Exact Mass: 214.0855
Exact Mass Matches: 214.0855
Found 500 metabolites which its exact mass value is equals to given mass value 214.0855,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metribuzin
CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7967; ORIGINAL_PRECURSOR_SCAN_NO 7966 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8016; ORIGINAL_PRECURSOR_SCAN_NO 8014 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8001; ORIGINAL_PRECURSOR_SCAN_NO 7999 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8018; ORIGINAL_PRECURSOR_SCAN_NO 8016 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7922; ORIGINAL_PRECURSOR_SCAN_NO 7921 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7961; ORIGINAL_PRECURSOR_SCAN_NO 7959 CONFIDENCE standard compound; EAWAG_UCHEM_ID 90 CONFIDENCE standard compound; INTERNAL_ID 8388 CONFIDENCE standard compound; INTERNAL_ID 3130 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Ichthyotherol
Dihydropinosylvin
Dihydropinosylvin is a member of the class of resorcinols carrying an additional 2-phenylethyl substituent at position 5. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a member of resorcinols and a diphenylethane. Dihydropinosylvin is a natural product found in Dioscorea mangenotiana, Stemona tuberosa, and other organisms with data available. A member of the class of resorcinols carrying an additional 2-phenylethyl substituent at position 5. Dihydropinosylvin is a stilbenoid that can be found in Stemona collinsae[1]. Dihydropinosylvin is a stilbenoid that can be found in Stemona collinsae[1].
(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol
(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol is converted from cis-stilbene oxide via the enzyme microsomal epoxide hydrolase (EC 3.3.2.9). This is a key hepatic enzyme that is involved in the metabolism of numerous xenobiotics, such as 1,3-butadiene oxide, styrene oxide and the polycyclic aromatic hydrocarbon benzo[a]pyrene 4,5-oxide. [HMDB] (+)-(1R,2R)-1,2-Diphenylethane-1,2-diol is converted from cis-stilbene oxide via the enzyme microsomal epoxide hydrolase (EC 3.3.2.9). This is a key hepatic enzyme that is involved in the metabolism of numerous xenobiotics, such as 1,3-butadiene oxide, styrene oxide and the polycyclic aromatic hydrocarbon benzo[a]pyrene 4,5-oxide. (R,R)-(+)-Hydrobenzoin is a organocatalysts[1].
(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene is found in herbs and spices. (E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene is a constituent of roots of Tanacetum vulgare (tansy)
Methyl bisnorbiotinyl ketone
Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841). The urinary excretion of Methyl bisnorbiotinyl ketone a increased with biotin administration. (PMID 9022537). Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841)
Ethyl 1-naphthylacetic acid
Ethyl 1-naphthylacetic acid is a plant growth regulator used to promote root growth
Ethyl 3-[(2-furanylmethyl)thio]propanoate
Ethyl 3-[(2-furanylmethyl)thio]propanoate is a flavouring ingredient with roasted, nutty-coffee taste at 10ppm. Flavouring ingredient with roasted, nutty-coffee taste at 10ppm
4-(4-Nitrobenzyl)pyridine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
Etanidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Tetradeca-4,6-diene-8,10,12-triyne-1-ol
Tetradeca-4,6-diene-8,10,12-triyne-1-ol is a member of the class of compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Tetradeca-4,6-diene-8,10,12-triyne-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Tetradeca-4,6-diene-8,10,12-triyne-1-ol can be found in mugwort, which makes tetradeca-4,6-diene-8,10,12-triyne-1-ol a potential biomarker for the consumption of this food product.
dmst
CONFIDENCE standard compound; EAWAG_UCHEM_ID 340 EAWAG_UCHEM_ID 340; CONFIDENCE standard compound
4-(4-Nitrobenzyl)pyridine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
1,4-bis(hydroxymethyl)-3-hydroxy-3,4,6,7,3a,7a-hexahydro-6-oxainden-5-one|morindacin
(4E,6Z)-form-4,6-Tetradecadiene-8,10,12-triyne-1,3-diol,|Tetradeca-4E,6Z-dien-8,10,12-triin-1,3-diol|tetradeca-4t,6c-diene-8,10,12-triyne-1,3-diol
1.1-Dimethyl-cyclobutan-essigsaeure-(4)-oxalylsaeure-(2)|2-Oxo-2,2-(2,2-dimethyl-cyclobutan-1,3-diyl)-di-essigsaeure|2-oxo-2,2-(2,2-dimethyl-cyclobutane-1,3-diyl)-di-acetic acid|Pinoyl-ameisensaeure
2-Me ether-(R,E,E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol
(3R,4S,5R,7S,8S,9S)-3,8-epoxy-1,7di-hydroxydihyronepetalactone|jatamanin E
(+-)-Xanthorrhoein|5-Methoxy-2-methyl-2,3-dihydro-benzo[de]chromen|5-methoxy-2-methyl-2,3-dihydro-benzo[de]chromene|Xanthorrhoein
4,5-Epoxide-4,6-Tetradecadiene-8,10,12-triyn-1-ol|4,5-Epoxy-6t-tetradecen-8,10,12-triin-1-ol
multiplolide A
A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8. Multiplolide A was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans.
