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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-Deoxymethynolide10-DeoxymethynolideME163218-C119931.1252754-
11-amino-undecanoic acid11-Aminoundecanoic acidME161712-C193251.3436909-
11-amino-undecanoic acid + 1.421848911-Aminoundecanoic acidME161734-C193251.4218489-
11-amino-undecanoic acid + 5.230831611-Aminoundecanoic acidME162271-C193255.2308316-
(±)11-HEDE-ME161290--1.0772122-
12,13S-epoxy-9Z,11-octadecadienoic acid-ME161330-C045941.093414-
12,13S-epoxy-9Z,11-octadecadienoic acid + 1.229105...-ME163230-C045941.2291057-
1,2,3-Trimethylbenzene1,2,3-TrimethylbenzeneME161460-C145181.1510674-
1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-di...-ME162322--5.6232924-
12a-Hydroxyrotenonecis-RotenoloneME163087-C104643.0461662-
1,2-Diacetylhydrazine-ME163184-C166227.153519-
1,2-Diamino-4-nitrobenzene-ME163078-C193842.2973633-
12-oxo-10E-dodecenoic acidTraumatinME161400-C163091.1337296-
12-trans-Hydroxy juvenile hormone III-ME161407-C165081.1292775-
13(S)-HpODE13S-HpODEME161632-C047171.2239071-
16(S)-HETE-ME163326--1.1067971-
17,20-dimethyl Prostaglandin F1?-ME161563--1.2337272-
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acet...-ME161918-C149552.1612184-
17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5a...-ME161306-C149191.0802852-
17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one...-ME162329-C153315.6339655-
17-Ethynyl-10-hydroxy-19-nortestosterone-ME161393-C146701.1299831-
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diac...-ME161394-C149471.1271217-
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-oct...-ME162168--4.619491-
19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-d...-ME162538--6.4168506-
1-AGMG 20:4ME162292-C138575.4568133-
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME162790--7.1051326-
1-Aminocyclohexanecarboxylic acid + 7.54767941-Azaniumylcyclohexane-1-carboxylateME162859--7.5476794-
1-Aminocyclohexanecarboxylic acid + 8.4010591-Azaniumylcyclohexane-1-carboxylateME162920--8.401059-
1-Hydroxy-2-acetamidofluorene-ME162464-C144816.1592774-
1-Methoxypyrene-6,7-oxide-ME163077-C182622.3022802-
1-Methyladenine1-MethyladenineME163367-C022165.6857085-
1-methylhistidine1-MethylhistidineME162081-C011524.2162795-
1-Nitronaphthalene-5,6-oxide-ME162182-C148004.657124-
1-Phenyl-2-(diethylamino)-1-propanol-ME161820--1.7104056-
21-Hydroxy-5?-pregnane-3,11,20-trione21-Hydroxy-5beta-pregnane-3,11,20-trioneME161560-C054771.2327633-
(22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)...-ME161384--1.1040775-
2,3-dinor-11b-PGF2?2,3-Dinor-11beta-PGF2alphaME162996-C147941.1282063-
2-(3'-Methylthio)propylmalic acid2-(3-Methylthiopropyl)malic acidME161220-C172141.0295202-
2-(3'-Methylthio)propylmalic acid + 1.04499852-(3-Methylthiopropyl)malic acidME161229-C172141.0449985-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid-ME161753--1.4736587-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + ...-ME161872--1.8877333-
24,25-epoxy-cholesterol24,25-EpoxycholesterolME161374-C156321.1148764-
2,4,6,8-decatetraenal2,4,6,8-DecatetraenalME161404--1.1285329-
2,4-Dihydroxybenzophenone2,4-DihydroxybenzophenoneME161831-C142151.7193168-
26-Hydroxycastasterone-ME161398-C198731.133569-
2-(6'-Methylthio)hexylmalic acid-ME162873-C172267.648919-
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17b...2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diolME161314-C149701.0844821-
(2-Chlorophenyl)diphenylmethane(2-Chlorophenyl)diphenylmethaneME162592--6.6523366-
2-Cyanopyridine2-CyanopyridineME162875-C022217.6488957-
2'-DeoxyuridineDeoxyuridineME161808-C005261.6537197-
2-Fluoroaniline2-FluoroanilineME161937-C110102.2883675-
2-Fluoroaniline + 1.58722912-FluoroanilineME163054-C110101.5872291-
2-Formyl-1-indanone-ME162840-C077197.342805-
2'-Hydroxydihydrodaidzein2'-HydroxydihydrodaidzeinME161840-C035671.7302556-
2-Hydroxyfelbamate2-HydroxyfelbamateME162541-C165826.4073725-
2-Methylbutyrylglycine2-MethylbutyrylglycineME161887--1.941181-
2'-O-Methyladenosine2'-O-MethyladenosineME162537-C047796.399857-
2-oxo-5-amino-pentanoic acid5-Amino-2-oxopentanoic acidME162694-C011106.83269-
2-Oxo-9-methylthiononanoic acid-ME163049-C172281.5723234-
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate-ME163017-C071591.2087672-
2R-amino-butanoic acid + 6.822182R-Aminobutyric acidME162702-C022616.82218-
2S-amino-pentanoic acid2S-Aminopentanoic acidME161767-C018261.5343401-
2S-amino-pentanoic acid + 1.93245122S-Aminopentanoic acidME161885-C018261.9324512-
2S-amino-pentanoic acid + 6.3198232S-Aminopentanoic acidME162507-C018266.319823-
2S-amino-pentanoic acid + 6.6566932S-Aminopentanoic acidME162614-C018266.656693-
2S-amino-pentanoic acid + 6.9598812S-Aminopentanoic acidME162755-C018266.959881-
2S-amino-tridecanoic acid2S-Aminotridecanoic acidME162100-C137954.27988-
2S-amino-tridecanoic acid + 6.560592S-Aminotridecanoic acidME162563-C137956.56059-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid-ME161282--1.0725418-
3,3'-Biflaviolin3,3'-BiflaviolinME161807-C180131.6538016-
3,4-Dihydroxybenzylamine3,4-DihydroxybenzylamineME161842--1.7464333-
3-(a-Naphthoxy)lactic acid glucuronide-ME161973--2.9584527-
3b,17a,21-Trihydroxypregnenone3beta,17alpha,21-Trihydroxy-pregnenoneME161724-C054871.3938074-
3b,17a,21-Trihydroxypregnenone + 1.45725513beta,17alpha,21-Trihydroxy-pregnenoneME161755-C054871.4572551-
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4a...3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehydeME161244-C115091.0519689-
3-Buten-1-amine3-Buten-1-amineME162504-C122446.3197694-
3-Butynoate3-Butynoic acidME162860-C061447.5481524-
3-Butynoate + 1.0914893-Butynoic acidME163208-C061441.091489-
3-Cyano-L-alanineDihydrouracilME162463-C025126.1465983-
3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid-ME163327--1.1548241-
3-Hydroxy-4-methoxyphenylacetic acid-ME162958--0.9300586-
3-Hydroxy-4-methylanthranilate-ME161851-C039861.8311125-
3-Hydroxy-palmitic acid methyl esterCyclopamineME163413-C118491.2287426-
3-Hydroxysuberic acid3-Hydroxysuberic acidME161769--1.5365499-
3-Imidazole-2-oxopropanoate3-Imidazol-1-yl-2-oxopropanoic acidME161939-C037622.2981129-
3-Indoleacetic AcidIndoleacetic acidME162003-C009543.34169-
3-ketosphinganine3-KetosphinganineME161564-C029341.2340895-
3-ketosphingosine3-KetosphingosineME161522-C061211.2158562-
3-methoxy Prostaglandin F1?-ME161504--1.1862227-
3-Methyl-2-butenoic acidbeta,beta-Dimethyl acrylic acidME161509--1.1939839-
3-Methyl-quinolin-2-ol-ME162245-C063454.931611-
3-O-Methylanhydrotuberosin3-O-MethylanhydrotuberosinME163306--0.7706163-
3-oxo-dodecanoic acid3-Oxododecanoic acidME161582-C023671.2423513-
3R-aminononanoic acid3R-Aminononanoic acidME162446--6.019514-
(3Z,6Z,9Z)-dodecatrienol-ME161702-C083751.3049446-
4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-diflu...-ME162990--1.113789-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol-ME162531-C136936.386847-
4,6-Dihydroxyquinoline4,6-DihydroxyquinolineME163347-C056391.802759-
4,7,10,13-Hexadecatetraenoic acid4,7,10,13-Hexadecatetraenoic acidME161336--1.0977863-
4-Acetamido-2-amino-6-nitrotoluene-ME161951-C164202.5628643-
4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-di...4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-olME161297--1.0767372-
4-Dodecylphenol4-DodecylphenolME161362-C142451.1330767-
4-Heptyloxyphenol4-HeptyloxyphenolME161421-C142361.137754-
4-Hydroxyaminoquinoline N-oxide4-(Hydroxyamino)quinoline N-oxideME161953-C040502.564377-
4-Hydroxyindole4-HydroxyindoleME161168-C020400.7999384-
4-Methylaminobutanal4-(Methylamino)butanalME163039-C109741.2688656-
4-Methylene-L-glutamine4-Methylene-glutamineME162880-C011097.691398-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol gluc...-ME162927-C196058.5739155-
4-Nitroaniline4-NitroanilineME161846-C021261.7614093-
4-Nitroaniline + 2.74600154-NitroanilineME161960-C021262.7460015-
4-Nitroaniline + 3.6684444-NitroanilineME162021-C021263.668444-
4-oxo-2-Nonenal-ME161304--1.1155127-
4-oxo-9Z,11E,13E-octadecatrienoic acidalpha-Licanic acidME161340-C083191.1009626-
4-Vinylcyclohexene-ME161444-C193101.1518548-
5-(1-Hydroxyethyl)-4-methylthiazole-ME162874--7.64864-
5,6-Dihydrouridine5,6-DihydrouridineME161855--1.8640534-
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroqui...-ME162002-C067263.3248916-
5,6-epoxy-18R-HEPE-ME163219-C181751.1154392-
5,6-Indolequinone-2-carboxylic acid5,6-Indolequinone-2-carboxylic acidME163076-C179382.2974086-
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavoneME163248--2.966713-
5-Aminopentanamide5-AminopentanamideME161799-C009901.6189432-
5?-Chola-3,8(14),11-trien-24-oic Acid-ME161868--1.8787795-
5?-Cholane-3?,7?,23,24-tetrol-ME162341--5.672421-
5?-Deoxy-5?-(methylthio)adenosine5'-MethylthioadenosineME161926-C001702.1648464-
5-Dodecenoic acid5-Dodecenoic acidME161324--1.0899496-
5-hexenal5-HexenalME162347--5.697753-
5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavoneME163357--4.2780056-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME163339-C056351.5452938-
5-Hydroxytryptophan5-Hydroxy-tryptophanME163133-C010176.060743-
5-Methoxytryptophan5-MethoxytryptophanME162216--4.7946258-
5-Methylcytidine5-MethylcytidineME162031--3.7899442-
5-Methylcytidine + 6.0779125-MethylcytidineME162452--6.077912-
5-Methylcytidine + 9.1060245-MethylcytidineME162943--9.106024-
5-Methylcytosine5-MethylcytosineME162147-C023764.4695187-
5-Methyldeoxycytidine5-MethyldeoxycytidineME162146-C035924.469048-
5-Methylthioribose5-MethylthioriboseME161984-C030893.0358496-
5-O-?-D-MycaminosyltylactoneCHEMBL296286ME162077-C120014.1915216-
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside5-O-(Indol-3-ylacetyl)-myo-inositol D-galactosideME163379-C046956.180263-
5-Oxoavermectin ''1a'' aglycone-ME162363-C119785.7634177-
6-GingerolGingerolME162217-C104624.7910037-
6-Hydroxynicotine (R)(S)-6-HydroxynicotineME162871-C010567.6426883-
6'-Hydroxysiphonaxanthin6'-HydroxysiphonaxanthinME163408--5.4896264-
6-keto PGE16-Keto PGE1ME163013-C059621.2029549-
6-methyltetrahydropterin6-MethyltetrahydropterinME161912--2.1584811-
(6S)-dehydrovomifoliol(6S)-DehydrovomifoliolME163337-C025331.4714152-
7,8-Diaminononanoate7,8-Diaminononanoic acidME162951-C010379.950603-
7a-Hydroxy-3-oxo-4-cholenoic acid-ME162966--1.1145232-
7-Mercaptoheptanoylthreonine-ME162792-C165947.1226935-
7-Methylguanine7-MethylguanineME162062-C022424.086957-
