113015011255.63073
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*HexCer 40:2;O2ME324206--3373782.65045
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME324207--3414756.6348
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*HexCer 41:2;O2ME324208--3667796.66609
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME324209--3380808.66609
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...HexCer 18:1;O2/24:1;OME324210--3839826.67665
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME324211--3420782.65045
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME324212--2623700.5722
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME324213--3053728.6035
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)...HexCer 18:2;O2/23:0ME324214--3724796.6661
glycoursodeoxycholateGlycoursodeoxycholic acidME32421512310288-5033448.30684
glycoursodeoxycholic acid sulfate (1)-ME324216--4309263.62819
glycyrrhetinateGlycyrrhetinic acidME32421718526330C022831494471.34689
guaiacol sulfateGuaiacol sulfateME32421822473-2344203.00196
guanidinoacetateGuanidoacetic acidME324219763C005812884116.04655
guanidinosuccinateGuanidinosuccinic acidME32422097856C031393550174.05203
guanineGuanineME324221764C002422032152.05669
gulonate*Gulonic acidME324222152304C002572750195.05102
hemeHemeME32422326945C000321124616.1762
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME32422411998573-5514315.23295
heptanoate (7:0)Heptylic acidME3242258094C177143670129.0921
heptenedioate (C7:1-DC)*-ME324226--2816157.05063
hexadecadienoate (16:2n6)Hexadecadienoic acidME324227--5398251.20165
hexadecanedioate (C16-DC)Hexadecanedioic acidME32422810459C196154615285.20713
hexadecasphingosine (d16:1)*C16 SphingosineME324229--1289272.25841
hexadecenedioate (C16:1-DC)*-ME324230--4380283.19148
hexanoylcarnitine (C6)CAR 6:0ME3242316426853-800260.18564
hexanoylglutamineHexanoylglutamineME324232--2780243.13503
hexanoylglycineHexanoylglycineME32423399463-2900172.09791
hippurateHippuric acidME324234464C015862106.9178.05096
histidineHistidineME3242356274C00135755.9154.0622
histidine betaine (hercynine)*HercynineME3242363083620-2094198.12371
homoarginineHomoarginineME3242379085C019242882189.13461
homocitrullineHomocitrullineME32423865072C02427789188.10406
homostachydrine*(S)-HomostachydrineME324239441447C082831750158.11756
homovanillate (HVA)Homovanillic acidME3242401738C055821649181.05063
hydantoin-5-propionateHydantoin-5-propionic acidME324241782C055652080171.04113
hydrochlorothiazideHydrochlorothiazideME3242423639C070412046295.95719
hydroquinone sulfateQuinol sulfateME324243161220C005301395188.98631
hydroxyasparagine**HydroxyasparagineME32424697663C031241149149.05568
hydroxy-CMPF*-ME324244--1516255.08741
hydroxycotininetrans-3-HydroxycotinineME32424710219774-2030193.09716
hydroxy-N6,N6,N6-trimethyllysine*-ME324245--2759205.15468
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**SM 18:1;O2/24:0ME324248--2056719.56978
hyocholateHyocholic acidME32424992805C176495046407.28029
hypotaurineHypotaurineME324250107812C005192763.4108.01247
hypoxanthineHypoxanthineME324251790C002621291.2135.03123
ibuprofenIbuprofenME3242523672D001264925205.1234
ibuprofen acyl glucuronide-ME324253163959-4976381.15549
imidazole lactateImidazolelactic acidME324254440129C055682040157.06077
imidazole propionateImidazole propanoateME32425570630-2263141.06586
iminodiacetate (IDA)IminodiacetateME3242568897C19911830134.04479
indole-3-carboxylateIndole-3-carboxylic acidME32425769867C198371710160.0404
indoleacetateIndoleacetic acidME324258802C009542200174.05605
indoleacetoylcarnitine*-ME324259--3114319.16524
indoleacetylglutamineIndoleacetyl glutamineME32426025200879-2535302.11463
indolebutyrate3-Indolebutyric acidME3242618617C112843308202.08735
indolelactateIndolelactic acidME32426292904C020432286204.06661
indolepropionate3-Indolepropionic acidME3242633744-2795188.0717
indolin-2-oneIndolin-2-oneME324264321710C123122575134.06004
inosineInosineME3242656021C002941602.1267.07349
inosine 5'-monophosphate (IMP)IMPME3242668582C00130650349.05438
isobutyrylcarnitine (C4)CAR 3:0;2MeME324267168379-2810232.15434