5-(4,5-Dihydroxypentyl)uracil
A nucleobase analogue that is uracil substituted at position 5 by a 4,5-dihydroxypentyl group.
(+-)-trans-Seneciphyllinsaeure|(R,E)-Seneciphyllic acid|Senecinphyllinsaeure|seneciphyllic acid|Seneciphyllinsaeure|trans-(+-)-Seneciphyllinsaeure
5,6-bis(hydroxymethyl)-4,5,6,8-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one|enicostemin A
4,5,6-trihydroxy-3-methyl-3,4,6,7-tetrahydro-1H-isochromen-8(5H)-one
3,4,4,5-Tetramethoxy-2,5-cyclohexadien-1-one|3,4,4,5-tetramethoxycyclohexa-2,5-dien-1-one|3,4,4,5-Tetramethoxycyclohexa-2,5-dienon|3,4,4,5-tetramethoxycyclohexa-2,5-dienone|pisodienone
5-hydroxy-tetradec-6t-ene-8,10,12-triynal cyclohemiacetal|6-non-1-ene-3,5,7-triyn-t-yl-tetrahydro-pyran-2-ol
methyl 1-hydroxy-2-methoxy-5-ene-4-oxocyclohexanacetate
2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d]diimidazole
1t-phenyl-heptatrien-(1.3t.5t)-oic acid-(7)-methyl ester|1t-Phenyl-heptatrien-(1.3t.5t)-saeure-(7)-methylester|7-phenyl-hepta-2,4,6-trienoic acid methyl ester|7-Phenyl-hepta-2,4,6-triensaeure-methylester|methyl (2E,4E,6E)-7-phenylhepta-2,4,6-trienoate|methyl 7-phenyl-2,4,6-heptatrienoate|methyl 7-phenyl-2E,4E,6E-heptatrienoate
4,4-Dimethyl-7??,8??-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one
(1R,4R,4aS,7aS)-4,7-Dihydroxymethyl-1-hydroxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-hydroxy-4-epigardendiol
etanidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Cyh-chid
3,4-O-Isopropylidene-shikimicn acid is a natural product that can be isolated from the whole plants of Hypericum wightianum. 3,4-O-Isopropylidene-shikimic acid has anti-inflammatory effect and antioxidant activities[1][2].
5-(hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one
METRIBUZIN
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
4-Nitrodiphenylamine
CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4895; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4880; ORIGINAL_PRECURSOR_SCAN_NO 4876 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4916; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4917; ORIGINAL_PRECURSOR_SCAN_NO 4916 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5005; ORIGINAL_PRECURSOR_SCAN_NO 5000 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4918; ORIGINAL_PRECURSOR_SCAN_NO 4915
3,4-dihydro-2,2-dimethyl-indeno[1,2-b]-pyran-5(2H)-one
(E)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
trans-N,N-Dimethyl-1,2-diaminocyclohexanedihydrochloride
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine oxalate
Propanedinitrile,2-[(3,4-dimethoxyphenyl)methylene]-
N1,N1-Dimethylcyclohexane-1,4-diamine dihydrochloride
5-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester
2-(7-FLUORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid
3-(ETHOXYCARBONYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
N1,N2-DIMETHYLCYCLOHEXANE-1,2-DIAMINE DIHYDROCHLORIDE
2H-Isoindole-2-butanenitrile,1,3-dihydro-1,3-dioxo-
6-FLUORO-3-(PYRIDIN-4-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE
N,N-Dimethyl-1-(4-piperidinyl)methanamine dihydrochloride
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
CHLORODIMETHYL(2,3,4,5-TETRAMETHYL-2,4-CYCLOPENTADIEN-1-YL)SILANE
methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
N-(2-chloro-6-((trimethylsilyl)ethynyl)pyridin-3-yl)pivalamide
2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxane-4,6-dione
Phenaglycodol
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-((Trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine
N-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide
1H-Indole,7-fluoro-2,3-dihydro-2-(4-pyridinyl)-(9CI)
1-Isopropyl-(S )-2-methylpiperazine dihydrochloride
1-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
5-(2-MORPHOLIN-4-YL-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
