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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME2758045312435---
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME2758055312513---
10-undecenoate (11:1n1)10-Hendecenoic acidME27580614891C13910--
1-(1-enyl-oleoyl)-GPE (P-18:1)LPE P-18:1 or LPE O-18:2ME275786----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME275787----
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)PC P-16:0/18:2 or PC O-16:1/18:2ME275788----
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)PE P-16:0/18:2 or PE O-16:1/18:2ME275789----
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)PC P-16:0/18:1 or PC O-16:1/18:1ME275790----
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)PE P-16:0/18:1 or PE O-16:1/18:1ME275791----
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)PC P-16:0/16:0 or PC O-16:1/16:0ME27579211146967---
1-(1-enyl-palmitoyl)-GPC (P-16:0)LPC P-16:0 or LPC O-16:1ME27579310917802---
1-(1-enyl-palmitoyl)-GPE (P-16:0)LPE P-16:0 or LPE O-16:1ME275794----
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME2757959547058---
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)PE P-18:0/18:2 or PE O-18:1/18:2ME275796----
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME275797----
1-(1-enyl-stearoyl)-GPE (P-18:0)LPE P-18:0 or LPE O-18:1ME275798----
12,13-DiHOME12,13-DiHOMEME27580710236635C14829--
1,2,3-benzenetriol sulfate (2)-ME275799----
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME2758005288075---
1,2-dilinoleoyl-GPE (18:2/18:2)PE 18:2/18:2ME2758019546812---
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME275802452110---
12-HEPE12-HEPEME27580810041593---
12-HETE12-HETEME2758095312983---
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME275782151014---
13-HODE + 9-HODEHODEME27581043013---
14-HDoHE/17-HDoHE-ME275811----
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME27578317903417---
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME27580364960C07326--
16-hydroxypalmitateJuniperic acidME27581210466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME2757843083779---
1-arachidonoyl-GPC (20:4)LPC 20:4/0:0ME275813-C05208--
1-arachidonoyl-GPE (20:4n6)LPE 20:4/0:0ME27581442607465---
1-arachidonoyl-GPI (20:4)LPI 20:4/0:0ME275815----
1-arachidonylglycerol (20:4)MG 20:4ME2758165282281C13857--
1-carboxyethylisoleucine1-CarboxyethylisoleucineME275817----
1-carboxyethylleucine1-CarboxyethylleucineME275818----
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME275819----
1-carboxyethyltyrosine1-CarboxyethyltyrosineME275820----
1-carboxyethylvaline1-CarboxyethylvalineME275821----
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME275822----
1-docosahexaenoylglycerol (22:6)MG 22:6ME275823----
1-eicosapentaenoylglycerol (20:5)MG 20:5ME275824----
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME275825----
1-linolenoylglycerol (18:3)MG 18:3ME27582653480978---
1-linolenoyl-GPC (18:3)LPC 18:3ME275827----
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)PC 18:2/20:4ME275828----
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)PC 18:2/18:3ME275829----
1-linoleoylglycerol (18:2)MG 18:2ME2758305283469---
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME27583111988421C04100--
1-linoleoyl-GPE (18:2)LPE 18:2/0:0ME27583252925130---
1-linoleoyl-GPG (18:2)LPG 18:2/0:0ME275833----
1-linoleoyl-GPI (18:2)LPI 18:2/0:0ME275834----
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME27583575810C05828--
1-methyladenosine1-MethyladenosineME27628127476C02494--
1-methylguanidineMethylguanidineME27583610111C02294--
1-methylhistamine1-MethylhistamineME2758373614C05127--
1-methylhistidine1-MethylhistidineME27583892105C01152--
1-methylnicotinamide1-Methyl nicotinamideME27583910129985C02918--
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)PC 14:0/20:4ME275840----
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME275841129657---
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)PI 18:1/20:4ME275842----
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)PC 18:1/22:6ME275843----
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)PE 18:1/22:6ME275844----
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)PE 18:1/18:2ME2758459546753---
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME2758465283468---
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME27584716081932---
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME2758489547071---
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME275849----
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)PC 16:1_18:3ME275850----
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)PC 16:1/18:2ME275851----
1-palmitoleoylglycerol (16:1)MG 16:1ME275852----
1-palmitoleoyl-GPC (16:1)LPC 16:1/0:0ME27585324779461---
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME27585410747814---
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)PE 16:0/20:4ME2758559546800---
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)PI 16:0/20:4ME275856----
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME2758576441886---
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)PE 16:0/22:6ME2758589546799---
