Exact Mass: 170.0817
Exact Mass Matches: 170.0817
Found 500 metabolites which its exact mass value is equals to given mass value 170.0817,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Biphenylol
2-Biphenylol is found in lemon. It is an antifungal agent and preservative. 2-Biphenylol is used for post-harvest control of storage disease in apples, citrus fruit, stone fruit, tomatoes, cucumber and peppers through the use of impregnated wrapping materials or by direct application in a wax. 2-Biphenylol is used in food seasonings. Inhibitory to a wider range of moulds than Biphenyl
4-Biphenylol
CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887
Methyl beta-naphthyl ketone
Methyl beta-naphthyl ketone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") 2-Acetonaphthone is an endogenous metabolite.
Diphenyl ether
Diphenyl ether is found in alcoholic beverages. Diphenyl ether is present in muscat grapes, green tea, vanilla, lemon balm, buckwheat, potato chips and grilled beef. Diphenyl ether is a flavouring ingredient Diphenyl ether is a starting material in the production of phenoxathiin via the Ferrario reaction. Phenoxathiin is used in polyamide and polyimide production. Involving similar reactions, diphenyl ether is a significant side product in the high-pressure hydrolysis of chlorobenzene in the production of phenol. Several polybrominated diphenyl ethers (PBDEs) are useful flame retardants. Of penta-, octa-, and decaBDE, the three most common PBDEs, only deca-BDE is still in widespread use since its ban in the European Union in 2003. Deca-BDE, also known as decabromodiphenyl oxide, is a high-volume industrial chemical with over 450,000 kilograms produced annually in the United States. Decabromodiphenyl oxide is sold under the trade name Saytex 102 as a flame retardant in the manufacture of paints and reinforced plastics Present in muscat grapes, green tea, vanilla, lemon balm, buckwheat, potato chips and grilled beef. Flavouring ingredient
2-Amino-5-phenylpyridine
2-Amino-5-phenylpyridine is a mutagen found in cooked foo 2-Amino-5-phenylpyridine is a mutagenic heterocyclic aromatic amine that is formed by pyrolysis of phenylalanine in proteins. 2-Amino-5-phenylpyridine is in broiled sardines and is considered as potentially carcinogenic[1][2].
1,4-Ipomeadiol
1,4-Ipomeadiol is found in root vegetables. 1,4-Ipomeadiol is produced on Fusarium solani-infected sweet potatoes (Ipomoea batatus
cis-3-Hexenyl pyruvate
Cis-3-hexenyl pyruvate belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Cis-3-hexenyl pyruvate is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-3-hexenyl pyruvate has a banana peel, cucumber skin, and green taste. cis-3-Hexenyl pyruvate is a flavouring ingredient.
Linsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
Isoboonein
Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)- is a natural product found in Caiophora coronata, Cymbaria mongolica, and other organisms with data available.
[4-(hydroxymethyl)-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-5-yl]methanol
7-Hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene
1-(4-methoxyphenyl)-2,4-pentadiyne|1-(p-Methoxyphenyl)-pentadiin-(2,4)|1-<4-Methoxy-phenyl>-pentadiin-(2,4)
(2E,4E)-2,6-dimethyl-6-hydroxy-hepta-2,4-dien-1-oic acid|litseacubebic acid
1-(2-Hydroxyphenyl)-2,4-hexadiyne|2-(Hexadiin-(2,4)-yl)-phenol|2--phenol
2,4,6-Triazabicyclo[3.2.1]oct-2-ene-7-carboxylicacid,3-amino-,(1R,5S,7S)-(9CI)
3-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid
(Z)-2-(3-Indolyl)vinyl Isocyanide|Indolacrylisonitril
4-Hydroxy-4-(1-hydroxy-1-methylethyl)cyclohexa-2-ene-1-one
1-(3,4-dihydroxy-4-methylcyclohex-1-enyl)ethanone|reticuone
2-Acetonaphthone
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877 CONFIDENCE standard compound; INTERNAL_ID 2446 2-Acetonaphthone is an endogenous metabolite.