TRANS-(1R,2R)-N,N-BISMETHYL-1,2-CYCLOHEXANEDIAMINEDIHYDROCHLORIDE
N-METHYL-2-METHYLAMINO-N-PHENYLACETAMIDEHYDROCHLORIDE
4-Fluoro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
Bamnidazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1-(2-Hydroxyethyl)-3-Methylimidazolium Tetrafluoroborate
5-TERT-BUTYL-1,3,4-THIADIAZOLE-2-CARBOXYLICACIDETHYLESTER
3-[dimethyl(trimethylsilylmethyl)silyl]prop-2-ynoate
3,6-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octane-6-acetate
1H-Indole,7-fluoro-2,3-dihydro-2-(2-pyridinyl)-(9CI)
N-[3-(AMINOMETHYL)PHENYL]-N-METHYLACETAMIDEHYDROCHLORIDE
Ethyl 2-(dimethylaminomethyl)-4-thiazolecarboxylate
(3aR,4S,5R,6aS)-4-[(Acetyloxy)methyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one
2-Amino-1-(4-(dimethylamino)phenyl)ethanone hydrochloride
2-amino-N-(2,6-dimethylphenyl)acetamide hydrochloride
9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-
5-Fluoro-1-[(oxolan-2-yl)methyl]pyrimidine-2,4(1H,3H)-dione
5-(Hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one
(1r,2s,3r,4s)-2,3-Dimethyl-7-Oxabicyclo[2.2.1]heptane-2,3-Dicarboxylic Acid
(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2H-pyrimidin-1-yl)oxolane-3,4-diol
3-[(1E)-buta-1,3-dienyl]-5-hydroxyisochromen-1-one
Phenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12
N,N-dimethyl-N-p-tolylsulfamide
A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid.
(+)-(7S,8S)-guaiacylglycerol
The (-)-(7S,8S)-stereoisomer of guaiacylglycerol. It has been isolated from the stems of Sinocalamus affinis.
(-)-(7R,8S)-guaiacylglycerol
The (-)-(7R,8S)-stereoisomer of guaiacylglycerol. It has been isolated from the stems of Sinocalamus affinis.
3-[5-(hydroxymethyl)-5-methyl-2-oxofuran-3-yl]-2-methylpropanoic acid
methyl 4-(acetyloxy)-3-hydroxycyclohex-1-ene-1-carboxylate
(3r,4e,6e)-tetradeca-4,6-dien-8,10,12-triyne-1,3-diol
3-[(2r,3r)-3-[(1e)-non-1-en-3,5,7-triyn-1-yl]oxiran-2-yl]propan-1-ol
7-(methylsulfanyl)trideca-1,3,5,7-tetraen-9,11-diyne
7-methoxy-3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene
(2e,4e,10e)-dodeca-2,4,10-trien-6,8-diyn-1-yl acetate
(2e)-3-{4-hydroxy-3-[(1e)-3-methylbuta-1,3-dien-1-yl]phenyl}prop-2-enal
(3r,4e,6z)-tetradeca-4,6-dien-8,10,12-triyne-1,3-diol
6-hydroxy-7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-4-carboxylic acid
(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-hy-droxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003122","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-hy-droxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C10H14O5","Ingredient_Smile": "C1C=C(C2C1C(C(=O)OC2O)CO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6034","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-3-(1',2',3',4'-tetrahydroxybutyl)pyrazine
{"Ingredient_id": "HBIN005959","Ingredient_name": "2-methyl-3-(1',2',3',4'-tetrahydroxybutyl)pyrazine","Alias": "NA","Ingredient_formula": "C9H14N2O4","Ingredient_Smile": "CC1=CN=C(C=N1)C(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31681","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-(1',2',3',4'-tetrahydroxybutyl)pyrazine
{"Ingredient_id": "HBIN005979","Ingredient_name": "2-methyl-5-(1',2',3',4'-tetrahydroxybutyl)pyrazine","Alias": "NA","Ingredient_formula": "C9H14N2O4","Ingredient_Smile": "CC1=CN=C(C=N1)C(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14744","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,4-dimethyl-7α,8β-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one
{"Ingredient_id": "HBIN009947","Ingredient_name": "4,4-dimethyl-7\u03b1,8\u03b2-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one","Alias": "NA","Ingredient_formula": "C10H14O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6338","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