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)PC 16:0_18:3ME275859----
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME2758605287971---
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME2758619546747---
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME275862----
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME2758636436017---
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME2758645283496---
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)PI 16:0/18:1ME275865----
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)PC 16:0/16:1ME275866----
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME275867----
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME27586814900---
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME27586986554---
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME2758709547069---
1-palmitoyl-GPG (16:0)LPG 16:0/0:0ME2758713300276---
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME275872----
1-pentadecanoylglycerol (15:0)MG 15:0ME275873190750---
1-ribosyl-imidazoleacetateImidazoleacetic acid ribosideME2758745117448C05131--
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME27587516219824---
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME2758765289133---
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME275877----
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME275878----
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)PE 18:0/22:6ME2758799546798---
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)PC 18:0/18:2ME275880----
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)PE 18:0/18:2ME2758819546749---
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME275882----
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME275883----
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME275884----
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME275885497299---
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME2758869547068---
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME275887----
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME275888677C04039--
2,8-quinolinediol sulfate-ME275889----
2-aminoadipatealpha-Aminoadipic acidME275890469C00956--
2-aminobutyrate2-Aminobutyric acidME275891439691C02261--
2-aminoheptanoate2-Aminoheptanoic acidME275892227939---
2-aminooctanoate2-Aminocaprylic acidME27589369522---
2-amino-p-cresol sulfate-ME275894----
2-aminophenol sulfate2-Aminophenyl sulfateME275895181670---
2-butenoylglycine2-ButenoylglycineME2758966303498---
2'-deoxycytidineDeoxycytidineME27589713711C00881--
2'-deoxyuridineDeoxyuridineME27589813712C00526--
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME275899164623---
2-hydroxyadipate2-Hydroxyadipic acidME275900193530C02360--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME275901----
2-hydroxydecanoate2-Hydroxycapric acidME27590221488---
2-hydroxyglutarate2-Hydroxyglutaric acidME27590343C02630--
2-hydroxyhippurate (salicylurate)Salicyluric acidME27590410253C07588--
2-hydroxyoctanoate2-Hydroxyoctanoic acidME27590594180---
2-hydroxyoleate2-Hydroxyoleic acidME2759069796304---
2-hydroxypalmitate2-Hydroxypalmitic acidME27590792836---
2-hydroxystearate2-Hydroxystearic acidME27590869417C03045--
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME275909161227C00204--
2-linoleoylglycerol (18:2)MG 18:2ME2759105365676---
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME2759116426901---
2-methylbutyrylglycine (C5)2-MethylbutyrylglycineME275912193872---
2-methylcitrate/homocitrateHomocitric acidME275913----
2-naphthol sulfate2-Naphthyl sulfateME27591474428---
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME2759155319879---
2'-O-methylcytidine2'-O-MethylcytidineME275916150971---
2'-O-methyluridine2'-O-MethyluridineME275917102212---
2-oxindole-3-acetate2-Oxindole-3-acetateME2759183080590---
2-oxoadipateOxoadipic acidME27591971C00322--
2-oxoarginine2-OxoarginineME275920558C03771--
2-palmitoleoyl-GPC (16:1)LPC 0:0/16:1ME275921----
2-palmitoyl-GPC (16:0)LPC 0:0/16:0ME27592215061532---
2-stearoyl-GPE (18:0)LPE 0:0/18:0ME275923----
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME27592491C11457--
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME275925187488---
3,4-dihydroxyphenylacetate sulfate3,4-Dihydroxyphenylacetate sulfateME275928193283---
3-(4-hydroxyphenyl)lactate (HPLA)4-Hydroxyphenyllactic acidME2759269378C03672--
3-(4-hydroxyphenyl)propionateDesaminotyrosineME27592710394C01744--
3-acetylphenol sulfate3-Acetylphenol sulfateME275929----
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME275930194501---
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME275931123979---
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME275932188979---
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME2759331662C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME275934151913---
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME275935441C01089--
3-hydroxybutyroylglycine-ME275936----
3-hydroxybutyrylcarnitine (1)CAR 4:0;3OHME27593753481617---
3-hydroxybutyrylcarnitine (2)CAR 4:0;3OHME275938----
3-hydroxycinnamate sulfate3-Hydroxycinnamate sulfateME2759396443141---
3-hydroxydecanoate3-Hydroxydecanoic acidME27594026612---