isobutyrylglycineIsobutyrylglycineME32426810855600-1420144.06661
isocitrateIsocitric acidME3242691198C00311773210.0608
isocitric lactoneIsocitric acid lactoneME32427098259-2970173.00916
isoleucineIsoleucineME3242716306C004072800132.10191
isoleucylglycineIle-GlyME324272342532-1992187.10881
isoursodeoxycholateIsoursodeoxycholic acidME324273127601C176624809391.28538
isoursodeoxycholate sulfate (1)-ME324274--4082235.11746
isovalerate (i5:0)Isovaleric acidME32427510430C082621564101.0608
isovalerylcarnitine (C5)CAR 4:0;3MeME3242766426851-3085246.16999
kynurenateKynurenic acidME3242773845C017172224188.03531
kynurenineKynurenineME324278161166C003282739209.09207
lactateLactic acidME324280612C001861468.889.02442
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME324281--3842946.71892
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME324282--3778972.73457
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME324283--2527862.62502
lanthionineLanthionineME32428498504-1730209.05906
laurate (12:0)Lauric acidME3242853893C026795300199.17035
laurylcarnitine (C12)CAR 12:0ME32428610427569-1235344.27954
leucineLeucineME3242876106C001232864132.10191
leucylalanineLeu-AlaME324288259321-2801203.13902
leucylglycineLeu-GlyME32428979070-2778189.12337
lignoceroylcarnitine (C24)*CAR 24:0ME324291--1603512.46733
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME324290--3437815.70006
linoleate (18:2n6)Linoleic acidME3242925280450C015955535279.23295
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME3242935280934C064265450277.2173
linolenoylcarnitine (C18:3)*CAR 18:3ME324294--1310422.32649
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME324296--2590658.54051
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME324297--2650658.54051
linoleoylcarnitine (C18:2)*CAR 18:2ME3243036450015-1430424.34214
linoleoylcholine*alpha-LinoleoylcholineME324304--1388366.33666
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...DG 18:2_22:6ME324298--2450682.54051
linoleoyl ethanolamideLinoleoyl-EAME3242955283446-6150322.27515
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME324299--2426632.52486
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME324300--2478632.52486
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME324301--2720634.54051
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME324302--2790634.54051
lithocholate sulfate (1)Lithocholic acid sulfateME324305--4811227.12
lithocholic acid sulfate (2)Lithocholic acid sulfateME324306--5028227.12
L-urobilinL-UrobilinME3242795280818C05793901595.34902
lysineLysineME3243075962C000472850147.11281
malateMalic acidME324308525C00149615.6133.01425
maleateMaleic acidME324309444266C013842640115.00368
malonateMalonic acidME324310867C003833447103.00368
malonylcarnitineCAR DC3:0ME32431122833583-2086248.11287
maltoseMaltoseME32431210991489C00208765341.10894
maltotrioseMaltotrioseME324313439586C01835812503.16175
mannitol/sorbitolSorbitolME3243145780C007942320181.07176
mannonate*Mannonic acidME3243153246006-2736195.05102
mannoseMannoseME32431618950C001592200225.06159
margarate (17:0)Margaric acidME32431710465-5731269.2486
margaroylcarnitine (C17)*CAR 17:0ME324318--1424414.35779
metabolonic lactone sulfate-ME324319--4802427.21598
metforminMetforminME3243204091C071512817130.10873
methionineMethionineME3243216137C000732526150.05833
methionine sulfoneMethionine sulfoneME32432269961-1250182.04816
methionine sulfoxideMethionine sulfoxideME324323158980C029891272166.05325
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME324326--2873230.99688
methyl glucopyranoside (alpha + beta)Methyl glucoseME324324--1070193.0718
methyl indole-3-acetateIndole-3-methyl acetateME32432574706-3380190.08626
methylmalonate (MMA)Methylmalonic acidME324327487C021703078.4117.01933
methylsuccinateMethylsuccinic acidME32432810349-2800131.03498
metoprololMetoprololME3243294171D023583312268.19072
metoprolol acid metabolite*-ME32433062936-2950268.15434
myo-inositolMyo-inositolME324331892C001373506.3225.06159
myristate (14:0)Myristic acidME32433211005C064245440227.20165
myristoleate (14:1n5)Myristoleic acidME3243335281119C083225346.9225.186