7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid7S,8S-DiHOTrEME161339-C073571.097548-
8-hydroxy Guanosine8-HydroxyguanosineME161905--2.127978-
8(S)-HETrE8S-HETrEME163322--1.1339425-
(±)9,10-DiHOME9,10-DiHOMEME161458-C148281.1475863-
(±)9,10-DiHOME + 1.08889399,10-DiHOMEME163207-C148281.0888939-
9,12-dioxo-dodecanoic acid9,12-Dioxo-dodecanoic acidME163428--1.2607647-
9,12-octadecadienal9,12-OctadecadienalME163005--1.1570152-
9-dodecynoic acid9-Dodecynoic acidME161479--1.1462369-
9E-heptadecenoic acid(Z)-9-Heptadecenoic acidME162969-C165361.0719757-
9(S)-HpOTrE9S-HpOTrEME163012-C163211.1895744-
9Z-undecenoic acid9Z-Undecenoic acidME163429--1.2570957-
Acetoacetic acidAcetoacetic acidME162891-C001647.8188577-
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME162017-C026593.6427777-
AcetophenazineAcetophenazineME163289-C068076.888448-
Acetylsulfamethoxazole-ME163235-C130611.3136238-
AdenineAdenineME162038-C001473.831744-
Adenine + 3.1587083AdenineME163090-C001473.1587083-
(+)-AdlumineAdlumineME162917-C093248.348879-
AK-toxin IAK toxin IME162901-C167877.926347-
AlanineAlanineME162821-C014017.210038-
AllantoinAllantoinME161862-C015511.8813473-
alpha-D-galactosyl undecaprenyl diphosphatealpha-D-galactosyl undecaprenyl diphosphateME162669-C045076.7381043-
alpha-Iononealpha-IononeME161569-C122861.2345767-
alpha-Methylstyrene-ME161454-C143951.150304-
AlpinineAlpinineME162867-C093317.587975-
a-L-RhamnoseRhamnoseME161778-C005071.5531787-
AmikacinAmikacinME163395-C068207.0735254-
aminocaproic acidAminocaproic acidME162191-C023784.708906-
Aminopentol-ME161373-C198051.1181566-
Amiprilose-ME162890--7.8175416-
AmmothamnineOxymatrineME161671-C107491.2769941-
Androst-4-ene-3alpha,17beta-diol diacetate-ME163109-C154235.011442-
AndrosteroneAndrosteroneME161293-C005231.0791572-
AngustibalinAngustibalinME161932-C092932.2864175-
AniracetamAniracetamME162170-C133554.617007-
AnkorineAnkorineME163278-C093376.3399115-
AP 23573-ME162439-C151835.949091-
Arg Arg ArgArg-Arg-ArgME163376--5.9671884-
Arg Arg MetArg-Arg-MetME163068--1.867821-
Arg-OEtEthyl arginateME162936-C014048.948673-
Ascidiacyclamide-ME161234-C157381.0455271-
Asn-Abu-OH-ME162944--9.107249-
Asn Cys CysAsn-Cys-CysME161876--1.892552-
Astrasieversianin XVIAstrasieversianin XVIME163106-C089254.636721-
AthamantinAthamantinME161385-C091231.1239628-
Athamantin + 1.2098414AthamantinME161535-C091231.2098414-
AureothinAureothinME162916-C156898.283623-
Avocadyne acetate-ME163000--1.1433647-
Azaconazole-ME162440-C187015.9486256-
Barringtogenol CTheasapogenol BME162044-C089313.9616969-
Batatasin IVBatatasin IVME163002-C102471.1490388-
BatrachotoxinBatrachotoxinME162590-C137506.643933-
BelladonnineBelladonnineME162334-C108455.645353-
BergeninBergeninME161922-C099192.1622493-
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosp...-ME162418-C048305.8359656-
Biliverdin IXBiliverdinME163344-C005001.654554-
Bisindolylmaleimide IBisindolylmaleimide iME161285-C112381.0735351-
Bitolterol-ME163194-C068537.5482416-
BorreverineBorreverineME162466-C090826.172808-
Boschnialactone + 1.2586726BoschnialactoneME161680-C097721.2586726-
Bryotoxin ABryotoxin AME161771-C088531.5430819-
Bufadienolide + 1.8836479-ME161874-C169211.8836479-
BuprenorphineBuprenorphineME162343-C080075.68811-
Buprenorphine + 6.8252945BuprenorphineME162705-C080076.8252945-
Buprenorphine + 6.915001BuprenorphineME162741-C080076.915001-
BuspironeBuspironeME161356-C068611.1217374-
Buspirone + 4.3572464BuspironeME162125-C068614.3572464-
ButanoneButanoneME161675-C028451.2724594-
Butoctamide hydrogen succinateListomin SME162762-C129466.989814-
Butyric acidButyric acidME161839-C002461.7315768-
C18-OH Sulfatide-ME162342--5.662143-
C25:4 Highly branched isoprenoid B-ME162959--1.0928196-
Caproic acidCaproic acidME161667-C015851.2912201-
?-CaprolactamEpsilon-caprolactamME161788-C065931.5871117-
CapryloylglycineCapryloylglycineME161751--1.4579339-
Capsi-amideCapsiamideME163315-C175151.0795077-
?-Captrolactone-ME161618-C018801.2557777-
carboprostCarboprostME161418--1.1337794-
CarboxynorspermidineCarboxynorspermidineME162753-C181746.959584-
CE(20:4)CE 20:4ME162972--1.0774299-
Ceramide (d18:1/16:0)Cer 18:1;O2/16:0ME161392-C001951.1261863-
Ceramide (d18:1/24:0)Cer 18:1;O2/24:0ME162985-C001951.1153939-
Ceramide (d18:1/24:1(15Z))Cer 18:1;O2/24:1(15Z)ME161376-C001951.1221131-
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME162986--1.1204612-
Chalconaringenin 2',4'-di-O-glucosideChalconaringenin 2',4'-di-O-glucosideME163362--5.4650803-
ChaparrinoneChaparrinoneME163006-C087571.1589627-
Chaulmoogric acidChaulmoogric acidME161380-C082821.0990576-
Chivosazole F-ME162708-C157336.8318305-
Chivosazole F + 7.4589205-ME163192-C157337.4589205-
ChlorambucilChlorambucilME161925-C069002.1672678-
Chlorocresol-ME163083-C143313.005084-
Chlorophyll bChlorophyll BME163360-C053074.724706-
CholestenoneCholestenoneME161318-C005991.0824918-
cholesteryl beta-D-glucosideCholesteryl beta-D-glucosideME161661-C038551.2646005-
Cinnamyl alcoholCinnamyl alcoholME161455-C023941.1496845-
Cinnamyl alcohol + 1.4422443Cinnamyl alcoholME161746-C023941.4422443-
Cinnamyl alcohol + 1.5503812Cinnamyl alcoholME161776-C023941.5503812-
clavirin IIClavirin IIME162361--5.726158-
Clitidine-ME161994-C199773.1375344-
CMP-pseudaminic acidCMP-pseudaminic acidME163313-C200831.0360416-
Compound III(S)Compound III(S)ME162272-C064955.207351-
ConvolineConvolineME161916-C108552.1635633-
Corey PG-Lactone Diol-ME162559--6.5342627-
Corey PG-Lactone Diol + 1.133648-ME163217--1.133648-
CreatineCreatineME162833-C003007.2951646-
CreatinineCreatinineME162127-C007914.378695-
Creatinine + 7.2947903CreatinineME162834-C007917.2947903-
Cucurbitine-ME162813-C101407.1465015-
Curacin ACuracin AME162137-C116894.417174-
CuscohygrineCuscohygrineME161578-C065211.2376783-
CyclopamineCyclopamineME163417-C107984.236847-
CyclopropylamineCyclopropylamineME162757-C141506.960572-
Cys His SerCys-His-SerME162616--6.6672487-
CytidineCytidineME162085-C004754.228518-
Cytochalasin BCytochalasin BME163255-C199544.311219-
CytosineCytosineME162034-C003803.7902985-
Cytosine + 4.227604CytosineME162084-C003804.227604-
Cytosine + 4.314314CytosineME162110-C003804.314314-
D-2-Aminobutyric acid2R-Aminobutyric acidME161881-C022611.9040687-
D-2-Amino-hexano-6-lactamUndecylprodigiosinME162949-C053289.330056-
D-AlanineD-AlanineME162012-C001333.5739682-
D-Alanine + 6.7376966D-AlanineME162660-C001336.7376966-
D-Alanine + 7.295138D-AlanineME162827-C001337.295138-
DarlingineDarlingineME163037-C108571.2609951-
D-AsparagineD-AsparagineME161956-C019052.6352746-
D-Asparagine + 3.0625474D-AsparagineME161986-C019053.0625474-
D-Asparagine + 3.5735521D-AsparagineME162013-C019053.5735521-
D-BiotinBiotinME163252-C001203.9212277-
d-DethiobiotinDethiobiotinME162087-C019094.23153-
d-Dethiobiotin + 4.5324354DethiobiotinME162157-C019094.5324354-
DebneyolDebneyolME161411-C096531.1282991-
DecalineDecalineME162857-C105897.5128465-
Decaline + 7.456029DecalineME163295-C105897.456029-
Decarbamoylsaxitoxin-ME161815-C200211.6776861-
DemethyltexasinDemethyltexasinME161160-C143140.7356324-
DeoxycytidineDeoxycytidineME162111-C008814.3147187-
DeoxyguanosineDeoxyguanosineME161997-C003303.1589007-
DeoxymiroestrolDeoxymiroestrolME161263-C181641.0675449-
DeoxyvasicinoneDeoxyvasicinoneME162225-C106594.8083916-
DextroamphetamineDextroamphetamineME163092-C078843.4751046-
DG(15:0/16:1(9Z)/0:0)DG 15:0/16:1(9Z)/0:0*ME161273--1.0733875-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*ME161305--1.0844543-
DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)DG 15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*ME163328--1.1618862-
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)DG 15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME163226--1.1819592-
DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)DG 18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0*ME163312--1.0234065-
DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)DG 18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0*ME163311--1.0194954-
DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0...DG 20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME162992--1.1243834-
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)DG 22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0*ME161344--1.1028801-
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:...DG 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*ME161372--1.118149-
DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z...-ME163361--5.452849-
?-D-GlucoseGlucoseME161962-C002672.7738783-
D-GlucosyldihydrosphingosineD-GlucosyldihydrosphingosineME163027-C038581.2545047-
DiazepamDiazepamME161913-C069482.1594338-
Dibutyl phthalateDibutyl phthalateME161252-C142141.0597287-
DicyclohexylamineN,N-DicyclohexylamineME162142-C146864.451823-
DidrovaltratumDidrovaltratumME161284-C097761.0864221-
DiethanolamineDiethanolamineME162490-C067726.208659-
Diethanolamine + 6.678039DiethanolamineME162627-C067726.678039-
Diethylene glycolDiethylene glycolME163052-C146891.6272333-
Dihomo-?-linolenoyl-EADihomo-gamma-linolenoyl-EAME161579-C138281.2450869-
DihomomethionineDihomomethionineME161961-C172172.763817-
DihydroartemisininDihydroartemisininME163180--7.1035924-
DihydrocortisolDihydrocortisolME163242-C054711.9058994-
Diisooctyl phthalateDiisooctyl phthalateME161230-C145771.0447284-
DiltiazemDiltiazemME161836-C069581.7256956-
Dimethametryn-ME163056-C185371.5883565-
Dinor-PGD2Dinor-PGD2ME161424--1.1428493-
DiosmetinDiosmetinME163086-C100383.0244029-
Dipropyl disulfideDipropyl disulfideME161946-C083732.4042609-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME161794--1.6105052-
DL-2-amino-octanoic acid + 6.49349162-Aminocaprylic acidME162553--6.4934916-
DL-2-amino-octanoic acid + 7.04717872-Aminocaprylic acidME162773--7.0471787-
dl-alpha-Tocopherol nicotinateVitamin E NicotinateME162719-C129816.8590055-
D-Leucic acidD-Leucic acidME163070-C032641.9006482-
DL-pipecolic acid + 6.6582723Pipecolic acidME162611-C004086.6582723-
DL-SerineSerineME162677-C007166.7850647-
D-myo-Inositol-1,2,4,5,6-pentaphosphate-ME162383-C045635.8358884-
Dodecanedioic acidDodecanedioic acidME161607-C026781.2545176-
Dolastatin 11-ME162442-C169055.957612-
D-PhenylalanineD-PhenylalanineME162434-C022655.955865-
D-ProlineD-ProlineME161857-C007631.8627179-
D-Proline + 4.22679D-ProlineME162082-C007634.22679-