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME275941151492---
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME27594287C06001--
3-hydroxylaurate3-Hydroxydodecanoic acidME27594394216---
3-hydroxyoctanoate3-Hydroxyoctanoic acidME27594426613---
3-hydroxyoleate-ME275945----
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME275946----
3-hydroxypalmitoylcarnitineCAR 16:0;3OHME275947----
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME275948----
3-hydroxysebacate3-Hydroxysebacic acidME2759493017884---
3-hydroxystearate3-Hydroxystearic acidME2759505282907---
3-indoxyl sulfateIndoxyl sulfateME27595110258---
3-methoxytyrosine3-MethoxytyrosineME2759521670---
3-methyl-2-oxobutyrateKetoisovaleric acidME27595349C00141--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME27595447C00671--
3-methyladipate3-Methyladipic acidME27595512292---
3-methylcrotonylglycine3-MethylcrotonylglycineME275956169485---
3-methylcytidine3-MethylcytidineME275957159649---
3-methylglutaconate3E-Methylglutaconic acidME2759581551553---
3-methylglutarate/2-methylglutarateMethylglutaric acidME275959----
3-methylhistidine3-MethylhistidineME27596064969C01152--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME275961107C05629--
3-phosphoglycerate3-Phosphoglyceric acidME275962724C00597--
3-ureidopropionateUreidopropionic acidME275963111C02642--
4-acetamidobutanoate4-Acetamidobutanoic acidME27596418189C02946--
4-acetylphenyl sulfate4-Acetylphenyl sulfateME2759654684006---
4-cholesten-3-oneCholestenoneME27596691477C00599--
4-ethylphenyl sulfate4-EthylphenolME275967-C13637--
4-guanidinobutanoate4-Guanidinobutanoic acidME275968500C01035--
4-hydroxybenzoate4-Hydroxybenzoic acidME275969135C00156--
4-hydroxychlorothalonil4-HydroxychlorothalonilME27597034217---
4-hydroxycinnamatecis-p-Coumaric acidME275971637542C00811--
4-hydroxycinnamate sulfate4-Hydroxycinnamate sulfateME2759726070438---
4-hydroxyhippurate4-Hydroxyhippuric acidME275973151012---
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME275974127C00642--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME275975979C01179--
4-imidazoleacetateImidazoleacetic acidME27597696215C02835--
4-methyl-2-oxopentanoateKetoleucineME27597770C00233--
4-methylcatechol sulfate-ME275978----
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME275979----
4-vinylphenol sulfate4-HydroxystyreneME2759806426766C05627--
5,6-dihydrothymineDihydrothymineME27598193556C00906--
5,6-dihydrouracilDihydrouracilME275982649C00429--
5,6-dihydrouridine5,6-DihydrouridineME27598394312---
5-dodecenoate (12:1n7)5-Dodecenoic acidME2759845312378---
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME275985----
5'- GMPGMPME2761816804C00144--
5-hydroxyhexanoate5-Hydroxycaproic acidME275986170748---
5-hydroxylysine5-HydroxylysineME2759871029C16741--
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME275988440055C03592--
5-methylcytidine5-MethylcytidineME27598992918---
5-methylthioadenosine (MTA)5'-MethylthioadenosineME275990439176C00170--
5-methylthioribose5-MethylthioriboseME275991494---
5-methyluridine (ribothymidine)RibothymidineME275992445408---
5-oxoprolinePyroglutamic acidME2759937405C01879--
6-hydroxyindole sulfate6-Hydroxyindole sulfateME275994----
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME2759953014237---
7-HOCA7alpha-Hydroxy-3-oxo-4-cholestenoic acidME2759963081085C17337--
7-ketodeoxycholate7-Ketodeoxycholic acidME275997188292---
7-methylguanine7-MethylguanineME27599811361C02242--
9,10-DiHOME9,10-DiHOMEME2759999966640C14828--
acetylcarnitine (C2)CAR 2:0ME2760001C02571--
acetylphosphateAcetylphosphateME276001186C00227--
aconitate [cis or trans]cis-Aconitic acidME276002----
adenineAdenineME276003190C00147--
adenosineAdenosineME27600460961C00212--
adipateAdipic acidME276006196C06104--
adipoylcarnitine (C6-DC)CAR DC5:0ME27600771296139---
adrenate (22:4n6)Adrenic acidME2760085497181C16527--
alanineAlanineME2760095950C00041--
allantoinAllantoinME276010204C02350--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME27601183697C03264--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME27601299823---
alpha-ketoglutaramate2-Keto-glutaramic acidME276013----
alpha-ketoglutarate2-Oxoglutaric acidME27601451C00026--
alpha-muricholatealpha-Muricholic acidME2760153083761C17647--
alpha-tocopherolalpha-TocopherolME27601614985C02477--
AMPAMPME2760056083C00020--
anserineAnserineME276017112072C01262--
arabinoseArabinoseME27601866308C00216--
arabitol/xylitolArabitolME2760196912C01904--
arabonate/xylonateArabinonic acid/Xylonic acidME276020----
arachidate (20:0)Arachidic acidME27602110467C06425--
arachidonate (20:4n6)Arachidonic acidME276022444899C00219--
arachidonoylcarnitine (C20:4)CAR 20:4ME276023----
arachidoylcarnitine (C20)CAR 20:0ME276024----
argininateArgininic acidME276025160437---
arginineArginineME276026232C00062--
argininosuccinateArgininosuccinic acidME276027828C03406--
asparagineAsparagineME2760286267C00152--
aspartateAspartic acidME2760295960C00049--
azelate (nonanedioate; C9)Azelaic acidME2760302266C08261--
behenoylcarnitine (C22)CAR 22:0ME276033----
behenoyl dihydrosphingomyelin (d18:0/22:0)SM 18:0;O2/22:0ME276031----
behenoyl sphingomyelin (d18:1/22:0)SM 18:1;O2/22:0ME276032----