myristoleoylcarnitine (C14:1)*CAR 14:1ME32433490659872-1316370.29471
myristoylcarnitine (C14)CAR 14:0ME3243386426854-1350372.31084
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME324335--2060677.5592
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]*DG 14:0_18:2ME324336--2679582.50921
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]*DG 14:0_18:2ME324337--2720582.50921
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME32440169698C058421668151.0513
N1-methyladenosine1-MethyladenosineME32440227476C024942120282.11969
N1-methylinosine1-MethylinosineME32440365095-1430283.1037
(N(1) + N(8))-acetylspermidineAsparagineME323657--3080188.17574
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME324407--2168203.13902
N2-acetyl,N6,N6-dimethyllysineN2-Acetyl,N6,N6-dimethyllysineME324406--2172217.15467
N-(2-furoyl)glycine2-FuroylglycineME32434421863-1230168.03023
N2-methylguanosine2-MethylguanosineME3244083035422-1988296.10004
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME32440492919-2210312.13025
N2,N5-diacetylornithineN2,N5-DiacetylornithineME32440510398396-1367215.10373
N4-acetylcytidineN4-AcetylcytidineME324409107461-2040284.08881
N6-acetyllysineN6-AcetyllysineME32441292832C027271059187.10881
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME324413161466-2164411.12698
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME324414123800-2500205.11829
N6-methyllysineN(6)-MethyllysineME324415164795C027282831161.12846
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME324411193344C055452831175.14411
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME324410440120C037932825189.15976
N6-succinyladenosineSuccinyladenosineME324416165243-940382.10043
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME324346193270-2100212.1028
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME32434795555-3943200.12921
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME324348193270-2056212.10297
N-acetylalanineN-AcetylalanineME32435288064C028471564.8130.05096
N-acetylalliinN-AcetylalliinME324353--1348220.06381
N-acetylarginineN-AcetylarginineME32435467427C025622245217.12952
N-acetylaspartate (NAA)N-Acetylaspartic acidME32435565065C010423143174.04079
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME3243495255C122703900303.08339
N-acetyl-beta-alanineN-Acetyl-beta-alanineME32435076406C01073773130.05096
N-acetylcarnosineN-AcetylcarnosineME3243569903482-2141269.12444
N-acetylcitrullineN-AcetylcitrullineME324357656979C15532940216.09898
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME32435824139-1897220.08264
N-acetylglucosaminylasparagineAspartylglycosamineME324359123826C045401212336.14015
N-acetylglutamateN-Acetylglutamic acidME32436070914C006243106188.05644
N-acetylglutamineN-AcetylglutamineME324361182230C02716771187.07243
N-acetylglycineN-AcetylglycineME32436210972-826118.04987
N-acetylhistidineN-AcetylhistidineME32436375619C029972088196.07276
N-acetyl-isoputreanineN-AcetylisoputreanineME324351--2305203.13902
N-acetylleucineN-AcetylleucineME32436470912C027102400172.09791
N-acetylmethionineN-AcetylmethionineME324365448580C027121787190.05434
N-acetylneuraminateN-Acetylneuraminic acidME324366439197C00270660310.11326
N-acetylphenylalanineN-AcetylphenylalanineME32436774839C035192597206.08226
N-acetylprolineN-Acetyl-prolineME324368322640-1695158.08117
N-acetylputrescineN-AcetylputrescineME324369122356C027142230131.11789
N-acetylserineN-AcetylserineME32437065249-2000146.04588
N-acetyl sulfapyridineN4-AcetylsulfapyridineME32434558638-2146292.07504
N-acetyltaurineN-AcetyltaurineME324371159864-1249166.01795
N-acetylthreonineN-AcetylthreonineME324372152204-821.6160.06153
N-acetyltryptophanN-Acetyl-tryptophanME324373700653C031372630245.09316
N-acetyltyrosineN-AcetyltyrosineME32437468310-1680222.07718
N-acetylvalineN-AcetylvalineME32437566789-1704158.08226
naproxenNaproxenME324417156391C015174155229.08702
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME324376--3911620.59763
N-carbamoylalanineN-CarbamoylalanineME324377426409-950133.06077
N-carbamoylaspartateN-Carbamoylaspartic acidME32437893072C004383800175.03604
N-carbamoylvaline-ME3243795151292-1270159.07751