D-Proline + 6.653455D-ProlineME162599-C007636.653455-
EctocarpenEctocarpenME161462-C169931.1514455-
EctoineEctoineME162870-C062317.634795-
Eicosanedioic acidEicosanedioic acidME163325--1.1674825-
EmbelinEmbelinME161406-C103421.1563085-
EnalkirenEnalkirenME163409-C074666.755967-
Enniatin B4Enniatin B4ME162445-C157575.9670935-
(-)-EpinephrineEpinephrineME161833-C007881.7228727-
Epinephrine sulfateEpinephrine sulfateME161175--0.88739944-
EplerenoneEplerenoneME161448-C125121.1493633-
ErythrohydrobupropionErythrohydrobupropionME162115--4.3161874-
Erythromycin estolateErythromycin estolateME162653-C080316.7114573-
Erythromycin estolate + 6.7943406Erythromycin estolateME162697-C080316.7943406-
Estradiol-17-phenylpropionate-ME163210-C146451.1060929-
Ethambutol aldehyde-ME161897--2.0545263-
Ethyl 3-(N-butylacetamido)propionate-ME161730-C188301.4088768-
Ethyl acetateEthyl acetateME161684-C008491.2749375-
EvodiamineEvodiamineME162159-C091874.542899-
FaropenemFaropenemME161914-C133102.1597743-
Faropenem + 2.889555FaropenemME163082-C133102.889555-
FerimzoneFerimzoneME161361-C185791.1297677-
Ferimzone + 1.587867FerimzoneME163057-C185791.587867-
FexofenadineFexofenadineME162303-C069995.5354357-
Fexofenadine + 5.6458764FexofenadineME162333-C069995.6458764-
FibrinFibrinME162542-C002906.433407-
Fortimicin FU-10-ME162124-C179714.3575306-
FosinoprilFosinoprilME162681-C070166.7719574-
furazolidoneFurazolidoneME162455-C079996.1113214-
GabapentinGabapentinME161682-C070181.2758588-
Galactonic acidGalactonic acidME163259-C008804.5872617-
GalCer(d18:2/22:0)GalCer 18:2;O2/22:0ME161687--1.28474-
GallopamilGallopamilME163129-C137645.9701333-
Gambieric acid B-ME162695-C168866.79865-
(+)-gamma-Hydroxy-L-homoargininegamma-Hydroxy-homoarginineME162806-C082867.147945-
gamma-Nonalactone(S)-4-NonanolideME161335-C085011.1251279-
Geniposidic acidGeniposidic acidME161858-C116731.8674428-
Gibberellin A3Gibberellin A3ME162685-C016996.7760186-
Gln Trp GluGln-Trp-GluME163366--5.655397-
Glucosylceramide (d18:1/16:0)-ME161703-C011901.3247412-
Glucosylceramide (d18:1/16:0) + 1.4790593GlcCer 18:1;O2/16:0ME161761-C011901.4790593-
Glucosylceramide (d18:1/24:1(15Z))-ME161685-C011901.2865404-
Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408GlcCer 18:1;O2/24:1ME161745-C011901.4387408-
GlutamineGlutamineME161959-C000642.7383006-
Glutathione, oxidizedOxidized glutathioneME161909-C001272.1594422-
Glycidyl oleate-ME161203-C194261.119708-
Gly Cys TrpGly-Cys-TrpME161693--1.2832457-
Gö 6983-ME162978--1.0808438-
GPSer(18:0/18:1(9Z))PS 18:0/18:1(9Z)ME162290-C027375.448682-
Guanidinosuccinic AcidGuanidinosuccinic acidME162457-C031396.0983543-
Guanidinosuccinic Acid + 6.1773696Guanidinosuccinic acidME162473-C031396.1773696-
GuazatineGuazatineME162061-C109974.0853767-
GW 9662-ME161178-C156270.9295518-
GymnodimineGymnodimineME162324-C200255.623964-
Gymnodimine + 6.7119865GymnodimineME162647-C200256.7119865-
Gymnodimine + 6.8054833GymnodimineME162701-C200256.8054833-
HA-1077-ME162788--7.1036997-
HarmalolHarmalolME162000-C065373.2085829-
Harmalol + 4.906716HarmalolME162244-C065374.906716-
HecogeninHecogeninME161521-C089021.2045225-
HeliamineHeliamineME162777-C094607.0484853-
HemigossypolHemigossypolME163058-C096801.5901996-
Heptanoic acidHeptylic acidME161610-C057991.2514364-
Hexazinone-ME161848-C109261.7872953-
Hexazinone + 2.021875-ME161895-C109262.021875-
Hispidol(Z)-4',6-DihydroxyauroneME161162-C086440.74429685-
HistamineHistamineME163195-C003887.5740147-
HodgkinsineHodgkinsineME163364-C092115.601868-
HomalineHomalineME161278-C105991.0733131-
HomomethionineHomomethionineME161992-C172133.0937402-
HPF-ME161779--1.5569327-
Hydnocarpic acidHydnocarpic acidME161490-C167951.1733196-
HygrineHygrineME161768-C061791.5406988-
HymenoflorinHymenoflorinME161451-C094801.1493529-
Hypoglycin-ME162257-C082875.0487785-
HypoxanthineHypoxanthineME161964-C002622.8386796-
Hypoxanthine + 3.086139HypoxanthineME161991-C002623.086139-
IBMX-ME161700-C137081.302048-
IndicanIndicanME161980-C084813.012869-
Indole-3-acetaldoxime N-oxideIndole-3-acetaldoxime N-oxideME161803-C172041.6340783-
Indole-3-acetaldoxime N-oxide + 5.5751677Indole-3-acetaldoxime N-oxideME162311-C172045.5751677-
Indole-3-ethanolTryptophanolME162652-C009556.7169604-
Indoleacrylic acidIndoleacrylic acidME162368-C003315.824093-
Indoleacrylic acid + 5.8675737Indoleacrylic acidME162419-C003315.8675737-
IndospicineIndospicineME162566-C082886.5858164-
Inulicin-ME161690-C094831.2867934-
IrbesartanIrbesartanME163128-C074695.9553537-
Iriomoteolide 1a-ME162711-C200096.840804-
IsobutyronitrileIsobutyronitrileME162600-C024206.653347-
IsopentenyladenineN6-IsopentenyladenineME162862-C040837.5485244-
IsosafroleIsosafroleME161260-C104721.066141-
Isosafrole + 1.1335262IsosafroleME161408-C104721.1335262-
IsovalerylalanineIsovalerylalanineME162001--3.2196655-
Istamycin C1-ME162078-C179964.1909657-
Ivermectin B1a-ME162443-C079705.9519877-
Jasmonic acidJasmonic acidME161364-C084911.1927333-
KAPAAcetoacetic acidME161770-C010921.540136-
Kukoamine B-ME161972-C176162.96017-
L-alpha-Aspartyl-L-hydroxyproline-ME161854--1.8584633-
Lankacidin C-ME163423-C157581.0817-
L-ArginineArginineME162930-C000628.715344-
L-Ascorbic acidVitamin CME161161-C000720.738635-
Lasonolide A-ME163110-C199035.0245934-
L-beta-aspartyl-L-threonine-ME161996--3.153038-
L-CladinoseL-CladinoseME161879-C119171.8969164-
LentiginosineLentiginosineME162786-C101557.077419-
Lentiginosine + 1.3061546LentiginosineME163041-C101551.3061546-
Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-...-ME162321--5.624102-
Leu-leu-tyrLeu-Leu-TyrME162816-C113317.156671-
Leu TyrLeu-TyrME161880--1.8959446-
L-FormylkynurenineN-Formyl-L-kynurenineME163134-C027006.1699133-
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME161954-C011652.5747325-
(±)-LimoneneLimoneneME163404--1.2596614-
Limonene-1,2-epoxideLimonene-1,2-epoxideME161459-C072711.1485678-
Limonene-1,2-epoxide + 1.4060118Limonene-1,2-epoxideME161728-C072711.4060118-
LindheimerineLindheimerineME162760-C086956.9929986-
?-Linolenic AcidOctadecatrienoic acidME161298-C064271.087934-
Linoleoyl EthanolamideLinoleoyl-EAME161506--1.1889015-
L-isoleucyl-L-prolineIle-ProME162911--8.215546-
L-isoleucyl-L-proline + 8.420621Ile-ProME162922--8.420621-
L-LeucineLeucineME162787-C001237.0991254-
l-MethamphetamineMethamphetamineME162071-C071644.148058-
L-MethionineMethionineME162016-C000733.6429126-
L-Methionine S-oxideMethionine sulfoxideME161748-C029891.4467877-
L-Methionine S-oxide + 7.688807Methionine sulfoxideME162881-C029897.688807-
L-NorleucineNorleucineME161818-C019331.6932186-
L-Norleucine + 6.0978947NorleucineME162454-C019336.0978947-
L-Norleucine + 6.176548NorleucineME162469-C019336.176548-
Lovastatin acid (Mevinolinic acid)-ME163123--5.9288664-
Loxoprofen Metabolite (b-D-Glucopyranuronic acid, ...-ME163245--2.1652963-
LoxtidineLoxtidineME161353-C118051.1108028-
Loxtidine + 1.1110786LoxtidineME161355-C118051.1110786-
L-Pipecolic acidPipecolic acidME162284-C004085.3569207-
L-ThreonineThreonineME162580-C001886.673125-
Lupanyl Acid-ME161943--2.3022113-
Lupanyl Acid + 3.9595964-ME162043--3.9595964-
LysineLysineME163422-C164408.990875-
Lys-Lys-OH-ME162004--3.347584-
LysoPE(0:0/16:0)LPE 0:0/16:0ME162353--5.7185373-
LysoPE(0:0/16:1(9Z))LPE 0:0/16:1(9Z)ME163190--7.323031-
LysoPE(0:0/18:0)LPE 0:0/18:0ME162337--5.6583056-
LysoPE(0:0/18:0) + 6.773583LPE 0:0/18:0ME162684--6.773583-
LysoPE(0:0/18:0) + 6.8673964LPE 0:0/18:0ME162722--6.8673964-
LysoPE(0:0/18:1(11Z))LPE 0:0/18:1(11Z)ME162307--5.568454-
LysoPE(0:0/18:1(11Z)) + 5.671535LPE 0:0/18:1(11Z)ME162340--5.671535-
LysoPE(0:0/20:0)LPE 0:0/20:0ME162630--6.6885204-
LysoPE(0:0/20:0) + 6.7854633LPE 0:0/20:0ME162689--6.7854633-
LysoPE(0:0/22:0)LPE 0:0/22:0ME162581--6.621859-
LysoPE(0:0/22:0) + 6.722954LPE 0:0/22:0ME162657--6.722954-
LysoPE(0:0/22:1(13Z))LPE 0:0/22:1(13Z)*ME162668--6.736052-
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))LPE 0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME162325--5.6248355-
Lys Thr TrpLys-Thr-TrpME161847--1.7659953-
MacrocinMacrocinME162416-C007445.8461366-
MelamineMelamineME162049-C087373.9874303-
Melengestrol acetate-ME161496-C146421.1818823-
MephentermineMephentermineME162050-C078894.0012-
Mesquitol-4beta-ol 3,8-dimethyl etherMesquitol-4beta-ol 3,8-dimethyl etherME162495--6.25176-
MetalaxylMetalaxylME163287-C109476.8561373-
Metaldehyde-ME161928-C187442.288355-
MET-enkephalinMET-enkephalinME163375-C116845.9658327-
Met Gly HisMet-Gly-HisME163088--3.1577623-
Methiuron-ME163353-C190862.9720387-
methyl (+)-7-isojasmonateMethyl-7-isojasmonateME163223-C163181.1494325-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...-ME162130--4.381767-
MethylenediureaMethylenediureaME162032-C063813.78813-
Methylimidazole acetaldehydeMethylimidazole acetaldehydeME161993-C058273.118276-
Methylitaconate-ME161967-C022952.9065425-
Methylitaconate + 7.548231-ME162861-C022957.548231-
Methyl N-butyrylglycine-ME163350--2.2263994-
MethylnoradrenalineLevonordefrinME163400-C117680.8957567-
MG(0:0/16:0/0:0)MG 0:0/16:0/0:0ME161375--1.1527176-
MG(0:0/18:1(9Z)/0:0)MG 0:0/18:1(9Z)/0:0ME161470--1.1561633-
MG(0:0/18:3(6Z,9Z,12Z)/0:0)MG 0:0/18:3(6Z,9Z,12Z)/0:0*ME161403--1.131286-
MG(0:0/20:2(11Z,14Z)/0:0)MG 0:0/20:2(11Z,14Z)/0:0*ME161363--1.1227365-
MG(0:0/22:2(13Z,16Z)/0:0)MG 0:0/22:2(13Z,16Z)/0:0*ME161342--1.1036906-
MG(0:0/24:1(15Z)/0:0)MG 0:0/24:1(15Z)/0:0ME161950--2.5377781-
MG(18:0/0:0/0:0)MG 18:0/0:0/0:0ME161347--1.1036855-
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-...-ME162468--6.160147-
Militarinone AMilitarinone AME161427-C123331.1528153-
Militarinone BMilitarinone BME163296-C123347.4876575-
MonuronMonuronME162040-C190873.8713799-
Mulberrofuran CMulberrofuran CME162298-C089285.4861608-
Muramic acidMuramic acidME161927-C064702.1637948-
Mycobactin SMycobactin SME163165-C122166.7312994-
N1-AcetylspermidineN1-AcetylspermidineME161426-C006121.1397169-
N1-Acetylspermidine + 9.039678N1-AcetylspermidineME162939-C006129.039678-
N1,N4-Diacetylsulfanilamide-ME163321--1.1239978-
N2-Acetyl-L-ornithineN-AcetylornithineME162233-C004374.866964-
N2-Acetyl-L-ornithine + 7.505078N-AcetylornithineME162853-C004377.505078-
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME162027--3.7350883-
N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactoneN-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactoneME162120-C118454.3255677-