benzoateBenzoic acidME276034243C00180--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME27603569362---
betaineBetaineME276036247C00719--
beta-muricholatebeta-Muricholic acidME2760375283853C17726--
beta-sitosterolSitosterolME276038222284C01753--
betonicineBetonicineME276039164642C08269--
bilirubinBilirubinME2760415280352C00486--
bilirubin (E,E)BilirubinME2760405315454---
biliverdinBiliverdinME2760425353439C00500--
biopterinBiopterinME276043445040C06313--
butyrylcarnitine (C4)CAR 4:0ME276044439829C02862--
butyrylglycine (C4)N-ButyrylglycineME27604588412---
caffeic acid sulfate-ME276046----
campesterolCampesterolME276047173183C01789--
caprate (10:0)Capric acidME2760482969C01571--
caproate (6:0)Caproic acidME2760498892C01585--
caprylate (8:0)Caprylic acidME276050379C06423--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME2760512572---
carnitineCarnitineME27605210917C00318--
carnosineCarnosineME276053439224C00386--
carotene diol (1)Carotene diolME276054----
carotene diol (2)Carotene diolME276055----
catechol sulfateCatechol sulfateME2760563083879---
ceramide (d16:1/24:1, d18:1/22:1)Cer 40:2;O2ME276057----
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)Cer 38:1;O2ME276058----
ceramide (d18:2/24:1, d18:1/24:2)Cer 42:3;O2ME276059----
C-glycosyltryptophanC-GlycosyltryptophanME27606010981970---
chenodeoxycholateChenodeoxycholic acidME27606110133C02528--
chiro-inositol1D-chiro-InositolME276062-C19891--
cholateCholic acidME276063221493C00695--
cholesterolCholesterolME27606411025495C00187--
cholineCholineME276065305C00114--
cinnamoylglycineCinnamoylglycineME276067709625---
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME276068----
cis-urocanateUrocanic acidME2760691549103---
citrateCitric acidME276070311C00158--
citrullineCitrullineME2760719750C00327--
CMPCMPME2760846131C00055--
corticosteroneCorticosteroneME2760725753C02140--
creatineCreatineME276073586C00300--
creatine phosphatePhosphocreatineME276074587C02305--
creatinineCreatinineME276075588C00791--
cystathionineCystathionineME276076439258C02291--
cysteineCysteineME2760775862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME2760804247235---
cysteine s-sulfateCysteine-S-sulfateME276078115015C05824--
cysteine sulfinic acid3-Sulfino-alanineME276079109C00606--
cysteinylglycine disulfideCysteinylglycine disulfideME276081----
cystineCystineME27608267678C00491--
cytidineCytidineME2760836175C00475--
cytosineCytosineME276085597C00380--
daidzeinDaidzeinME2760865281708C10208--
daidzein 7-O-glucuronideDaidzein 7-O-glucuronideME27608711316354---
daidzein sulfate (1)-ME276088----
daidzein sulfate (2)-ME276089----
decanoylcarnitine (C10)CAR 10:0ME27609010245190---
deoxycarnitine3-DehydroxycarnitineME276091134C01181--
deoxycholateDeoxycholic acidME276092222528C04483--
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])DG 34:3ME276093----
dihomolinoleate (20:2n6)11Z,14Z-Eicosadienoic acidME2760946439848C16525--
dihomolinolenate (20:3n3 or 3n6)Eicosatrienoic acidME2760955280581C03242--
dihomo-linolenoylcarnitine (C20:3n3 or 6)CAR 20:3ME276096----
dihomo-linoleoylcarnitine (C20:2)CAR 20:2ME276097----
dihydroorotate4,5-Dihydroorotic acidME276098648C00337--
dimethylarginine (ADMA + SDMA)DimethylarginineME276099123831C03626--
dimethylglycineDimethylglycineME276100673C01026--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME2761015282807C16533--
docosadioate (C22-DC)Docosanedioic acidME276102244872C19625--
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME276103445580C06429--
docosahexaenoylcarnitine (C22:6)CAR 22:6ME276104----
docosapentaenoate (DPA; 22:5n3)DPAME2761056441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME2761066441454C16513--
docosapentaenoylcarnitine (C22:5n3)CAR 22:5ME276107----
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME2761085312556C16534--
dodecadienoate (12:2)Dodecadienoic acidME276109----
dodecanedioate (C12)Dodecanedioic acidME27611012736C02678--
dodecenedioate (C12:1-DC)Traumatic acidME276111----
ectoineEctoineME276112126041C06231--
eicosanedioate (C20-DC)Eicosanedioic acidME27611375502---
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME276114446284C06428--
eicosenoate (20:1n9 or 1n11)cis-Gondoic acidME2761155282768C16526--
eicosenoylcarnitine (C20:1)CAR 20:1ME276116----
equol glucuronide-ME276117----
equol sulfate-ME276118----
ergothioneineErgothioneineME2761193032311C05570--
erucate (22:1n9)cis-Erucic acidME2761205281116C08316--
erythronateErythronic acidME2761212781043---
ethyl glucuronideEthyl glucuronideME276122152226---
ethylmalonateEthylmalonic acidME27612311756---
FADFADME276125643975C00016--
ferulic acid 4-sulfateFerulic acid 4-sulfateME2761246305574---
formiminoglutamateFormiminoglutamic acidME276126439233C00439--
fructoseFructoseME2761275984C00095--
fumarateFumaric acidME276128444972C00122--
galactonateGalactonic acidME276129128869C00880--
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME276130----
gamma-glutamylalaninegamma-GlutamylalanineME276131440103---
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME27613265254---
gamma-glutamylcitrulline-ME276133----
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME2761347015685---