N-delta-acetylornithineN(5)-Acetyl-ornithineME3243809920500-858173.09316
N-desmethyl tramadol-ME32438110354700-3360250.18016
nervonate (24:1n9)*Nervonic acidME3244185281120C083236804365.3425
nervonoylcarnitine (C24:1)*CAR 24:1ME324419--1602510.45168
N-formylanthranilic acidFormylanthranilic acidME324382101399C05653900164.03531
N-formylmethionineN-FormylmethionineME324383439750C031451543.8176.03869
N-formylphenylalanineN-FormylphenylalanineME324384759256-2360192.06661
nicotinamideNiacinamideME324420936C001531942123.05529
nisinate (24:6n3)THAME32442111792612-5657355.26425
N-methylhydroxyproline**N-Methyl-4-hydroxyprolineME324385--1145146.08118
N-methylpipecolateN-methyl pipecolic acidME32438611286529-1932144.10191
N-methylprolineN-Methyl-prolineME324387557-1335130.08626
N-methyltaurineN-MethyltaurineME3243887882-1650138.02303
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME324341--2290146.11756
N,N-dimethylalanineN,N-DimethylalanineME3243425488191-1370118.08626
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME324339--2186160.13321
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME324340--2470229.15467
N,O-didesmethylvenlafaxine glucuronide-ME324343--2902426.21225
N-oleoylserineNASer 18:1(9Z)ME324389--5600368.28063
N-oleoyltaurineN-Oleoyl taurineME3243906437033-5610388.2527
nonadecanoate (19:0)Nonadecylic acidME32442212591C165356068297.2799
nonanoylcarnitine (C9)CAR 9:0ME324423--1003302.23259
norcotinineNorcotinineME324424413-2156163.08659
norfluoxetine-ME3244254541-1008296.12568
N-oxalyl glycine (NOG)-ME3243913080614-3292146.00949
N-palmitoylglycineN-Palmitoyl glycineME324396151008-5580312.25441
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*Cer 17:1;O2/16:0ME324392--2645524.50374
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME324393--2490536.50372
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME3243945283572-3090540.53503
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME3243955283564-2893538.51937
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME324397--2846564.53503
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME3243985283573-3526568.56632
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME3243995283565-3392566.55067
N-stearoyltaurineN-Stearoyl taurineME324400168274-5782390.26835
o-cresol sulfateo-Cresol sulfateME32442611615528-2796187.00705
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME324431--4676309.20714
octadecanedioate (C18-DC)Octadecanedioic acidME32443270095-5043313.23843
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME324433--1227458.34762
octadecenedioate (C18:1-DC)*-ME324434--4875311.22279
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME324435--1180456.33197
octanoylcarnitine (C8)CAR 8:0ME324436123701C02838950288.21694
O-desmethyltramadolO-DesmethyltramadolME324427130829-3045250.18016
O-desmethyltramadol glucuronide-ME324428--2741426.21225
O-desmethylvenlafaxineDesvenlafaxineME324429125017D077933253264.19581
oleate/vaccenate (18:1)Oleic acidME324437--5655281.2486
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME324439--2907660.55616
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME324440--2990660.55616
oleoylcarnitine (C18:1)CAR 18:1ME3244466441392-1423426.35779
oleoylcholineOleoylcholineME324447--1449368.35231
oleoyl ethanolamideOleoyl-EAME3244385283454-6450324.2908
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*DG 18:1_18:3ME324441--2819634.54051
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME324442--3115636.55616
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME324443--3223636.55616
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME324444--3571638.57181
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME324445--3695638.57181
omeprazoleOmeprazoleME3244484594C073244673344.10743
ornithineOrnithineME3244496262C000772800133.09716
orotateOrotic acidME324450967C002951638.1155.00983
orotidineOrotidineME32445192751-2250287.05209
O-sulfo-L-tyrosineSulfotyrosineME324430514186-990260.02343
oxalate (ethanedioate)Oxalic acidME324452971C0020960388.98803
oxypurinolOxypurinolME3244534644D023651656151.02615