N-(3-oxo-hexanoyl)-homoserine lactoneN-(3-Oxo-hexanoyl)-homoserine lactoneME163309-C118390.92410725-
N4-AcetylcytidineN4-AcetylcytidineME161942--2.301084-
N6,N6-DimethyladenosineN(6),N(6)-DimethyladenosineME163348-C034162.0563102-
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME161999-C031373.2105124-
N?-Acetyl-L-arginineN-AcetylarginineME163377--5.9756985-
N-Acetyl-L-HistidineN-AcetylhistidineME162865-C029977.5775366-
N-acetyl-S-geranylgeranyl-L-Cysteine-ME163221--1.1228797-
NadololNadololME163279-C072496.3468485-
Nadolol + 6.457579NadololME163280-C072496.457579-
Nalidixic acidNalidixic acidME162015-C050793.6008804-
N(alpha)-Benzyloxycarbonyl-L-leucineN-Benzyloxycarbonyl-L-leucineME162714-C043356.853635-
N(alpha)-t-Butoxycarbonyl-L-leucine-ME162483-C043016.2090387-
N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106-ME162779-C043017.0559106-
N-(Aminomethyl)ureaN-(Aminomethyl)ureaME162035-C063833.787943-
Nap-Ile-OH-ME162380--5.8366666-
n-decanohydroxamic acidN-Decanohydroxamic acidME161725-C128891.3747275-
n-decanohydroxamic acid + 1.4612739N-Decanohydroxamic acidME161756-C128891.4612739-
N-dodecanoyl-L-Homoserine lactoneN-Dodecanoyl-homoserine lactoneME162258--5.046059-
NelfinavirNelfinavirME162767-C072577.0063252-
Nelfinavir + 7.450638NelfinavirME162849-C072577.450638-
Ne-Methyl-L-lysineN(6)-MethyllysineME162938-C027289.063201-
NetilmicinNetilmicinME162149-C076574.488249-
N-FormiminoglycineN-FormimidoylglycineME163354-C027183.1539679-
N-hexanoyl-L-Homoserine lactone-ME163043--1.3703777-
N-Hydroxy-1-aminonaphthalene-ME161841-C147891.7373525-
NiacinamideNiacinamideME161837-C001531.7314665-
Nitrilacarb-ME162937-C189549.017194-
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME163072-C111181.9363258-
N-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME161899-C058432.0728695-
N-MethylformamideN-MethylformamideME163135-C114896.1738796-
N-Methylhistamine1-MethylhistamineME163191--7.392769-
N,N-dimethylhistidineN,N-DimethylhistidineME161983-C042593.0276031-
N,N-dimethylhistidine + 4.45251N,N-DimethylhistidineME162143-C042594.45251-
N,N-dimethylsphing-4-enineN,N-DimethylsphingosineME161546-C139141.2188791-
N,N-dimethylsphing-4-enine + 4.1255655N,N-DimethylsphingosineME162067-C139144.1255655-
N-oleoyl ethanolamine + 1.2216221Oleoyl-EAME161548--1.2216221-
Nonoxynol-9Nonoxynol-9ME163343--1.6426911-
Norepinephrine (noradrenaline)Xi-NorepinephrineME163143-C005476.207168-
Norepinephrine sulfateNorepinephrine sulfateME161182--0.9953287-
Norepinephrine sulfate + 1.0737517Norepinephrine sulfateME161269--1.0737517-
Norharmanbeta-CarbolineME163351--2.7481444-
Noscapinealpha-NarcotineME162931-C095928.678719-
Novobiocic acidNovobiocic acidME162907-C124748.048765-
N-palmitoyl glutamic acidN-Palmitoyl glutamic acidME162521--6.3549566-
N-palmitoyl glutamic acid + 6.5176063N-Palmitoyl glutamic acidME162556--6.5176063-
N-Valerylglycine methyl ester-ME161805--1.648754-
o-Coumaric acidtrans-o-Coumaric acidME162467-C017726.174449-
Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside)-ME161338--1.1057636-
Oleoyl EthanolamideOleoyl-EAME161488--1.1765511-
Oleoyl Serotonin-ME163318--1.1045661-
Orsellinic acidOrsellinic acidME161902-C018392.1097262-
OtonecineOtonecineME162744-C103566.921283-
Otonecine + 1.4471529OtonecineME163044-C103561.4471529-
Otonecine + 4.6158233OtonecineME163104-C103564.6158233-
PA(20:2(11Z,14Z)/19:0)PA 20:2(11Z,14Z)/19:0*ME163319--1.1157641-
Palmitic Acid methyl esterMethyl hexadecanoateME162119-C169954.325129-
p-Aminobenzoic acidp-Aminobenzoic acidME162776-C005687.046158-
p-Aminobenzoic acid + 7.2129807p-Aminobenzoic acidME162822-C005687.2129807-
Pantothenic AcidPantothenic acidME161949-C008642.520448-
PA(O-18:0/12:0)PA O-18:0/12:0ME162709--6.831672-
PD 173074PD173074ME162533--6.382411-
PE(14:0/10:0)[U]PE 14:0/10:0*ME163388--6.6751556-
PE(17:0/22:4(7Z,10Z,13Z,16Z))PE 17:0/22:4(7Z,10Z,13Z,16Z)*ME162297--5.491455-
PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))PE 18:3(6Z,9Z,12Z)/18:2(9Z,12Z)*ME163114-C003505.4304347-
PE(20:0/15:0)PE 20:0/15:0*ME163276-C003506.316049-
PE(20:1(11Z)/15:0)PE 20:1(11Z)/15:0*ME162305-C003505.576248-
PE(20:2(11Z,14Z)/18:2(9Z,12Z))PE 20:2(11Z,14Z)/18:2(9Z,12Z)*ME162218-C003504.802058-
PE(20:2(11Z,14Z)/21:0)PE 20:2(11Z,14Z)/21:0*ME162453--6.132487-
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))PE 20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)*ME162209-C003504.7748513-
PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))PE 20:3(5Z,8Z,11Z)/20:2(11Z,14Z)*ME162335-C003505.6434307-
PE(20:3(8Z,11Z,14Z)/17:0)PE 20:3(8Z,11Z,14Z)/17:0*ME162472--6.161041-
PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))PE 20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*ME162213-C003504.7945743-
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))PE 20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)*ME162207-C003504.7697663-
PE(20:3(8Z,11Z,14Z)/P-18:0)-ME162228-C003504.8370814-
PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))-ME161642-C003501.2716798-
PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))PE 20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)*ME162197-C003504.74903-
PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))-ME162211-C003504.7862577-
PE(22:1(13Z)/18:1(11Z))PE 22:1(13Z)/18:1(11Z)*ME163385-C003506.3137946-
PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))PE 22:1(13Z)/20:4(5Z,8Z,11Z,14Z)*ME163122-C003505.8394213-
PE(22:2(13Z,16Z)/15:0)PE 22:2(13Z,16Z)/15:0*ME162302-C003505.5530453-
PE(22:4(7Z,10Z,13Z,16Z)/19:0)PE 22:4(7Z,10Z,13Z,16Z)/19:0*ME161629--1.265828-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))-ME162212-C003504.795175-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))PE 22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)*ME162208-C003504.7757564-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)*ME163117-C003505.448762-
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))-ME162196-C003504.7374825-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)...PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)*ME162220-C003504.8067527-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*ME163118--5.4764686-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))-ME163359-C003504.6985397-
PE(24:1(15Z)/14:1(9Z))PE 24:1(15Z)/14:1(9Z)*ME162310-C003505.578175-
PE(24:1(15Z)/14:1(9Z)) + 5.6096344PE 24:1(15Z)/14:1(9Z)*ME162326-C003505.6096344-
Pederin-ME161536-C157601.2058316-
PedunculaginPedunculaginME163119-C102365.536335-
PE(O-18:0/0:0)PE O-18:0/0:0*ME162359--5.7415977-
PE(P-18:0/17:2(9Z,12Z))PE P-18:0/17:2(9Z,12Z)*ME163365--5.6195655-
PE(P-18:0/22:4(7Z,10Z,13Z,16Z))PE P-18:0/22:4(7Z,10Z,13Z,16Z)*ME163407--4.829559-
PE(P-20:0/17:1(9Z))PE P-20:0/17:1(9Z)*ME162296--5.457796-
PG(18:1(11Z)/18:1(9Z))PG 18:1(11Z)/18:1(9Z)*ME162971--1.1199673-
PG(18:1(11Z)/20:3(5Z,8Z,11Z))PG 18:1(11Z)/20:3(5Z,8Z,11Z)*ME162429--5.9455495-
PGC2PGC2ME161410-C059551.1480751-
PGE2PGE2ME162993-C005841.16921-
PGF1?PGF1alphaME161681-C064751.2730963-
Phe Gly Phe Gly-ME163345--1.6964256-
Phenylenediamine-ME162843-C024547.393098-
PhenylethylaminePhenylethylamineME162022-C053323.70951-
Phlorizin chalcone-ME161882-C164061.9173528-
PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z))PI 16:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME162198--4.7613006-
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PI 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME162186--4.6667156-
PI(18:1(11Z)/16:1(9Z))PI 18:1(11Z)/16:1(9Z)*ME162199-C006264.7583895-
PI(18:1(9Z)/18:1(9Z))PI 18:1(9Z)/18:1(9Z)*ME163107-C006264.729662-
PI(18:1(9Z)/18:2(9Z,12Z))PI 18:1(9Z)/18:2(9Z,12Z)*ME162192--4.7104692-
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))PI 18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME162176--4.652464-
PI(20:3(5Z,8Z,11Z)/18:1(11Z))PI 20:3(5Z,8Z,11Z)/18:1(11Z)*ME162178-C006264.635655-
PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))PI 20:3(8Z,11Z,14Z)/18:2(9Z,12Z)*ME162193-C006264.646698-
PI(20:4(8Z,11Z,14Z,17Z)/16:0)PI 20:4(8Z,11Z,14Z,17Z)/16:0*ME162185-C006264.6675854-
PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))PI 22:1(11Z)/22:4(7Z,10Z,13Z,16Z)*ME162441--5.9566607-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*ME162167-C006264.6210527-
PiperidinePiperidineME162456-C017466.0980835-
Piperidine + 6.1769915PiperidineME162471-C017466.1769915-
PirbuterolPirbuterolME162925-C078078.521822-
PirimicarbPirimicarbME161935-C110792.2883043-
PiscerythraminePiscerythramineME162897-C105187.8594813-
Poloxalene-ME161735--1.4281267-
PrimflasinePrimflasineME161239--1.049438-
Procyanidin B1Procyanidin B1ME161974-C102212.9883502-
PrometonPrometonME163299-C141867.9244475-
Propanethial S-oxideThial-1-Propene-1-thiol S-oxideME162018-C083893.6413476-
PropanoylagmatinePropanoylagmatineME163358-C025814.37832-
PropofolPropofolME161606-C075231.2552315-
ProsopinineProsopinineME161677--1.253655-
Pro Trp CysPro-Trp-CysME161287--1.0761787-
PS(14:1(9Z)/0:0)PS 14:1(9Z)/0:0ME162883--7.703299-
PS(16:0/18:1(9Z))[U]PS 16:0/18:1(9Z)*ME162295-C138805.4751906-
PS(18:0/20:4(8Z,11Z,14Z,17Z))PS 18:0/20:4(8Z,11Z,14Z,17Z)*ME162379-C027375.835391-
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))PS 18:0/22:5(7Z,10Z,13Z,16Z,19Z)*ME162285-C027375.3751197-
PS(20:0/0:0)LPS 20:0/0:0ME162633--6.7352467-
PS(21:0/20:4(5Z,8Z,11Z,14Z))PS 21:0/20:4(5Z,8Z,11Z,14Z)*ME162444--5.963296-
PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME163363--5.4804873-
PS(22:4(7Z,10Z,13Z,16Z)/0:0)PS 22:4(7Z,10Z,13Z,16Z)/0:0*ME163161--6.735529-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*ME162414--5.8326197-
PsicofuranineAngustmycin CME162006-C053423.396048-
Psicofuranine + 3.517004Angustmycin CME162011-C053423.517004-
PS(P-20:0/20:3(8Z,11Z,14Z))PS P-20:0/20:3(8Z,11Z,14Z)*ME162293--5.4770684-
Pumiliotoxin A-ME162103-C200334.295532-
Quinolin-2-ol2-HydroxyquinolineME161433-C063381.1438377-
Quinolin-2-ol + 1.96164492-HydroxyquinolineME161889-C063381.9616449-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid-ME162491-C022376.2081575-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.156825...-ME162804-C022377.1568255-
RamiprilRamiprilME162036-C072323.809555-
(R)-benzyl Mandelate-ME161164--0.76998836-
Resveratrol 4'-Methyl Ether-ME163097--4.149179-
RhexifolineRhexifolineME163093-C099863.5318797-
Riboflavin (Vitamin B2)RiboflavinME161985-C002553.0548222-
Ricinoleic acidRicinoleic acidME161315-C083651.0853553-