gamma-glutamylglutamategamma-Glutamylglutamic acidME27613592865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME276136150914C05283--
gamma-glutamylglycinegamma-GlutamylglycineME276137165527---
gamma-glutamylhistidinegamma-GlutamylhistidineME2761387017195---
gamma-glutamylisoleucinegamma-GlutamylisoleucineME27613914253342---
gamma-glutamylleucinegamma-GlutamylleucineME276140151023---
gamma-glutamylmethioninegamma-GlutamylmethionineME2761417009567---
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME276142111299---
gamma-glutamylthreoninegamma-GlutamylthreonineME27614376078708---
gamma-glutamyltryptophangamma-GlutamyltryptophanME2761443989307---
gamma-glutamyltyrosinegamma-GlutamyltyrosineME27614594340---
gamma-glutamylvalinegamma-GlutamylvalineME2761467015683---
gamma-tocopherol/beta-tocopherolbeta-tocopherolME276147----
genisteinGenisteinME2761485280961C06563--
genistein glucuronide-ME276149----
genistein sulfate-ME276150----
gentisateGentisic acidME2761513469C00628--
gluconateGluconic acidME27615210690C00257--
glucoseGlucoseME27615379025C00031--
glucuronateGlucuronic acidME276154444791C00191--
glucuronide of C14H22O4 (2)-ME276155----
glutamateGlutamic acidME276156611C00025--
glutamineGlutamineME2761575961C00064--
glutarate (C5-DC)Glutaric acidME276158743C00489--
glutaroylcarnitine (C5)CAR DC5:0ME27615971464488---
glutathione, oxidized (GSSG)Oxidized glutathioneME27616065359C00127--
glycerateGlyceric acidME276161752C00258--
glycerolGlycerolME276162753C00116--
glycerol 3-phosphatesn-Glycero-3-phosphateME276163754C00093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME276164123874C01233--
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME276165439964C03274--
glycerophosphoinositolsn-Glycero-3-phosphoinositolME276166167572---
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME27616771920C00670--
glycineGlycineME276168750C00037--
glycolate (hydroxyacetate)Glycolic acidME276169757C00160--
glycosyl ceramide (d16:1/24:1, d18:1/22:1)HexCer 40:2;O2ME276170----
glycosyl ceramide (d18:1/20:0, d16:1/22:0)HexCer 38:1;O2ME276171----
glycosyl ceramide (d18:1/23:1, d17:1/24:1)HexCer 41:2;O2ME276172----
glycosyl ceramide (d18:2/24:1, d18:1/24:2)HexCer 42:3;O2ME276173----
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)HexCer 18:2;O2/22:0ME276174----
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)HexCer 18:1;O2/24:1ME276175----
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME276176----
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME276177----
glycylvalineGly-ValME27617897417---
guanidinoacetateGuanidoacetic acidME276179763C00581--
guanosineGuanosineME2761806802C00387--
gulonateGulonic acidME2761829794176C00257--
hemeHemeME27618326945C00032--
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME27618411998573---
heptanoate (7:0)Heptylic acidME2761858094C17714--
heptanoyl glycineN-HeptanoylglycineME27618610932172---
heptenedioate (C7:1-DC)-ME276187----
hexadecadienoate (16:2n6)Hexadecadienoic acidME276188----
hexadecanedioate (C16)Hexadecanedioic acidME27618910459C19615--
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME2761905312428---
hexadecenedioate (C16:1-DC)-ME276191----
hexanoylcarnitine (C6)CAR 6:0ME2761926426853---
hexanoylglycine (C6)HexanoylglycineME27619399463---
hippurateHippuric acidME276194464C01586--
histamineHistamineME276195774C00388--
histidineHistidineME2761966274C00135--
histidine betaine (hercynine)HercynineME2761973083620---
homoarginineHomoarginineME2761989085C01924--
homocitrullineHomocitrullineME27619965072C02427--
homostachydrine(S)-HomostachydrineME276200441447C08283--
homovanillate sulfateHomovanillic acidME27620129981063---
hydantoin-5-propionateHydantoin-5-propionic acidME276202782C05565--
hydroxyasparagineHydroxyasparagineME27620397663C03124--
hydroxyprolineHydroxyprolineME2764905810C01157--
hyodeoxycholateHyodeoxycholic acidME2762045283820C15517--
hypotaurineHypotaurineME276205107812C00519--
hypoxanthineHypoxanthineME276206790C00262--
imidazole lactateImidazolelactic acidME276207440129C05568--
imidazole propionateImidazole propanoateME27620870630---
indole-3-carboxylateIndole-3-carboxylic acidME27620969867C19837--
indoleacetateIndoleacetic acidME276210802C00954--
indoleacetylglycineN-IndoleacetylglycineME276211446640---
indoleacrylateIndoleacrylic acidME27621215030923---
indolelactateIndolelactic acidME27621392904C02043--
indolepropionate3-Indolepropionic acidME2762143744---
indolepropionylglycineIndolepropionylglycineME2762157677842---
indoxyl glucuronideInodxyl glucuronideME2762162733785---
inosineInosineME2762176021C00294--
inosine 5'-monophosphate (IMP)IMPME2762188582C00130--
isobutyrylcarnitine (C4)CAR 3:0;2MeME276219168379---
isobutyrylglycine (C4)IsobutyrylglycineME27622010855600---
isocaproylglycineIsocaproylglycineME276221----
isocitrateIsocitric acidME2762221198C00311--
isocitric lactoneIsocitric acid lactoneME27622398259---
isoleucineIsoleucineME2762246306C00407--
isovalerate (C5)Isovaleric acidME27622510430C08262--
isovalerylcarnitine (C5)CAR 4:0;3MeME2762266426851---
isovalerylglycineIsovalerylglycineME276227546304---
kynurenateKynurenic acidME2762283845C01717--
kynurenineKynurenineME276229161166C00328--
lactateLactic acidME276230612C00186--
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME276231----