palmitate (16:0)Palmitic acidME324456985C002495618255.23295
palmitoleate (16:1n7)Palmitoleic acidME324457445638C083625475253.2173
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...DG 16:1_20:4ME324458--2528632.52486
palmitoleoylcarnitine (C16:1)*CAR 16:1ME32446271464547-1357398.32649
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME324459--2664608.52486
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]*DG 16:1_18:1ME3244609543694-3035610.54051
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*DG 16:1_18:1ME324461--3154610.54051
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME324465--2916634.54051
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*DG 16:0_20:4ME324466--3015634.54051
palmitoylcarnitine (C16)CAR 16:0ME324473461C029901425400.34214
palmitoylcholinePalmitoylcholineME324474151731-1482342.33666
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME3244639939965-2290705.5905
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...DG 16:0_22:6ME324467--2749658.54051
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME3244689543695-3080610.54051
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME324469--3197610.54051
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*DG 16:0_18:1ME324470-C138613562612.55616
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME324471-C138613695612.55616
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME3244649939941-2168703.57485
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME324472--2207661.5279
pantoate(R)-Pantoic acidME324475439251C005221143147.06628
pantoprazolePantoprazoleME3244764679C118064398382.06785
pantothenatePantothenic acidME3244776613C008641498.7218.10339
paraxanthineParaxanthineME3244784687C137472279179.05745
p-cresol glucuronide*P-Cresol glucuronideME324454154035-2420283.08232
p-cresol sulfatep-Cresol sulfateME3244554615423-2890187.00705
pentadecanoate (15:0)Pentadecylic acidME32447913849C165375521241.2173
pentose acid*Valeric acidME324480--2180165.04046
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME32448174483C18142662498.93021
perfluorooctanoate (PFOA)Perfluorooctanoic acidME3244829554-685412.96642
phenol sulfatePhenyl hydrogen sulfateME32448374426C021802156172.9914
phenylacetatePhenyl acetateME324484999C07086215091.05535
phenylacetylcarnitine-ME324485101724840-3092280.15434
phenylacetylglutamateN-Phenylacetylglutamic acidME32448611579826-1570264.08774
phenylacetylglutaminealpha-N-PhenylacetylglutamineME32448792258C041482330263.10373
phenylacetylglycinePhenylacetylglycineME32448868144C055982375192.06661
phenylalaninePhenylalanineME3244896140C000792878166.08626
phenyllactate (PLA)Phenyllactic acidME3244903848C056072208165.05571
phenylpyruvatePhenylpyruvic acidME324491997C001662515163.04007
phosphatePhosphoric acidME3244921061C0000957698.98418
phosphoethanolaminePhosphoethanolamineME3244931015C00346700142.02638
picolinatePicolinic acidME3244941018C10164910124.03931
picolinoylglycinePicolinoylglycineME32449511788622-1867179.04621
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME324496--2773304.17547
pipecolatePipecolic acidME324497849C004082200130.08626
piperinePiperineME324498638024C038821168286.14377
pregabalinPregabalinME3244994715169-3123160.13321
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME324500123796-5145495.29634
pregnenediol disulfate (C21H34O8S2)*-ME324501--3868238.07747
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME324502--5000397.20541
pregnenetriol disulfate*-ME324503--3504246.07493
pregnenetriol sulfate*-ME324504--4749413.20033
pregnenolone sulfatePregnenolone sulfateME324505105074-5100395.18976
pro-hydroxy-proPro-hydroxyProME32450611673055-2128229.11829
prolineProlineME324507145742C001481603116.07061
prolylglycinePro-GlyME3245086426709-2136173.09207
propionylcarnitine (C3)CAR 3:0ME324509107738C030172590218.13869
propionylglycinePropionylglycineME32451098681-960130.05096
propyl 4-hydroxybenzoate sulfate-ME324511--3971259.02818
pseudouridinePseudouridineME32451215047C020671100243.06226
pyridoxate4-Pyridoxic acidME3245136723C008472185182.04588
pyroglutamine*PyroglutamineME324514134508-1900129.06586