RimantadineRimantadineME163033-C072361.2911017-
Rugosal ARugosalME161523-C097171.2021598-
RuscopineRuscopineME161605-C085101.2542356-
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine-ME163141-C172426.2065043-
S-AcetyldihydrolipoamideS-AcetyldihydrolipoamideME161891-C011361.9870639-
SaphenamycinSaphenamycinME163374-C123115.9658666-
S-(Carboxymethyl)-L-cysteineS-Carboxymethyl-cysteineME162010-C037273.4975598-
sec-Butylbenzene-ME163001-C141421.1326512-
Sesamex-ME161747-C191461.4458069-
Sesamex + 1.5498425-ME161777-C191461.5498425-
Sethoxydim-ME161781-C185391.5755668-
Sethoxydim + 6.207309-ME162486-C185396.207309-
SpergualinSpergualinME161299-C167471.080361-
Spergualin + 1.1258513SpergualinME161388-C167471.1258513-
SphinganineSphinganineME162140-C008364.433731-
SphingosineSphingosineME162073-C003194.1568027-
Sphingosine + 4.3871903SphingosineME162134-C003194.3871903-
Staphidine-ME161652-C087121.271624-
StearamideStearamideME161437-C138461.1336201-
Strictosidine aglyconeStrictosidine aglyconeME161359-C033091.1083748-
Stypoltrione-ME163329--1.1792867-
Sugetriol-ME161533-C175021.2182125-
SulfathalidinePhthalylsulfathiazoleME162288-C076595.4071345-
TaurineTaurineME162308-C002455.5771956-
Taurocholic acidTaurocholic acidME162042-C051223.9029086-
Taurohyocholic acid + 4.3186736Taurohyocholic acidME162118-C155164.3186736-
Taurohyocholic acid + 4.596465Taurohyocholic acidME162164-C155164.596465-
Taxine B-ME162793-C199897.1898646-
Tetranactin-ME163168-C067646.746477-
TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6]TG 16:0/17:2(9Z,12Z)/18:2(9Z,12Z)*ME161283--1.0744252-
TG(17:0/17:1(10Z)/17:0) (d5)TG 17:0/17:1(10Z)/17:0*ME161691--1.2885-
TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]TG 18:2(9Z,12Z)/14:0/18:2(9Z,12Z)*ME161256--1.0698285-
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3...TG 18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)*ME162968--1.0649006-
Thr Phe AspThr-Phe-AspME162908--8.075741-
Thr Trp AsnThr-Trp-AsnME161309--1.0880101-
THTCTetrahydrothiophene-2-carboxylic acidME162476-C110746.1869273-
ThymidineThymidineME161795-C002141.584274-
ThymineThymineME161790-C001781.5834508-
Thymine + 7.1826386ThymineME163396-C001787.1826386-
Traumatic AcidTraumatic acidME161390-C163081.1800236-
Traumatic Acid + 1.2060251Traumatic acidME163018-C163081.2060251-
TridemorphTridemorphME161417-C112851.1356211-
TrilobineTrilobineME162619-C096696.664668-
TrimethylamineTrimethylamineME162459-C005656.0988913-
Trimethylamine + 7.8191104TrimethylamineME162888-C005657.8191104-
Trimethylamine N-oxideTrimethylamine N-oxideME162624-C011046.673725-
TrolamineTriethanolamineME162479-C067716.2068024-
TryptophanTryptophanME162210-C008064.781196-
Tumonoic Acid I-ME163317--1.0914599-
TutinTutinME161434-C095701.1476514-
Tutin + 2.6770117TutinME161958-C095702.6770117-
Tutin + 3.0069094TutinME163084-C095703.0069094-
TylosinTylosinME162408-C014575.867512-
Tyr Glu IleTyr-Glu-IleME162872--7.6439857-
Ubiquinone (Q2)-ME161387-C003991.1329608-
UndecylprodigiosinUndecylprodigiosinME162956-C120230.90340513-
UracilUracilME161811-C001061.6533031-
Uracil + 1.7113016UracilME161824-C001061.7113016-
UreaUreaME161864-C000861.8798817-
Urea + 2.1285865UreaME161906-C000862.1285865-
Urea + 3.788126UreaME162033-C000863.788126-
UridineUridineME161941-C002992.2960243-
UrocortisolTetrahydrocortisolME163282-C054726.556257-
ValeroidineValeroidineME161674-C108691.2671084-
Val IleVal-IleME162934--8.871842-
VelloquercetinVelloquercetinME163147-C101946.3205137-
Vernolic acid12S,13R-EpOMEME161323-C083681.089021-
Vernolic acid + 1.147308712S,13R-EpOMEME161445-C083681.1473087-
XamoterolXamoterolME162636-C117756.6908283-
Xamoterol + 9.089115XamoterolME162941-C117759.089115-
XanthineXanthineME161988-C003853.06367-
XanthoaphinXanthoaphinME161301-C018631.0854591-
Xeniasterol-aXeniasterol-aME163202--1.0918106-
ZK 168281ZK 168281ME162202--4.69521-
ZK 168281 + 3.9079714ZK 168281ME163415--3.9079714-


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-Oxabenzo[def]chrysen-9-one-ME164479-C182812.2907298-
10-Oxabenzo[def]chrysen-9-one - 1.5784571-ME164584-C182811.5784571-
(10S)-Juvenile hormone III diol-ME163778-C165051.1572257-
(10S)-Juvenile hormone III diol - 1.1661133-ME164578-C165051.1661133-
1,11-Undecanedicarboxylic acidTridecanedioic acidME163801--1.1688803-
11-Deoxytetrodotoxin-ME164406-C200269.131393-
11(Z),14(Z)-Eicosadienoic Acid11Z,14Z-Eicosadienoic acidME163618-C165251.0672239-
12,13S-epoxy-9Z,11-octadecadienoic acid-ME163659-C045941.0892818-
1?,25-dihydroxy-11?-[(1R)-oxiranyl]vitamin D3 / 1?...-ME163826--1.2036616-
1?,25-dihydroxy-16,17-didehydrovitamin D3 / 1?,25-...-ME164422--1.1204358-
12-tridecynoic acid12-Tridecynoic acidME164444--1.1482933-
13,14-dihydro-15-keto Prostaglandin J2-ME163737--1.1432635-
13(S)-HpODE13S-HpODEME163754-C047171.134-
(±)14-HDoHE14-HDoHEME163679--1.1001076-
14-keto pentadecanoic acid14-Oxopentadecanoic acidME163721--1.1255863-
15-keto-PGE215-Keto-PGE2ME163805-C047071.1754178-
1,5-Naphthalene diisocyanate-ME163541-C194640.8817621-
16-hydroxy hexadecanoic acidJuniperic acidME164434-C182181.1409479-
16-Oxo-palmitate-ME164435-C196141.1453323-
16(S)-HETE-ME163711--1.1127337-
?17-6-keto PGF1?-ME163812--1.1784481-
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-oneME163619-C154131.0677586-
17-Methyl-5alpha-androstane-11beta,17beta-diol17-Methyl-5alpha-androstane-11beta,17beta-diolME163621-C153991.068426-
18-acetoxy-1?,25-dihydroxyvitamin D3 / 18-acetoxy-...-ME163843--1.2386568-
18-hydroxy-9S,10R-epoxy-stearic acid18-Hydroxy-9S,10R-epoxy-stearic acidME163779--1.1551886-
1'-Acetoxyeugenol acetate1'-Acetoxyeugenol acetateME164282-C104276.207774-
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-ox...-ME164521--1.157571-
1-Naphthalenesulfonic acidNaphthalene-1-sulfonic acidME164558-C162011.063885-
1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphth...-ME164464-C148041.7098279-
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid-ME163676--1.1036218-
20-carboxy-LTB420-Carboxy-LTB4ME163698-C059501.106462-
2,22,25-trideoxyecdysone2,22,25-TrideoxyecdysoneME163680-C164931.100697-
2,2-Dimethylglutaric acid2,2-Dimethylglutaric acidME164452--1.3846548-
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME163515-C001960.832319-
2,3-dinor Thromboxane B12,3-Dinor-TXB1ME164448--1.1924704-
2,4,6-octatrienal2,4,6-OctatrienalME163549--0.8851814-
2,4,6-octatrienal - 1.18279542,4,6-OctatrienalME163816--1.1827954-
2,4-dimethyl-tetradecanoic acid2,4-Dimethyl-tetradecanoic acidME164023--2.1204457-
26,27-diethyl-1?,25-dihydroxy-23-oxavitamin D3 / 2...-ME163673--1.0977546-
2-(7'-Methylthio)heptylmalic acid-ME164529-C172301.5166653-
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentolME163692--1.1077397-
2-Amino-3-hydroxy-5-nitrobenzophenone-ME164069--2.6576576-
2-Benzothiazolesulfonamide-ME163557-C141810.913999-
2'-DeoxyuridineDeoxyuridineME163935-C005261.6549358-
2E-Eicosenoic acid-ME163616--1.0661881-
2-Ethylhexyl-4-hydroxybenzoateHexyl benzoateME163628-C147161.0684062-
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME164009--2.1207018-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME164022-C051232.1209927-
2-Hydroxyfelbamate2-HydroxyfelbamateME163506-C165820.8285713-
2-Hydroxymyristic Acid2-Hydroxymyristic acidME163802--1.1699609-
2-Methoxyestrone 3-sulfate2-Methoxyestrone 3-sulfateME164046-C083582.1595879-
2-methyl-3-hydroxybutyric acid2-Methyl-3-hydroxybutyric acidME163898--1.5347873-
2-Methylbutyrylglycine2-MethylbutyrylglycineME163977--1.9425317-
2-Methylbutyrylglycine - 3.4446882-MethylbutyrylglycineME164102--3.444688-
2-Naphthaleneacetic acid, 6-(sulfooxy)--ME164000--2.1168876-
2-Naphthylamine2-AminonaphthaleneME164220-C022275.844705-
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME164037-C172202.1542516-
2-Oxo-7-methylthioheptanoic acid - 2.15696762-Oxo-7-methylthioheptanoic acidME164476-C172202.1569676-
2-oxo capric acid2-Oxo capric acidME163829-C139451.2034925-
2(R)-HPOT2R-HpOTrEME163686-C163411.1040595-
2S-hydroxy-octadecanoic acid-ME163699-C030451.1116574-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid-ME164457--1.4701248-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 1....-ME164525--1.2354674-
3-(2,3-Dihydroxyphenyl)propanoate-ME164061-C040442.5484023-
3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside-ME163795--1.1641788-
3,4-Dihydroxybenzylamine3,4-DihydroxybenzylamineME163859--1.3006434-
3',4'-dihydroxyflurbiprofen-ME164055--2.2118914-
3,4-Dihydroxyphenylglycol O-sulfate3,4-Dihydroxyphenylglycol O-sulfateME163485--0.7961429-
3,4-Dihydroxypyridine-ME163945-C029321.7126181-
3,4-Dihydroxystyrene3,4-DihydroxystyreneME163478-C062240.78497297-
3,5-Dihydroxy-1,4-naphthoquinone-ME163985-C041102.1146555-
3?,5?-Dihydroxycholan-24-oic Acid-ME163782--1.0939356-
3?,7?,12?-Trihydroxy-24-methyl-5?-cholest-23-en-26...-ME164563--1.1173339-
3?,7?-Dihydroxy-5?-cholestanate - 1.22610183alpha,7alpha-Dihydroxy-5beta-cholestanoic acidME163844-C045541.2261018-
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one3alpha,12alpha,25-Trihydroxy-5beta-cholestan-7-oneME163682--1.1040123-
3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oi...-ME163893--1.4828986-
3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oi...-ME163941--1.6919683-
3-Amino-4,7-dihydroxy-8-methylcoumarin3-Amino-4,7-dihydroxy-8-methylcoumarinME164010-C124662.1206062-
3-(a-Naphthoxy)lactic acid-ME164008--2.1195114-
3-butyrl propionic acid3-Butyrl propionic acidME163813--1.1772108-
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate3-Hydroxy-2-methylpyridine-4,5-dicarboxylateME163775-C046041.1547-
3-Imidazole-2-oxopropanoate3-Imidazol-1-yl-2-oxopropanoic acidME164058-C037622.2933838-
3-Indoleacetic AcidIndoleacetic acidME164523-C009541.181309-
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME163496--0.83569986-
3-Methoxy-androsta-3,5-diene-7,17-dione3-Methoxy-androsta-3,5-diene-7,17-dioneME164429-C149301.1249509-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME164480-C006712.4238033-
3-Methyldioxyindole3-MethyldioxyindoleME163931-C058341.634772-
3-Methyloxindole3-MethyloxindoleME163901-C023661.5397656-
3-Oxoalanine3-OxoalanineME164287--6.219868-
3-oxo-dodecanoic acid3-Oxododecanoic acidME164445-C023671.1906193-
3-Oxohexanoyl-coenzyme A3-Oxohexanoyl-CoAME164575--1.0154475-
3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME163809--1.1754184-