lanthionineLanthionineME27623298504---
laurate (12:0)Lauric acidME2762333893C02679--
laurylcarnitine (C12)CAR 12:0ME27623410427569---
leucineLeucineME2762356106C00123--
lignoceroylcarnitine (C24)CAR 24:0ME276237----
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME276236----
linoleate (18:2n6)Linoleic acidME2762385280450C01595--
linolenate (18:3n3 or 3n6)Octadecatrienoic acidME2762395280934C06426--
linolenoylcarnitine (C18:3)CAR 18:3ME276240----
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]DG 18:2_20:4ME276242----
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]DG 18:2_20:4ME276243----
linoleoylcarnitine (C18:2)CAR 18:2ME2762446450015---
linoleoylcholinealpha-LinoleoylcholineME276245----
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]DG 18:2_22:6ME276246----
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]DG 18:2_22:6ME276247----
linoleoyl ethanolamideLinoleoyl-EAME2762415283446---
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]DG 18:2_18:3ME276248----
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]DG 18:2_18:3ME276249----
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]DG 18:2_18:2ME276250----
lysineLysineME2762515962C00047--
malateMalic acidME276252525C00149--
maleateMaleic acidME276253444266C01384--
malonateMalonic acidME276254867C00383--
malonylcarnitineCAR DC3:0ME27625522833583---
mannitol/sorbitolSorbitolME2762565780C00794--
mannoseMannoseME27625718950C00159--
margarate (17:0)Margaric acidME27625810465---
margaroylcarnitine (C17)CAR 17:0ME276259----
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME2762605312531---
methionineMethionineME2762616137C00073--
methionine sulfoneMethionine sulfoneME27626269961---
methionine sulfoxideMethionine sulfoxideME276263158980C02989--
methyl glucopyranoside (alpha + beta)Methyl glucoseME276264----
methyl indole-3-acetateIndole-3-methyl acetateME27626574706---
methylmalonate (MMA)Methylmalonic acidME276266487C02170--
methylnaphthyl sulfate (1)-ME276267----
methylphosphateMethanolphosphateME27626813130---
methylsuccinateMethylsuccinic acidME27626910349---
mevalonateMevalonic acidME276270439230C02104--
mevalonolactoneMevalonolactoneME27627110428---
myo-inositolMyo-inositolME276272892C00137--
myristate (14:0)Myristic acidME27627311005C06424--
myristoleate (14:1n5)Myristoleic acidME2762745281119C08322--
myristoleoylcarnitine (C14:1)CAR 14:1ME27627590659872---
myristoylcarnitine (C14)CAR 14:0ME2762766426854---
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME27627969698C05842--
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME276280440810C05843--
N1-methylinosine1-MethylinosineME27628265095---
(N(1) + N(8))-acetylspermidineAsparagineME275785----
N2-acetyllysineN(2)-AcetyllysineME27628692907C12989--
N-(2-furoyl)glycine2-FuroylglycineME27627721863---
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME27628392919---
N2,N5-diacetylornithineN2,N5-DiacetylornithineME27628410398396---
N2,N6-diacetyllysineN,N'-Diacetyl-lysineME27628591827---
N6-acetyllysineN6-AcetyllysineME27628892832C02727--
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME276289161466---
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME276290123800---
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME276287440120C03793--
N6-succinyladenosineSuccinyladenosineME276291165243---
N-acetyl-1-methylhistidineN-Acetyl-3-methylhistidineME276292193270---
N-acetyl-2-aminooctanoateN-Acetyl-2-aminooctanoic acidME27629395555---
N-acetyl-3-methylhistidineN-Acetyl-3-methylhistidineME276294193270---
N-acetylalanineN-AcetylalanineME27629588064C02847--
N-acetylarginineN-AcetylarginineME27629667427C02562--
N-acetylasparagineN-AcetylasparagineME27629799715---
N-acetylaspartate (NAA)N-Acetylaspartic acidME27629865065C01042--
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME2762995255C12270--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME27630076406C01073--
N-acetylcitrullineN-AcetylcitrullineME276301656979C15532--
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME27630224139---
N-acetylglucosaminylasparagineAspartylglycosamineME276303123826C04540--
N-acetylglutamateN-Acetylglutamic acidME27630470914C00624--
N-acetylglutamineN-AcetylglutamineME276305182230C02716--
N-acetylglycineN-AcetylglycineME27630610972---
N-acetylhistidineN-AcetylhistidineME27630775619C02997--
N-acetylisoleucineN-AcetylisoleucineME2763082802421---
N-acetyl-isoputreanineN-AcetylisoputreanineME276309----
N-acetylkynurenine (2)N-AcetylkynurenineME276310----
N-acetylleucineN-AcetylleucineME27631170912C02710--
N-acetylmethionineN-AcetylmethionineME276312448580C02712--
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME276313193368---
N-acetylneuraminateN-Acetylneuraminic acidME276314439197C00270--
N-acetylphenylalanineN-AcetylphenylalanineME27631574839C03519--
N-acetylputrescineN-AcetylputrescineME276316122356C02714--
N-acetylpyrralineDehydroepiandrosteroneME276317----
N-acetylserineN-AcetylserineME27631865249---
N-acetyltaurineN-AcetyltaurineME276319159864---
N-acetylthreonineN-AcetylthreonineME276320152204---
N-acetyltryptophanN-Acetyl-tryptophanME276321700653C03137--
N-acetyltyrosineN-AcetyltyrosineME27632268310---
N-acetylvalineN-AcetylvalineME27632366789---