pyrralinePyrralineME324515122228-2304253.11938
pyruvatePyruvic acidME3245161060C00022108387.00877
quinateQuinic acidME3245176508C002962432.9191.05611
quinineQuinineME3245182728270-3378325.19106
quinolinateQuinolinic acidME3245191066C03722845168.02914
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME32365853481617-2400248.14925
retinalRetinalME324520638015C003761666285.2213
retinol (Vitamin A)RetinolME324521445354C004731636269.22639
ribitolRibitolME3245226912C004741789.6151.06119
ribonateRibonic acidME3245235460677C016852425165.04046
ribulonate/xylulonate/lyxonate*-ME324524--2350165.04046
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME3245251196C043221528114.05496
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME323659--2340248.14925
saccharinSaccharinME3245295143D010852000181.99173
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME324526439155C000211832.4383.11431
salicylateSalicylic acidME324530338C00805802137.02422
salicyluric glucuronide*Salicyluric glucuronideME324531--1463370.07797
sarcosineSarcosineME3245321088C00213128090.05496
sebacate (C10-DC)Sebacic acidME3245335192C082771788201.11323
sedoheptuloseGlucoheptuloseME3245345459879-2255209.06667
serineSerineME3245355951C000651239106.04987
serotoninSerotoninME3245365202C007802550177.10224
sitagliptinSitagliptinME32453711306691-4485468.11119
S-methylcysteineMethylcysteineME32452724417-880134.02812
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME32452882142-900152.03759
spermidineSpermidineME3245381102C003153355146.16518
sphingadienineSphingadienineME3245396449795-1350298.27406
sphinganineSphinganineME3245403126C008361413302.30536
sphinganine-1-phosphateSphinganine 1-phosphateME324541520-1431382.27169
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME324542--1950661.52791
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME324543--2082689.5592
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME324544--1837687.54355
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME324545--2362733.6218
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME324546--2600761.65311
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME32454711433862-1998675.54355
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME324548--2312717.5905
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME3245496443882-2167729.5905
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME324550--2330745.62178
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME324551--2685759.6375
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME324552--2383757.6218
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...SM 18:1;O2/20:2ME324553--2039755.60615
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME324554--2793773.65311
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME324555--2666785.65311
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME324556--2209783.63746
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME324557--3033813.68441
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME324558--3500829.71571
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME324559--1860673.5279
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME324560--2002701.5592
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME324561--1904727.57485
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME324562--2330771.63748
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME324563--2845799.66868
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME324564--2315797.65308
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME324565--2635811.66868
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME324566--2215809.65308
sphingosineSphingosineME3245675353955C003191393300.28971
sphingosine 1-phosphateSphingosine 1-phosphateME3245685283560C061241375380.25604
stachydrineStachydrineME324569115244C101721440144.10191
stearate (18:0)Stearic acidME3245705281C015305872283.26425
stearidonate (18:4n3)Stearidonic acidME3245715312508C163005395275.20165
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME324573--3404662.57181
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME324574--3522662.57181