(3R)-3-isopropenyl-6-oxoheptanoic acid-ME163696-C114051.1186116-
3-Sulfino-L-alanine3-Sulfino-alanineME164077-C006062.8190246-
3-Sulfocatechol3-SulfocatecholME163451-C063360.731612-
4,14-Dimethyl-hexadecanoic acid4,14-Dimethyl-hexadecanoic acidME164020--2.120367-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid4-(2-Aminophenyl)-2,4-dioxobutanoic acidME163930-C012521.6341451-
4,4'-Thiodianiline-ME164259-C193036.1085773-
4,4'-Thiodianiline - 6.182754-ME164262-C193036.182754-
4,6-Dihydroxyquinoline4,6-DihydroxyquinolineME164590-C056390.8331557-
4,7,10,13-Hexadecatetraenoic acid4,7,10,13-Hexadecatetraenoic acidME164418--1.0858262-
4E-Decenedioic acid4E-Decenedioic acidME164443--1.1636633-
4-hydroxy-2-oxo-Heptanedioic acid4-Hydroxy-2-oxo-heptanedioic acidME163842-C056011.2411244-
4-Hydroxy-6-methylpyran-2-one-ME163606-C027521.0439814-
4-hydroxybutanoic acid4-Hydroxybutyric acidME163910-C009891.5669972-
4-hydroxy capric acid4-Hydroxycapric acidME164526--1.2467096-
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME163477-C011790.78605634-
4-Octenedioic acid-ME164528--1.3646888-
4-oxo-9Z,11E,13E-octadecatrienoic acidalpha-Licanic acidME163671-C083191.0974531-
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME163830-C064141.221552-
4-Sulfobenzyl alcohol-ME163474-C066780.778158-
5,6-Dihydrouridine5,6-DihydrouridineME163958--1.8466145-
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroqui...-ME164099-C067263.3263607-
5,7,4'-Trihydroxyflavanone 7-sulfate5,7,4'-Trihydroxyflavanone 7-sulfateME163453--0.7316172-
5,7-nonadienal5,7-NonadienalME164562--1.1240278-
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME164084-C163652.9027047-
5alpha-Androstan-17beta-ol propionate-ME163615-C153731.0651481-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide5-Amino-1-Ribofuranosylimidazole-4-carboxyamideME164019-C046632.1273518-
5?-Chola-7,9(11)-dien-24-oic Acid-ME163614--1.0651765-
5-Cholestene-3?,7?,12?,24-tetrol-ME163662--1.103758-
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME163902-C056351.5397311-
5-Hydroxyisourate5-Hydroxyisouric acidME163892-C118211.4616607-
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME164539-C056603.2937427-
5-Methyldeoxycytidine5-MethyldeoxycytidineME164029-C035922.1256495-
5-O-Methylembelin5-O-MethylembelinME163705-C103731.1114756-
5-Oxoavermectin ''2a'' aglyconeHomoserine lactoneME164196-C119705.767298-
5-Oxo-ETE5-Oxo-ETEME163661-C147321.0955794-
5-Sulfosalicylic acid5-Sulfosalicylic acidME163537-C161990.86550575-
5-Sulfosalicylic acid - 0.970046465-Sulfosalicylic acidME163585-C161990.97004646-
5-Sulfosalicylic acid - 1.53435895-Sulfosalicylic acidME163899-C161991.5343589-
5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic aci...-ME163864--1.3189714-
6alpha-Methylprogesterone-ME163626-C145861.0695748-
6-keto-n-caprylic acid6-Ketooctanoic acidME163806--1.1644487-
6-Nitrochrysene-ME163994-C192712.1179392-
6-O-Methyleuparin-ME163874-C087621.4540424-
(6S)-dehydrovomifoliol(6S)-DehydrovomifoliolME163719-C025331.1223623-
7?,12?-Dihydroxy-5?-cholan-24-oic Acid-ME163849--1.2110813-
7,4'-Dihydroxyflavone7,4'-DihydroxyflavoneME163759-C121231.1360292-
7-Decynoic acid, 5-oxo-5-Oxo-7-Decynoic acidME164520--1.1460311-
7-Hydroxydoxazosin-ME164400--7.305836-
7-keto-stearic acid7-Keto-stearic acidME164569--2.1188977-
8-Epiiridotrial glucoside8-Epiiridotrial glucosideME163886-C116521.4519207-
8-Epiiridotrial glucoside - 1.53957578-Epiiridotrial glucosideME163900-C116521.5395757-
8-HETE8-HETEME163683-C147761.09902-
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavoneME164130--4.2811756-
8(S)-HETrE8S-HETrEME164437--1.1098403-
(±)9,10-DiHOME9,10-DiHOMEME163651-C148281.085375-
9,10-dihydroxy stearic acid9,10-Dihydroxystearic acidME163799-C196221.1673945-
9-dodecynoic acid9-Dodecynoic acidME163539--0.87675464-
9-hydroperoxy-12,13-epoxy-10-octadecenoic acid9-Hydroperoxy-12,13-epoxy-10-octadecenoic acidME163814--1.1466906-
9-hydroperoxy-12,13-epoxy-10-octadecenoic acid - 1...9-Hydroperoxy-12,13-epoxy-10-octadecenoic acidME163847--1.2004614-
9-oxo-nonanoic acid9-Oxo-nonanoic acidME163785-C163221.1583015-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid9S,10S,11R-Trihydroxy-12Z-octadecenoic acidME163848--1.2519901-
9S,12S,13S-trihydroxy-10E-octadecenoic acid - 1.33...9,12,13-TriHOMEME163862-C148331.3309315-
(9S,13S)-1a,1b-dihomo-jasmonic acid-ME164576--1.0870699-
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic a...9H-12(13)-EpODEME163768--1.1565818-
9Z,11E,13-Tetradecatrienal9Z,11E,13-TetradecatrienalME163758--1.1314459-
Abu-His-OH-ME163928--1.6212337-
Acetoacetic acidAcetoacetic acidME164080-C001642.8895628-
Adipic acidAdipic acidME163895-C061041.4991586-
AG-18-ME164070--2.7107995-
alhpa-tocopheronolactoneAlhpa-tocopheronolactoneME163738--1.1186355-
AllantoinAllantoinME163971-C015511.8811419-
Alloxydim-ME163774-C187721.1541116-
all-trans-heptaprenyl diphosphateAll-trans-heptaprenyl diphosphateME163652-C042161.0842626-
AllysineAllysineME164124-C014754.075222-
Aminopterin4-Aminofolic acidME163647-D025271.081098-
Angiotensin IIIAngiotensin IIIME163604-C158481.0369911-
AngustibalinAngustibalinME164030-C092932.1351895-
AnhalamineAnhalamineME163612-C122311.064203-
AnhydroglycinolAnhydroglycinolME163458-C102000.7416897-
AnhydrorhodovibrinAnhydrorhodovibrinME164417-C158771.0995163-
AntirrhinosideAntirrhinosideME164050-C097682.1605783-
Arachidonic Acid (peroxide free)Arachidonic acidME163629-C002191.0694298-
Argiotoxin 659Argiotoxin 659ME164294-C139296.4762487-
Arg Pro ThrArg-Pro-ThrME164106--3.5339143-
ArtabsinArtabsinME164519-C093011.114883-
Ascorbate 2-sulfate-ME163456-C028120.7367556-
Asiatic acidAsiatic acidME163845-C086171.2378591-
AspidinAspidinME163740-C106721.1261556-
Aspulvinone HAspulvinone HME163796-C020081.164044-
AuricularineAuricularineME163512-C090430.8304261-
BarbiturateBarbituric acidME163747-C008131.125763-
BendiocarbBendiocarbME164488-C144334.004199-
Benfuresate-ME164256-C184525.9805064-
Benzoic acidBenzoic acidME163736-C001801.1223295-
beta-hydroxylauric acid-ME163820--1.1912678-
BorreverineBorreverineME163510-C090820.8314288-
BotrydialBotrydialME163765-C096221.1455373-
Botrydial - 2.1188974BotrydialME164012-C096222.1188974-
BrucineBrucineME163729-C090841.116074-
Bumetanide M1-ME163645--1.0919282-
Butein 4'-arabinosyl-(1-4)-galactoside-ME163590--0.9921207-
CallicarponeCallicarponeME163714-C090671.1490357-
CapryloylglycineCapryloylglycineME163888--1.4562584-
Capryloylglycine - 2.4119985CapryloylglycineME164535--2.4119985-
CarboxyprimaquineCarboxyprimaquineME163841--1.3665445-
Carboxyprimaquine - 2.2894254CarboxyprimaquineME164478--2.2894254-
CarnosolCarnosolME163791-C090691.1677306-
CaryoptinCaryoptinME164483-C090702.8308132-
CefaclorCefaclorME163472-C068770.7712111-
Chaulmoogric acidChaulmoogric acidME163636-C082821.0733137-
Chaulmoogric acid - 6.7127714Chaulmoogric acidME164320-C082826.7127714-
Chaulmoogric acid - 6.811256Chaulmoogric acidME164368-C082826.811256-
cholesterol sulfateCholesterol sulfateME163513-C180430.831861-
ChymostatinChymostatinME164381-C113086.8710823-
Clobetasol propionateClobetasol propionateME163743--1.1260794-
Coenzyme Q4Coenzyme Q4ME164591--1.1689627-
Compactin diol lactoneML 236AME163792-C141831.1720889-
ConvicineConvicineME164461-C084301.5876749-
CornudentanoneCornudentanoneME163837-C103201.2156321-
CreatinineCreatinineME164133-C007914.383683-
Cucurbitacin SCucurbitacin SME163526-C088060.84243673-
CymarinCymarinME163657-C088591.0941874-
CytidineCytidineME164128-C004754.232026-
Cytidine - 9.126549CytidineME164407-C004759.126549-
D-(+)-3-Phenyllactic acidL-3-Phenyllactic acidME163545-C056070.8846165-
Daimuron-ME164567-C184271.5967797-
D-AlanineD-AlanineME164401-C001337.307549-
DCI-ME163980-C117722.1149712-
Debromohymenialdisine-ME163988-C198972.1098592-
DecosideDecosideME164581-C088601.0874441-
DecursinolDecursinolME163983-C092592.107255-
DemethyltexasinDemethyltexasinME163685-C143141.1064692-
deschlorobenzoyl Indomethacin-ME164139--4.615958-
desmethylnortriptyline glucuronide-ME164509--0.9662047-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*ME163668--1.0917486-
DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0)DG 15:0/22:4(7Z,10Z,13Z,16Z)/0:0*ME163755--1.1307318-
DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)DG 15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*ME163772--1.1532649-
DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)DG 20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0*ME164426--1.1219213-
DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)DG 22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME163723--1.1158994-
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)DG 22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0*ME163697--1.1074431-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0*ME163712--1.111895-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0)DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0*ME164424--1.102297-
D-Glucose 6-sulfateD-Glucose 6-sulfateME163716-C028271.1156061-
D-GlutamineD-GlutamineME164398-C008197.177983-
Diethyl adipate-ME163873-C145661.4122254-
Diethyl adipate - 1.2166648-ME164447-C145661.2166648-
Dihydroclavaminic acidDihydroclavaminic acidME164549-C066596.4773746-
Dihydrojasmonic Acid, Methyl Ester-ME163713--1.1157472-
Dihydrojasmonic Acid, Methyl Ester - 1.2360836-ME163850--1.2360836-
dihydrophaseic acidDihydrophaseic acidME164470-C159711.9342897-
Dimethyl adipateDimethyl adipateME163860-C145701.317512-
Di-n-decyl phthalate-ME163678-C145051.0997345-
Dinoseb2-(1-Methylpropyl)-4,6-dinitrophenolME163582-C143020.9667774-
DL-2-Aminoadipic acidalpha-Aminoadipic acidME164542--5.8714004-
DL-3-hydroxy caproic acid3-Hydroxycaproic acidME164491--5.4513288-
DL-9-hydroxy stearic acid9-Hydroxy stearic acidME163787--1.1617153-
DL-a-Hydroxybutyric acid2R-Hydroxybutyric acidME163876-C059841.4291327-
D-Leucic acidD-Leucic acidME163868-C032641.3888779-
DL-SerineSerineME164362-C007166.8079095-
DL-TyrosineTyrosineME164273-C015366.186845-
DL-Tyrosine - 6.185105TyrosineME164498-C015366.185105-
Docosanedioic acidDocosanedioic acidME164425-C196251.1126282-
docusate2-MethylacetophenoneME164534-C078742.1182919-
Dodecanedioic acidDodecanedioic acidME163807-C026781.1756431-
doxylamineDoxylamineME163580--0.9955655-
D-PhenylalanineD-PhenylalanineME164249-C022655.967726-
D-ProlineD-ProlineME164308-C007636.662177-
Drazoxolon-ME163881-C189291.4296914-