N-alpha-acetylornithineN-AcetylornithineME276324439232C00437--
N-behenoyl-sphingadienine (d18:2/22:0)Cer 18:2;O2/22:0ME276325----
N-delta-acetylornithineN(5)-Acetyl-ornithineME2763269920500---
N-formylanthranilic acidFormylanthranilic acidME276327101399C05653--
N-formylmethionineN-FormylmethionineME276328439750C03145--
N-formylphenylalanineN-FormylphenylalanineME276329759256---
N-glycolylneuraminateN-Glycoloylneuraminic acidME276330123802C03410--
nicotinamideNiacinamideME276331936C00153--
nicotinamide N-oxideNicotinamide N-oxideME27633272661---
nicotinate ribonucleosideD-RibosylnicotinateME276333161234C05841--
nisinate (24:6n3)THAME27633411792612---
N-linoleoyltaurineN-Linoleoyl taurineME276335----
N-methylprolineN-Methyl-prolineME276336557---
N-monomethylarginineTarginineME276337132862C03884--
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME276278----
N-octanoylglycineCapryloylglycineME27633884290---
N-oleoyltaurineN-Oleoyl taurineME2763396437033---
nonadecanoate (19:0)Nonadecylic acidME27634012591C16535--
N-palmitoylglycineN-Palmitoyl glycineME276341151008---
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME2763425283572---
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME2763435283564---
N-palmitoyltaurineN-Palmitoyl taurineME276344----
N-stearoyl-sphingosine (d18:1/18:0)Cer 18:1;O2/18:0ME2763455283565---
N-stearoyltaurineN-Stearoyl taurineME276346168274---
o-cresol sulfateo-Cresol sulfateME27634711615528---
octadecadienedioate (C18:2-DC)Octadecanedioic acidME276348----
octadecanedioylcarnitine (C18-DC)CAR DC18:0ME276349----
octadecenedioate (C18:1-DC)-ME276350----
octadecenedioylcarnitine (C18:1-DC)CAR DC18:1ME276351----
octanoylcarnitine (C8)CAR 8:0ME276352123701C02838--
oleate/vaccenate (18:1)Oleic acidME276353----
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]DG 18:1_20:4ME276354----
oleoylcarnitine (C18)CAR 18:1ME2763556441392---
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME276356----
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME276357----
oleoyl-oleoyl-glycerol (18:1/18:1) [2]DG 18:1_18:1ME276358----
ophthalmateOphthalmic acidME2763597018721---
ornithineOrnithineME2763606262C00077--
orotateOrotic acidME276361967C00295--
orotidineOrotidineME27636292751---
O-sulfo-L-tyrosineSulfotyrosineME276363514186---
oxalate (ethanedioate)Oxalic acidME276364971C00209--
palmitate (16:0)Palmitic acidME276365985C00249--
palmitoleate (16:1n7)Palmitoleic acidME276366445638C08362--
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]DG 16:1_20:4ME276367----
palmitoleoylcarnitine (C16:1)CAR 16:1ME27636871464547---
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]DG 16:1_18:2ME276369----
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]DG 16:0_20:4ME276372----
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]DG 16:0_20:4ME276373----
palmitoylcarnitine (C16)CAR 16:0ME276374461C02990--
palmitoylcholinePalmitoylcholineME276375151731---
palmitoyl dihydrosphingomyelin (d18:0/16:0)SM 18:0;O2/16:0ME2763709939965---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]DG 16:0_18:2ME2763769543695---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]DG 16:0_18:2ME276377----
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME2763719939941---
pantothenate (Vitamin B5)Pantothenic acidME2763786613C00864--
p-cresol glucuronideP-Cresol glucuronideME276379154035---
p-cresol sulfatep-Cresol sulfateME2763804615423---
pentadecanoate (15:0)Pentadecylic acidME27638113849C16537--
pentadecanoylcarnitine (C15)CAR 15:0ME276382----
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME27638374483C18142--
phenol glucuronidePhenyl glucuronideME27638487235---
phenol sulfatePhenyl hydrogen sulfateME27638574426C02180--
phenylacetatePhenyl acetateME276386999C07086--
phenylacetylglycinePhenylacetylglycineME27638768144C05598--
phenylalaninePhenylalanineME2763886140C00079--
phenyllactate (PLA)Phenyllactic acidME2763893848C05607--
phenylpropionylglycinePhenylpropionylglycineME276390152323---
phenylpyruvatePhenylpyruvic acidME276391997C00166--
phosphatePhosphoric acidME2763921061C00009--
phosphocholineCholine phosphateME2760661014C00588--
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME2763931005C00074--
phosphoethanolamine (PE)PhosphoethanolamineME2763941015C00346--
picolinatePicolinic acidME2763951018C10164--
pimelate (C7-DC)Pimelic acidME276396385C02656--
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME276397----
pipecolatePipecolic acidME276398849C00408--
prolineProlineME276400145742C00148--
prolylglycinePro-GlyME2764016426709---
prolylhydroxyprolinePro-hydroxyProME27639911673055---
propionylcarnitine (C3)CAR 3:0ME276402107738C03017--
propionylglycine (C3)PropionylglycineME27640398681---
pseudouridinePseudouridineME27640415047C02067--
putrescinePutrescineME2764051045C00134--
pyridoxalPyridoxalME2764061050C00250--
pyridoxate4-Pyridoxic acidME2764076723C00847--
pyroglutaminePyroglutamineME276408134508---
pyrralinePyrralineME276409122228---
pyruvatePyruvic acidME2764101060C00022--
quinateQuinic acidME2764116508C00296--
quinolinateQuinolinic acidME2764121066C03722--
retinalRetinalME276413638015C00376--
retinol (Vitamin A)RetinolME276414445354C00473--
ribitolRibitolME2764156912C00474--