stearoylcarnitine (C18)CAR 18:0ME3245756426855-1485428.37344
stearoylcholine*StearoylcholineME324576--1520370.36797
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME3245726453725C005502400731.60615
suberate (C8-DC)Suberic acidME32457710457C082782577.6173.08193
succinateSuccinic acidME3245781110C000423149117.01933
succinimideSuccinimideME32457911439C072732155116.03532
succinoyltaurine-ME324580--2572224.02343
succinylcarnitine (C4-DC)CAR DC4:0ME32458171464481-2291262.12852
sucroseSucroseME3245825988C00089865341.10894
sulfate*SulfateME3245871118C0005961696.9601
sulfate of piperine metabolite C16H19NO3 (2)*-ME324583--4112352.08601
sulfate of piperine metabolite C16H19NO3 (3)*-ME324584--4200352.08601
sulfate of piperine metabolite C18H21NO3 (1)*-ME324585--4481378.10167
sulfate of piperine metabolite C18H21NO3 (3)*-ME324586--4630378.10167
tartarateTartaric acidME324588444305C00898615.3149.00916
tartronate (hydroxymalonate)Hydroxypropanedioic acidME32458945C022873700118.99859
taurineTaurineME3245901123C00245660126.02195
taurochenodeoxycholateTaurochenodeoxycholic acidME324591387316C054655250498.28948
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME324592--4809288.61951
taurocholateTaurocholic acidME3245936675C051225150514.28439
taurocholenate sulfate*Taurocholenate sulfateME324594--4750279.61422
taurodeoxycholateTaurodeoxycholic acidME3245952733768C054635257.4498.28948
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME324596--4850288.61951
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME324597440071C036425027280.62205
tetradecadienedioate (C14:2-DC)*-ME324598--3148253.14453
tetradecadienoate (14:2)*Tetradecadienoic acidME3245995312409-5292223.17035
tetradecanedioate (C14-DC)Tetradecanedioic acidME32460013185-3985257.17583
tetrahydrocortisol sulfate (1)-ME324601--4276445.19016
theobromineTheobromineME3246025429C074801600181.07201
theophyllineTheophyllineME3246032153C071302356.9179.05745
thioprolineThioprolineME32460493176-1250134.02703
threonateThreonic acidME324605151152C016202384135.02989
threonineThreonineME3246066288C001881514120.06552
thymol sulfate-ME324607-C099084410229.054
thyroxineThyroxineME3246085819C018294808775.67944
tiglylcarnitine (C5:1-DC)CAR DC5:1ME32460922833596-2962244.15434
tramadolTramadolME32461033741C071533288264.19581
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3246115810C011571064132.06552
trans-urocanateUrocanic acidME324612736715C007851882.5137.03565
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME324613--3200801.68441
tridecenedioate (C13:1-DC)*-ME324614--3051241.14453
trigonelline (N'-methylnicotinate)TrigonellineME3246155570C010041388138.05496
trimethylamine N-oxideTrimethylamine N-oxideME3246161145C01104210076.07569
tryptophanTryptophanME3246176305C000782986205.09716
tryptophan betaineLenticinME324618442106C092132673247.14411
tyramine O-sulfateTyramine-O-sulfateME324619153005-1565216.0336
tyrosineTyrosineME3246206057C000822430182.08117
umbelliferone sulfateUmbelliferone sulfateME324621129659-2440240.98123
undecanedioate (C11-DC)Undecanedioic acidME32462215816-2440215.12888
undecenoylcarnitine (C11:1)CAR 11:1ME324623--1069328.24824
uracilUracilME3246241174C001061089.7111.02
urateUric acidME3246251175C00366757.1167.02106
ureaUreaME3246261176C00086700121.07201
uridineUridineME3246276029C002991457.6243.06226
ursodeoxycholateUrsodeoxycholic acidME32462831401C078805055391.28538
valineValineME3246296287C001832479118.08626
valylglycineVal-GlyME324630136487-1506173.09316
vanillactateVanillactic acidME324631160637-1625211.06119
vanillic acid glycine-ME3246323083688-1682224.05644
vanillylmandelate (VMA)Vanillylmandelic acidME3246331245C05584941197.04555
venlafaxineVenlafaxineME3246345656C07187848278.21146
verapamilVerapamilME3246352520D02356945455.29044
warfarinWarfarinME324636-C015413790307.09758
xanthineXanthineME3246371188C003852023151.02615
xanthurenateXanthurenic acidME3246385699C024702236206.04479
ximenoylcarnitine (C26:1)*CAR 26:1ME324639--1607538.48299
xyloseXyloseME324640135191C001811727195.05103
zolpidemZolpidemME324641--3346308.17574


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