D-SorbitolSorbitolME164100-C007943.36174-
D-TryptophanD-TryptophanME164413-C005251.0612248-
DulcitolGalactitolME164202-C016975.8264937-
edetateEdetic acidME163959-C002841.8477808-
EmbelinEmbelinME163770-C103421.1502733-
Embelin - 2.1210034EmbelinME164013-C103422.1210034-
epi-4'-hydroxyjasmonic acidEpi-4'-hydroxyjasmonic acidME163766--1.1631896-
EpibatidineEpibatidineME164042-C116902.155493-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoateEpicatechin 5-O-beta-D-glucoside-3-benzoateME164074--2.8302107-
Erythromycin CErythromycin CME164552-C066167.041082-
Ethyl 3-(N-butylacetamido)propionate-ME163872-C188301.4071358-
Ethyl (R)-3-hydroxyhexanoateEthyl (R)-3-hydroxyhexanoateME163858-C038641.3056948-
Etioporphyrin III-ME163514--0.8326201-
EvodiamineEvodiamineME164031-C091872.1352677-
Falaconitine-ME164551-C086836.976751-
Fampridine4-AminopyridineME163956-C137281.761673-
Fampridine - 2.74167014-AminopyridineME164071-C137282.7416701-
FaropenemFaropenemME164081-C133102.9003725-
FenothiocarbFenothiocarbME164489-C110844.235811-
FerimzoneFerimzoneME163800-C185791.1578294-
FexofenadineFexofenadineME164174-C069995.5387588-
Fexofenadine - 5.6491313FexofenadineME164185-C069995.6491313-
Forchlorfenuron-ME164277-C186046.196276-
Formimidoyl-fortimicin A-ME163748-C179791.1272665-
Furfural diethyl acetal-ME163932-C142801.6419237-
FurmecycloxFurmecycloxME163609-C189121.055813-
Fusarin C-ME164416-C192431.078372-
Gal?1-3[Neu5Ac?2,6]GalNAc?-Thr-ME164502--6.6139793-
Ganglioside GA2 (d18:1/16:0)-ME164338-C061356.746597-
Ganglioside GA2 (d18:1/9Z-18:1)-ME164348-C061356.7670865-
Ginkgolic AcidGinkgolic acidME163672-C107941.0937707-
Glu SerGlu-SerME164094--3.1554823-
Glutaric acidGlutaric acidME163939-C004891.674779-
Goniothalenol - 2.1228929AltholactoneME164053-C099302.1228929-
GuanosineGuanosineME164125-C003874.06969-
GW 409544-ME164583-C156231.4643068-
GymnodimineGymnodimineME164313-C200256.674411-
Gymnodimine - 6.775499GymnodimineME164350-C200256.775499-
HalfordinolHalfordinolME163501-C105960.80608374-
Hellebrigenin 3-acetateHellebrigenin 3-acetateME163702-C088671.108578-
Hexadecanedioic acidHexadecanedioic acidME163764-C082601.1530219-
Hippuric acidHippuric acidME164538-C015863.1511285-
His His GluHis-His-GluME164092--3.0020556-
His-Phe-OH-ME164571--2.1580293-
Homocysteinesulfinic acidHomocysteinesulfinic acidME164104--3.4792216-
Homoserine lactoneHomoserine lactoneME164198-C029265.819209-
Homoveratric acidHomoveratric acidME163818--1.1758742-
HR1917-ME163689-C153431.1037077-
HydroquinoneHydroquinoneME163450-C005300.7317022-
Hydroquinone - 0.8294034HydroquinoneME163509-C005300.8294034-
?-Hydroxyisovaleric acidHydroxyisovaleric acidME164570--2.1252458-
?-Hydroxypyruvic acidHydroxypyruvic acidME164145-C001684.64277-
HymenoflorinHymenoflorinME163734-C094801.1162913-
HymenoxonHymenoxonME163828-C094821.1937623-
IAA-94-ME164052-C137032.1703522-
Icaritin 3-rhamnosideIcaritin 3-rhamnosideME164456--1.4621562-
Ile Arg IleIle-Arg-IleME163720--1.1145331-
IndoleIndoleME164126-C004634.094502-
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME163762-C084931.14343-
Indole - 5.8447213IndoleME164228-C004635.8447213-
Ingenol 3,20-dibenzoateIngenol 3,20-dibenzoateME163950-C091131.713355-
Isodomedin - 1.2324258IsodomedinME163833-C091151.2324258-
Isovaleric acidIsovaleric acidME163897-C082621.498921-
IsovalerylsarcosineIsovalerylsarcosineME164098--3.2197332-
Istamycin A3-ME163780-C179891.1572971-
Jasmonic acidJasmonic acidME163819-C084911.188357-
Jasmonic acid - 1.1212678Jasmonic acidME164514-C084911.1212678-
KanamycinKanamycinME163962-C018221.8806869-
KAPAAcetoacetic acidME163903-C010921.5392792-
KAPA - 2.9342902Acetoacetic acidME164485-C010922.9342902-
Kikkanol D-ME164442-C176061.163185-
LactaldehydeLactaldehydeME163879-C059991.4284569-
Lactaldehyde - 2.1190975LactaldehydeME164018-C059992.1190975-
Lactic acidLactic acidME164064-C014322.5364687-
L-Ascorbic acidVitamin CME163455-C000720.7367018-
Lauryl hydrogen sulfateDopamineME163511-C111660.83064514-
Lauryl hydrogen sulfate - 2.119083DopamineME163995-C111662.119083-
Lesquerolic acidLesquerolic acidME164512--1.1050663-
L-Glutamic acid n-butyl ester-ME164103--3.4723406-
L-HomotyrosineHomotyrosineME163622-C186221.0673876-
?-Linolenic AcidOctadecatrienoic acidME163639-C064271.0758681-
L-IsoleucineIsoleucineME164272-C004076.1858974-
L-LeucineLeucineME164261-C001236.1090474-
L-MethionineMethionineME164280-C000736.1970496-
lokundjosideLokundjosideME164559-C088741.0820272-
LosartanLosartanME164439-C070721.1650151-
LucidulineLucidulineME163955-C098721.7359345-
LysoPE(0:0/18:0)LPE 0:0/18:0ME164186--5.663514-
LysoPE(0:0/18:0) - 6.735483LPE 0:0/18:0ME164331--6.735483-
LysoPE(0:0/18:0) - 6.834247LPE 0:0/18:0ME164372--6.834247-
LysoPE(0:0/18:1(11Z))LPE 0:0/18:1(11Z)ME164188--5.6772294-
LysoPE(0:0/18:2(9Z,12Z))LPE 0:0/18:2(9Z,12Z)*ME164190--5.705796-
LysoPE(0:0/20:0)LPE 0:0/20:0ME164346--6.760607-
LysoPE(0:0/20:2(11Z,14Z))LPE 0:0/20:2(11Z,14Z)*ME164325--6.7130117-
m-Cresolm-CresolME163857-C014671.2975398-
meso-Tartaric acidMeso-tartaric acidME163600-C005521.0218455-
Methanesulfonic acidMethanesulfonic acidME164028-C111452.1216273-
MethituralMethituralME163921-C075581.5883406-
methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethy...-ME163730-C048671.1182053-
MethylglyoxalPyruvaldehydeME163927-C005461.596375-
Methyl jasmonateMethyl jasmonateME163695-C115121.1242819-
Methyl N-(a-methylbutyryl)glycineAzelaic acidME163855-C082611.2627705-
Metsulfovax-ME164363-C189346.8064804-
MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)MG 24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0*ME163823--1.1997329-
MiboleroneMiboleroneME163635-C142551.0733768-
MID42332:(22R)-1?,22,25-trihydroxy-26,27-dimethyl-...-ME163825--1.2011917-
MID42391:26,27-diethyl-1?,25-dihydroxy-20,21-dideh...-ME164440--1.1735598-
Minosaminomycin-ME164477-C179692.2099528-
Monomethyl sulfateMethyl sulfateME163579-C027040.95406026-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME164472-C129862.1113331-
N4-PhosphoagmatineN(4)-PhosphoagmatineME163854-C027261.2385699-
N-acetyl-2-carboxy Benzenesulfonamide-ME163482--0.7931195-
N-Acetyl-DL-methionineN-AcetylmethionineME164119--3.916011-
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME164097-C031373.2113614-
N-AcetylgalactosaminateN-AcetylgalactosaminateME164274-C034086.187944-
N-Acetyl-leu-leu-leu-tyr-amideNAc-L3Y-amideME164358-C112966.7983794-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME164107--3.5382733-
Nanchangmycin-ME164160-C120474.760864-
NaringinNaringinME163589-C097890.986263-
Nemertelline-ME164496-C170165.9758925-
N-FormylmethionineN-FormylmethionineME164127-C031454.1363745-
Nicotinamide N-oxideNicotinamide N-oxideME163957--1.76117-
Nigakilactone B-ME163804-C170131.1701047-
NitrofurazoneNitrofurazoneME163867-C080421.3758582-
N-linoleoyl taurineN-Linoleoyl taurineME163871--1.3992633-
N,N-Dihydroxy-L-tyrosineN,N-Dihydroxy-tyrosineME164245-C155035.953198-
Nocardicin D-ME164076-C173532.8144095-
N-octanoyl-L-Homoserine lactone-ME164056--2.2647219-
NorwogoninNorwogoninME163447-C101130.73201704-
NVP-BEZ235-ME164415--1.0749508-
o-Coumaric acidtrans-o-Coumaric acidME163821-C017721.1895788-
OleandolideOleandolideME164114-C119903.764336-
OlprinoneOlprinone hydrochlorideME164066-C135462.589613-
Orotic acidOrotic acidME164111-C002953.6877422-
Oxidized Watasenia luciferinOxidized Watasenia luciferinME163725-C038881.1172457-
Oxolinic AcidOxolinicacidME164278-C113426.1931624-
Oxolinic Acid - 6.190845OxolinicacidME164546-C113426.190845-
PA(20:2(11Z,14Z)/0:0)PA 20:2(11Z,14Z)/0:0*ME163963--1.8813349-
Palmitic acidPalmitic acidME163638-C002491.0750768-
Palmitic acid - 6.8347077Palmitic acidME164375-C002496.8347077-
Palmitoyl glucuronidePalmitoyl glucuronideME163756-C030331.1297914-
Pantoic acid(R)-Pantoic acidME164467-C005221.8465428-
Pantothenic AcidPantothenic acidME164059-C008642.5208025-
p-Benzosemiquinone-ME163454-C023890.7324581-
PD 169316-ME164511--1.082761-
PE(16:0/0:0)LPE 16:0/0:0ME164193--5.7233253-
PE(20:2(11Z,14Z)/18:2(9Z,12Z))PE 20:2(11Z,14Z)/18:2(9Z,12Z)*ME164163-C003504.801623-
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))PE 20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)*ME164162-C003504.777125-
PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))PE 20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)*ME164490-C003505.420885-
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))PE 20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)*ME164161-C003504.771625-
PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))PE 20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*ME164156-C003504.7443237-
PE(20:3(8Z,11Z,14Z)/P-18:0)-ME164593-C003504.841394-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))-ME164165-C003504.7987056-
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))-ME164155-C003504.7289543-
Penicilloic G acid-ME164275-C166726.1911063-
PE(O-20:0/22:0)PE O-20:0/22:0ME164241--5.9208236-
PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME164585--4.838579-
Perfluorooctanesulfonic acidPerfluorooctanesulfonic acidME163440-C181420.71050334-
Petroselinic acid6-Octadecylenic acidME163630-C083631.0698535-
PGE3 1,15-lactonePGE3 1,15-lactoneME164451--1.2388207-
PGF2?PGF2ME163840-C006391.2394578-
Phe Lys HisPhe-Lys-HisME164421--1.0886667-
PhenolPhenolME163471-C001460.77064246-
Phenylacetic acidPhenylacetic acidME163750-C070861.1291705-
Phenylacetic acid - 2.5097709Phenylacetic acidME164060-C070862.5097709-
Phenyl sulfatePhenyl hydrogen sulfateME163469-C008500.77008986-
PI(18:1(11Z)/16:1(9Z))PI 18:1(11Z)/16:1(9Z)*ME164158-C006264.7577825-
PI(18:1(9Z)/18:1(9Z))PI 18:1(9Z)/18:1(9Z)*ME164153-C006264.7284927-
PI(18:1(9Z)/18:2(9Z,12Z))PI 18:1(9Z)/18:2(9Z,12Z)*ME164152--4.7113395-
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))PI 18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME164142--4.631914-
PI(20:3(5Z,8Z,11Z)/18:1(11Z))PI 20:3(5Z,8Z,11Z)/18:1(11Z)*ME164143-C006264.6371-
PI(20:4(8Z,11Z,14Z,17Z)/16:0)PI 20:4(8Z,11Z,14Z,17Z)/16:0*ME164148-C006264.6654606-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...PI 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME164556--1.0343332-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*ME164140-C006264.6102796-
PolhovolidePolhovolideME163704-C095321.1095816-
Portulal3-Methoxy-androsta-3,5-diene-7,17-dioneME164428-C091751.1219727-