ribonate (ribonolactone)Ribonic acidME2764165460677C01685--
riboseRiboseME2764175779C00121--
ribulonate/xylulonate-ME276418----
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME2764193371179---
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME276420439155C00021--
salicylateSalicylic acidME276421338C00805--
sarcosineSarcosineME2764221088C00213--
sebacate (C10-DC)Sebacic acidME2764235192C08277--
serineSerineME2764245951C00065--
serotoninSerotoninME2764255202C00780--
S-methylcysteineMethylcysteineME27642624417---
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME27642782142---
S-methylglutathioneS-MethylglutathioneME2764283605667C11347--
spermidineSpermidineME2764291102C00315--
sphingadienineSphingadienineME2764306449795---
sphinganineSphinganineME2764313126C00836--
sphinganine-1-phosphateSphinganine 1-phosphateME276432520---
sphingomyelin (d17:1/14:0, d16:1/15:0)SM 31:1;O2ME276433----
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)SM 33:1;O2ME276434----
sphingomyelin (d17:2/16:0, d18:2/15:0)SM 33:2;O2ME276435----
sphingomyelin (d18:0/18:0, d19:0/17:0)SM 36:0;O2ME276436----
sphingomyelin (d18:1/14:0, d16:1/16:0)SM 32:1;O2ME27643711433862---
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME276438----
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME2764396443882---
sphingomyelin (d18:1/19:0, d19:1/18:0)SM 37:1;O2ME276440----
sphingomyelin (d18:1/20:0, d16:1/22:0)SM 38:1;O2ME276441----
sphingomyelin (d18:1/20:1, d18:2/20:0)SM 38:2;O2ME276442----
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)SM 39:1;O2ME276443----
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)SM 40:2;O2ME276444----
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)SM 40:3;O2ME276445----
sphingomyelin (d18:1/24:1, d18:2/24:0)SM 42:2;O2ME276446----
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME276447----
sphingomyelin (d18:2/14:0, d18:1/14:1)SM 32:2;O2ME276448----
sphingomyelin (d18:2/16:0, d18:1/16:1)SM 34:2;O2ME276449----
sphingomyelin (d18:2/18:1)SM 18:2;O2/18:1ME276450----
sphingomyelin (d18:2/21:0, d16:2/23:0)SM 39:2;O2ME276451----
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)SM 41:2;O2ME276452----
sphingomyelin (d18:2/23:1)SM 18:2;O2/23:1ME276453----
sphingomyelin (d18:2/24:1, d18:1/24:2)SM 42:3;O2ME276454----
sphingomyelin (d18:2/24:2)SM 18:2;O2/24:2ME276455----
sphingosineSphingosineME2764565353955C00319--
sphingosine 1-phosphateSphingosine 1-phosphateME2764575283560C06124--
stachydrineStachydrineME276458115244C10172--
stearidonate (18:4n3)Stearidonic acidME2764595312508C16300--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]DG 18:0_20:4ME276461----
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]DG 18:0_20:4ME276462----
stearoylcarnitine (C18)CAR 18:0ME2764636426855---
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]DG 18:0_18:2ME276464----
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME2764606453725C00550--
suberate (C8-DC)Suberic acidME27646510457C08278--
suberoylcarnitine (C8-DC)CAR DC8:0ME276466----
succinateSuccinic acidME2764671110C00042--
succinylcarnitine (C4)CAR DC4:0ME27646871464481---
sucroseSucroseME2764695988C00089--
sulfate-ME2764701118C00059--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME27647145C02287--
taurineTaurineME2764721123C00245--
tauro-alpha-muricholateTauro-alpha-muricholic acidME276473----
tauro-beta-muricholateTauro-beta-muricholic acidME276474168408---
taurochenodeoxycholateTaurochenodeoxycholic acidME276475387316C05465--
taurocholateTaurocholic acidME2764766675C05122--
taurodeoxycholateTaurodeoxycholic acidME2764772733768C05463--
taurohyodeoxycholic acidTaurohyodeoxycholic acidME276478119046---
tauroursodeoxycholateTauroursodeoxycholic acidME2764799848818---
tetradecanedioate (C14)Tetradecanedioic acidME27648013185---
thiamin (Vitamin B1)ThiamineME2764811130C00378--
thioprolineThioprolineME27648293176---
threonateThreonic acidME276483151152C01620--
threonineThreonineME2764846288C00188--
thymidineThymidineME2764855789C00214--
thymineThymineME2764861135C00178--
thyroxineThyroxineME2764875819C01829--
tigloylglycineTiglylglycineME2764886441567---
trans-2-hexenoylglycine-ME276489----
trans-urocanateUrocanic acidME276491736715C00785--
tricarballylate1,2,3-Propanetricarboxylic acidME27649214925C19806--
tricosanoyl sphingomyelin (d18:1/23:0)SM 18:1;O2/23:0ME276493----
trigonelline (N'-methylnicotinate)TrigonellineME2764945570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME2764951145C01104--
trizma acetate2-Amino-2-methylol-propane-1,3-diolME2764966503C07182--
tryptophanTryptophanME2764976305C00078--
tyrosineTyrosineME2764986057C00082--
UMPUMPME2765046030C00105--
undecanedioate (C11-DC)Undecanedioic acidME27649915816---
uracilUracilME2765001174C00106--
urateUric acidME2765011175C00366--
ureaUreaME2765021176C00086--
uridineUridineME2765036029C00299--
ursodeoxycholateUrsodeoxycholic acidME27650531401C07880--
valerylglycine (C5)ValerylglycineME2765064737557---
valineValineME2765076287C00183--
xanthineXanthineME2765081188C00385--
xanthosineXanthosineME27650964959C01762--
xanthurenateXanthurenic acidME2765105699C02470--
xyloseXyloseME276511135191C00181--


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