Exact Mass: 214.1066
Exact Mass Matches: 214.1066
Found 500 metabolites which its exact mass value is equals to given mass value 214.1066,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harmaline
Harmaline is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as a oneirogen. It derives from a hydride of a harman. Harmaline is a natural product found in Passiflora pilosicorona, Passiflora boenderi, and other organisms with data available. A beta-carboline alkaloid isolated from seeds of PEGANUM. A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. Harmaline is found in fruits. Harmaline is an alkaloid from Passiflora incarnata (maypops D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H027; [MS2] KO008994 KEIO_ID H027
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
Methyl 2-diazoacetamidohexonate
A diazonium ion that is diazotized methyl glycyl-L-norleucinate.
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].
(2S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
(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)
Velnacrine
Velnacrine belongs to the family of Acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
alpha-Carboxy-delta-decalactone
alpha-Carboxy-delta-decalactone is found in milk and milk products. alpha-Carboxy-delta-decalactone is a possible latent butter aroma compoun
2-Carboxy-5,7-dimethyl-4-octanolide
2-Carboxy-5,7-dimethyl-4-octanolide is found in milk and milk products. 2-Carboxy-5,7-dimethyl-4-octanolide is a possible latent butter aroma compoun
Ethyl 1-naphthylacetic acid
Ethyl 1-naphthylacetic acid is a plant growth regulator used to promote root growth
Fenyramidol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-(2-Ethyl-3H-1-benzofuran-2-yl)-1H-imidazole
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.
1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
Harmaline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.572 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.569 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.563 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.565 D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
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.
1-methyl-3-propan-2-ylcyclopentane-1,2-dicarboxylic acid
(+-)-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
(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2(5H)-one
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
(2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethylcyclohexanone
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
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
7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
Piliformic-acid
[Raw Data] CBA57_Piliformic-a_pos_40eV.txt [Raw Data] CBA57_Piliformic-a_pos_30eV.txt [Raw Data] CBA57_Piliformic-a_pos_20eV.txt [Raw Data] CBA57_Piliformic-a_pos_10eV.txt
METRIBUZIN
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847722]
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one_major
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
N1,N1-Dimethylcyclohexane-1,4-diamine dihydrochloride
5-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester
5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
(1,4-Dioxa-spiro[4.5]dec-8-YL)-acetic acid Methyl ester
N1,N2-DIMETHYLCYCLOHEXANE-1,2-DIAMINE DIHYDROCHLORIDE
N,N-Dimethyl-1-(4-piperidinyl)methanamine dihydrochloride
2-P-Tolyl-4,5,6,7-Tetrahydro-Oxazolo[5,4-C]Pyridine
CHLORODIMETHYL(2,3,4,5-TETRAMETHYL-2,4-CYCLOPENTADIEN-1-YL)SILANE
methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
ethyl (E)(S)-3-(2,2-dimethyl[1,3]dioxolane-4-yl)-2-methylacrylate
3,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carbaldehyde
N-(2-chloro-6-((trimethylsilyl)ethynyl)pyridin-3-yl)pivalamide
2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxane-4,6-dione
1-(3,5-DIMETHYL-1-PHENYL-1H-4-PYRAZOLYL)-1-ETHANONE
3-Pyridinecarboxamide,1,4-dihydro-1-(phenylmethyl)-
4-((Trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine
(4-OXO-5,6,7,8-TETRAHYDRO-4H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)-ACETICACIDMETHYLESTER
2-ACETYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
4-(N,N-Diethyl)-2-methyl-p-phenylenediamine monohydrochloride
N1-(4,6-DIMETHYLPYRIMIDIN-2-YL)BENZENE-1,4-DIAMINE
1H-Indole,7-fluoro-2,3-dihydro-2-(4-pyridinyl)-(9CI)
1-Isopropyl-(S )-2-methylpiperazine dihydrochloride
ethyl (Z)(R)-4,5-O-isopropylidene-4,5-dihydroxy-2-methylpent-2-enoate
5-(2-MORPHOLIN-4-YL-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
ETHYL1-TERT-BUTYL-5-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE
2,3-Dihydro-7-methoxy-1H-cyclopenta[b]quinolin-9-amine
TRANS-(1R,2R)-N,N-BISMETHYL-1,2-CYCLOHEXANEDIAMINEDIHYDROCHLORIDE
N-METHYL-2-METHYLAMINO-N-PHENYLACETAMIDEHYDROCHLORIDE
2,5-DIMETHYL-1-PYRIDIN-3-YLMETHYL-1H-PYRROLE-3-CARBALDEHYDE
1-(2-Hydroxyethyl)-3-Methylimidazolium Tetrafluoroborate
3-(METHOXYCARBONYL)-1,2,2-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
3-[dimethyl(trimethylsilylmethyl)silyl]prop-2-ynoate
3-(METHOXYCARBONYL)-2,2,3-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine
3-(Dimethylamino)-2-(4-methylbenzoyl)acrylonitrile
2-(2-tert-Butyl-6-methylpyran-4-ylidene)malononitrile
(3aR,5R,6S,6aR)-5-allyl-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole
(1Z)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime
3,6-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octane-6-acetate
1H-Indole,7-fluoro-2,3-dihydro-2-(2-pyridinyl)-(9CI)
2-(2-FURYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE
N-[3-(AMINOMETHYL)PHENYL]-N-METHYLACETAMIDEHYDROCHLORIDE
2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrole-3-carbaldehyde
2-Amino-1-(4-(dimethylamino)phenyl)ethanone hydrochloride
2-amino-N-(2,6-dimethylphenyl)acetamide hydrochloride
2-[1-(Carboxymethyl)-3-methylcyclohexyl]acetic acid
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
6-(1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one
Fenyramidol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
9-Ethyl-1,2,4,5-tetrazaspiro[5.5]undecane-3-thione
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2H-pyrimidin-1-yl)oxolane-3,4-diol
3-[(2-Aminoethyl)thio]-6-ethyl-1-azabicyclo[3.2.0]heptan-7-one
Methyl 3,5-dihydro-3-ethenyl-5-methyl-6-heptenoate
Velnacrine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
(3s,4ar,7s,7as)-3-ethoxy-7-hydroxy-7-methyl-hexahydrocyclopenta[c]pyran-1-one
(3ar,6r,7as)-3a,6-dihydroxy-4,4,7a-trimethyl-tetrahydro-1-benzofuran-2-one
(6s)-6-[(1s)-1-hydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one
4-[5-(1-hydroxypropyl)oxolan-3-yl]but-2-enoic acid
(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-methoxy-3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene
3-(4-methoxyphenyl)-4h,5h,6h-pyrrolo[1,2-b]pyrazole
(2e,4e,10e)-dodeca-2,4,10-trien-6,8-diyn-1-yl acetate
(1r,4s,6r)-4-methoxy-4-pentyl-3,7-dioxabicyclo[4.1.0]heptan-2-one
3-ethoxy-7-hydroxy-7-methyl-hexahydrocyclopenta[c]pyran-1-one
(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
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"}