Propionic acidPropionic acidME163967-C001631.8676617-
Prostaglandin D1 Alcohol-ME164517--1.1545147-
PS(12:0/22:0)PS 12:0/22:0*ME164458--1.520983-
PS(18:0/20:2(11Z,14Z))PS 18:0/20:2(11Z,14Z)*ME164543--5.9332275-
PS(18:1(9Z)/16:1(9Z))PS 18:1(9Z)/16:1(9Z)*ME164468--1.8543673-
PS(19:0/0:0)LPS 19:0/0:0ME164380--6.8642173-
PS(19:0/16:0)PS 19:0/16:0*ME164182--5.592865-
PS(19:0/16:1(9Z))PS 19:0/16:1(9Z)*ME164171--5.4554877-
PS(21:0/20:4(5Z,8Z,11Z,14Z))PS 21:0/20:4(5Z,8Z,11Z,14Z)*ME164170--5.4540076-
PyridafenthionPyridaphenthionME164233-C187625.844303-
Pyroglutamic acidPyroglutamic acidME164285-C018796.2150803-
Pyroglutamic acid - 6.2167535Pyroglutamic acidME164499-C018796.2167535-
RamiprilRamiprilME164116-C072323.80262-
Rhizocticin ARhizocticin AME164588-C179440.83456796-
Ribonic acidRibonic acidME163599-C016851.0155679-
Ricinoleic acidRicinoleic acidME163715-C083651.11644-
Ripazepam-ME164441-C195181.1738787-
RishitinRishitinME163773-C097151.1470741-
S-(2,4-Dinitrophenyl)glutathioneS-(2,4-Dinitrophenyl)glutathioneME163538-C111750.8928392-
SalanninSalanninME164189-C087805.7137284-
SarcosineSarcosineME164487-C002133.5752156-
S-(Carboxymethyl)-L-cysteineS-Carboxymethyl-cysteineME164105-C037273.4960835-
Scarlet Red-ME163641-C195201.0748825-
SedoheptuloseGlucoheptuloseME164032-C020762.145603-
Sinulobatin ASinulobatin AME163665--1.0921416-
Spirodilactone-ME163982-C069862.1147382-
SpironolactoneSpironolactoneME164466-C073101.7677959-
Stearic acidStearic acidME163623-C015301.0680251-
Stearic acid - 6.7605224Stearic acidME164343-C015306.7605224-
Succinic acidSuccinic acidME163966-C000421.8672279-
Succinic acid - 2.118289Succinic acidME164011-C000422.118289-
Succinic anhydrideSuccinic anhydrideME164197-C195245.814591-
Succinic anhydride - 5.8640885Succinic anhydrideME164586-C195245.8640885-
Sugetriol-ME163781-C175021.1680126-
SulfolithocholylglycineSulfoglycolithocholic acidME164085-C113012.9382262-
Sulfolithocholylglycine - 2.9932208Sulfoglycolithocholic acidME164090-C113012.9932208-
Sulfolithocholylglycine - 4.0221667Sulfoglycolithocholic acidME164121-C113014.0221667-
TaurineTaurineME164179-C002455.5811996-
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME164108-C054653.5944006-
Taurochenodeoxycholic acid - 3.6667702Taurochenodeoxycholic acidME164113-C054653.6667702-
Taurohyocholic acidTaurohyocholic acidME164118-C155163.9026082-
Taurohyocholic acid - 4.0034986Taurohyocholic acidME164120-C155164.0034986-
Taurohyocholic acid - 4.322024Taurohyocholic acidME164132-C155164.322024-
Taurohyocholic acid - 4.592833Taurohyocholic acidME164137-C155164.592833-
Taurohyocholic acid - 4.759052Taurohyocholic acidME164157-C155164.759052-
TauropineTauropineME164088-C016162.9571037-
TeniposideTeniposideME163793-C111531.16396-
Tetradecanedioic acidTetradecanedioic acidME163784-C110021.1574907-
Tetradecanedioic acid - 1.2295798Tetradecanedioic acidME163834-C110021.2295798-
Tetradecyl sulfate-ME163502-D068820.8230049-
Tetrahydroneopterin-ME164266--6.1839027-
Thr-Asp-OH-ME164204--5.822926-
Thr Gly ThrThr-Gly-ThrME164095--3.1588783-
ThymidineThymidineME163923-C002141.5883137-
TopotecanTopotecanME163620-C111581.0662354-
Totarol-19-Carboxylic Acid-ME163667--1.1123343-
trans-9-palmitoleic acidPalmitelaidic acidME163643-C083621.0773731-
Tricetin 7,3'-diglucuronideTricetin 7,3'-diglucuronideME163601--1.0315224-
TropicamideTropicamideME164474--2.1231537-
Trp Thr TyrTrp-Thr-TyrME164475--2.1459084-
TryptophanTryptophanME164231-C008065.844762-
Tuberonic acid glucosideTuberonic acid glucosideME164087-C085582.9704542-
UracilUracilME163889-C001061.456582-
Uracil - 3.6865609UracilME164112-C001063.6865609-
Uric acidUric acidME164115-C003663.790449-
UridineUridineME163948-C002991.7130746-
Uridine - 2.2936547UridineME164057-C002992.2936547-
Urocanic acidUrocanic acidME164572-C007852.7396026-
ValineValineME164290-C164366.334648-
ValnemulinValnemulinME164582-C120661.0875113-
Vernolic acid12S,13R-EpOMEME163707-C083681.1061225-
VidarabineVidarabineME164096-C071953.1623676-
XanthineXanthineME163979-C003852.0160277-
XanthosineXanthosineME164537-C017623.071348-
Xanthoxic acidXanthoxic acidME163724-C134541.1174362-
Xanthoxin-ME163757-C134531.1329747-
Yellow AB-ME164594-C195520.74829733-


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
(-)-11-hydroxy-9,10-dihydrojasmonic acid11-Hydroxy-9,10-dihydrojasmonic acidME164672--4.6477866-
1,2-Dioctanoyl-sn-glycerol-ME164724--13.463746-
13,14-dihydro Prostaglandin F1?-ME164706--10.526692-
1,4-NaphthoquinoneNaphthoquinoneME164659-C026171.9779603-
1,5-Anhydrosorbitol1,5-AnhydrosorbitolME164625-C073261.0283113-
18-hydroxy-9S,10R-epoxy-stearic acid18-Hydroxy-9S,10R-epoxy-stearic acidME164699--10.447966-
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME164630--1.0611482-
1-Ethyl-1,3-dimethyl-cyclohexane skeleton-ME164683--7.1010733-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...-ME164693-C1502710.106113-
2,3-bis (4-Hydroxyphenyl) Propionitrile2,3-bis(4-Hydroxyphenyl)propionitrileME164665--3.4485347-
2(5H)-Furanone4-Hydroxy-2-butenoic acid gamma-lactoneME164647-C176011.326162-
2-(6'-Methylthio)hexylmalic acid-ME164635-C172261.1439302-
2-Amino-3-methyl-1-butanol-ME164612--0.93268967-
2-Amino-3-methyl-1-butanol + 10.466517-ME164701--10.466517-
2-Aminopropanol2-AminopropanolME164619--0.98570514-
2-Methyleneglutarate-ME164646-C029301.3262916-
3,6-dioxo-decanoic acid3,6-Dioxo-decanoic acidME164660--3.0615351-
3-ketosphingosine3-KetosphingosineME164723--13.001573-
4-heptynoic acid4-Heptynoic acidME164643--1.3236178-
4-Hydroxy-2-butynal4-Hydroxybut-2-ynalME164610-C026480.9157354-
4-Oxoproline4-Oxo-prolineME164644-C018771.3279362-
6-Methoxyquinoline6-MethoxyquinolineME164661--3.1908777-
7(Z),11(Z)-Heptacosadiene7Z,11Z-HeptacosadieneME164750--5.0781894-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid9,13-Dihydroxy-10-ethoxy-11-octadecenoic acidME164698--10.442167-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10...9,13-Dihydroxy-10-ethoxy-11-octadecenoic acidME164742--10.442588-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10...9,13-Dihydroxy-10-ethoxy-11-octadecenoic acidME164707--10.527603-
Acetoacetic acidAcetoacetic acidME164617-C001640.96769637-
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME164740-C026591.3337828-
ADMADimethylarginineME164631-C036261.0736225-
AlanineAlanineME164620-C014010.98917526-
alpha-Hydroxytamoxifenalpha-HydroxytamoxifenME164688-C165448.097681-
AmitroleAmitroleME164601-C112610.8528662-
AvizafoneAvizafoneME164737-C1172510.521523-
Barbital5,5-Diethylbarbituric acidME164654--1.5800242-
BenzaldehydeBenzaldehydeME164663-C002613.3674893-
BuprenorphineBuprenorphineME164697-C0800710.409461-
C12CAR 12:0ME164749--0.7959821-
Caproic acidCaproic acidME164650-C015851.331534-
CB371710-Propargyl-5,8-dideazafolic acidME164685-C117378.012016-
CorticosteroneCorticosteroneME164686-C021408.021635-
CreatinineCreatinineME164623-C007911.0088667-
DL-pipecolic acidPipecolic acidME164600-C004080.83639187-
endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3...-ME164682--6.572036-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...-ME164692-C153829.476321-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...-ME164704-C1538210.542064-
FexofenadineFexofenadineME164714-C0699911.028918-
GymnodimineGymnodimineME164718-C2002511.296145-
Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptano...-ME164628--1.04263-
HydroxyibuprofenHydroxyibuprofenME164690--8.850112-
Ile ProIle-ProME164747--1.3288687-
Indoleacrylic acidIndoleacrylic acidME164668-C003313.9084373-
IsowillardiineIsowillardiineME164618-C082890.9697428-
L-alpha-glutamyl-L-hydroxyproline-ME164689--8.386641-
L-Glutamic acid dibutyl ester-ME164736--5.744078-
L-Glutamic acid n-butyl ester-ME164648--1.3262129-
L-Glutamic acid n-butyl ester + 1.51668-ME164651--1.51668-
L-IsoleucineIsoleucineME164731-C004071.932036-
L-LeucineLeucineME164657-C001231.7926453-
L-Pipecolic acidPipecolic acidME164629-C004081.055295-
L-TryptophanTryptophanME164741-C000783.9088888-
L-ValineValineME164614-C001830.93732774-
L-Valine + 1.2355758ValineME164638-C001831.2355758-
Lys Lys LysLys-Lys-LysME164700--10.46364-
Lys Lys Lys + 10.543157Lys-Lys-LysME164708--10.543157-
LysoPE(0:0/18:2(9Z,12Z))LPE 0:0/18:2(9Z,12Z)*ME164715--11.047896-
LysoPE(0:0/22:0)LPE 0:0/22:0ME164722--12.834578-
MethdilazineMethdilazineME164666-C071753.5842211-
MS-275-ME164751--5.0790086-
N4-AcetylaminobutanalN4-AcetylaminobutanalME164639-C059361.3036062-
N(alpha)-t-Butoxycarbonyl-L-leucine-ME164667-C043013.8533192-
N(alpha)-t-Butoxycarbonyl-L-leucine + 3.9469597-ME164669-C043013.9469597-
Naphthalic anhydride-ME164606-C191250.90065885-
Niacin (Nicotinic acid)Nicotinic acidME164632-C002531.097304-
Nitrapyrin-ME164677-C187515.145276-
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME164733-C111183.538678-
N-n-Hexanoylglycine methyl ester-ME164627--1.0380604-
OxindoleIndolin-2-oneME164671-C123124.357333-
OxyquinolineQuinolin-8-olME164681-C194346.1905494-
p-Aminobenzoic acidp-Aminobenzoic acidME164739-C005680.99348116-
Pantoic acid(R)-Pantoic acidME164735-C005224.2516723-
PE(18:0/0:0)LPE 18:0/0:0ME164713--11.020047-
PE(19:1(9Z)/0:0)PE 19:1(9Z)/0:0ME164703--10.510197-
PE(19:1(9Z)/0:0) + 10.729481PE 19:1(9Z)/0:0ME164709--10.729481-
PE(19:1(9Z)/0:0) + 10.803823PE 19:1(9Z)/0:0ME164710--10.803823-
Phe His PhePhe-His-PheME164673--4.6606-
Phenacylamine-ME164652--1.5968683-
Phenylpyruvic acidPhenylpyruvic acidME164653-C001661.5971736-
PiperideinePiperideineME164599-C061810.8367317-
Piperideine + 1.3051474PiperideineME164640-C061811.3051474-
PrometonPrometonME164656-C141861.5912669-
Prometon + 1.7550333PrometonME164658-C141861.7550333-
Prostaglandin D1 Alcohol-ME164705--10.530775-
Rebaudioside C-ME164687--8.096962-
Sarcoaldesterol A-ME164748-C196568.010402-
(S)-ATPA(S)-ATPAME164634-C137331.1289841-
TaurineTaurineME164607-C002450.89985734-
(+)-Tephrorin ATephrorin AME164684--8.011135-
TetrahydrofuranTetrahydrofuranME164670--4.1956863-
Thr Ser SerThr-Ser-SerME164624--1.0145044-
Tranexamic acidTranexamic acidME164642-C125351.3197683-
Traumatic AcidTraumatic acidME164675-C163084.7458344-
Trp Tyr TyrTrp-Tyr-TyrME164745--5.0374207-
Tubastatin A-ME164732--3.1900206-
Tyr Thr GlnTyr-Thr-GlnME164676--5.035639-
UreaUreaME164615-C000860.9478241-
Uric acidUric acidME164641-C003661.312818-
Val GlyVal-GlyME164730--1.0840595-


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