2-METHYL-6-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid monomethyl ester
Carbamic acid, (5-methyl-3-isoxazolyl)-, ethyl ester
2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)-(9CI)
1H-1,2,4-Triazole-3-carboxylicacid,5-amino-,propylester(9CI)
3-(2-HYDROXY-ETHYL)-6-METHYL-1H-PYRIMIDINE-2,4-DIONE
ETHYL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
1H-Imidazole-4-carboxylicacid,2-methoxy-5-methyl-,methylester(9CI)
(2R,3S)-1-CARBOXY-2,3-DIHYDROXY-4-METHYLCYCLOHEXA-4,6-DIENE
dihydro-4,4-dimethyl-5-(1-methylethyl)-2,3-furandione
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, ethyl ester
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
Urea,N-hydroxy-N-[2-(1H-imidazol-4-yl)ethyl]- (9CI)
5-[ethoxy(hydroxy)methylidene]-2-methyl-1H-imidazol-4-one
Cyclopropaneacetic acid, 2-formyl-1-(1-methylethyl)- (9CI)
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
N-(6-METHYL-3-OXO-2,3-DIHYDRO-1,2,4-TRIAZIN-4(5H)-YL)ACETAMIDE
ETHYL 2-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
5-HYDROXYMETHYL-FURAN-2-CARBOXYLIC ACID ETHYL ESTER
(3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone
1-ethyl-5-methyl-4-nitro-1H-pyrazol-3-amine(SALTDATA: FREE)
5-HYDROXYMETHYL-2-METHYL-FURAN-3-CARBOXYLIC ACID METHYL ESTER
5-Amino-3-methyl-isoxazole-4-carboxylic acid ethyl ester
3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID
2-(4-ETHOXY-PHENYL)-1-METHYL-ETHYLAMINE HYDROCHLORIDE
1H-Imidazole-4-carboxylicacid,2-(methoxymethyl)-,methylester(9CI)
3,4-BIS(1-METHYLHYDRAZINO)CYCLOBUT-3-ENE-1,2-DIONE
2,2,2-trifluoro-1-N,1-N,1-N,1-N-tetramethylethane-1,1-diamine
5,6,7,8-Tetrahydro-1,6-naphthyridine hydrochloride
1,2,3,4-Tetrahydro-2,7-naphthyridine hydrochloride
methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate
4-Oxazolecarboxylicacid,2-(aminomethyl)-5-methyl-,methylester(9CI)
methyl 4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
3-CYCLOPROPYL-2-METHYL-3-OXO-PROPIONIC ACID ETHYL ESTER
3-ETHOXY-4-(1-METHYLHYDRAZINO)CYCLOBUT-3-ENE-1,2-DIONE
1H-Imidazole-4-carboxylicacid,1-(2-hydroxyethyl)-,methylester(9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-hydroxy-, (S)-(9CI)
1H-Imidazole-4-carboxylicacid,5-hydrazino-,ethylester(9CI)
Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, methyl ester
6,7-Dihydro-5H-cyclopenta[b]pyridin-7-aMine hydrochloride
4-(2H-tetrazol-5-yl)tetraaz-3-ene-2-carboximidamide
[5-(1-Aminoethyl)-4H-[1,2,4]triazol-3-yl]acetic acid hydrochloride
1-Oxaspiro[2.4]heptane-2-carboxylicacid, ethyl ester
Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
2-(2-Ethoxy-1-methoxyethyl)furan
A member of the class of furans that is furan substituted by a 2-ethoxy-1-methoxyethyl group at position 2.
7-Methyl-3-oxooct-6-enoic acid
A monounsaturated oxo fatty acid comprising 3-oxooct-6-enoic acid having a methyl substituent at the 7-position.
5,6,7,8-Tetrahydro-imidazo[1,2-A]pyridine-6,7,8-triol
Linsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
5-Hydroxy-4-methoxy-5-(1-methylethenyl)-2-furanone
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethanaminium
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-2-amino-N-hydroxy-3-(2H-imidazol-4-yl)propanamide
1-carbamimidoyl-1-[(E)-1-oxopropan-2-ylideneamino]guanidine
(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
3-Hydroxy-4-methylenecyclohexanecarboxylic acid methyl ester
2-Phenylphenol
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid
Diphenyl oxide
An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.
(R)-noradrenaline(1+)
An organic cation that is the conjugate acid of (R)-noradrenaline, obtained by protonation of the priamry amino group; major species at pH 7.3.
Ethylene diacrylate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
2-Amino-5-phenylpyridine
2-Amino-5-phenylpyridine is a mutagenic heterocyclic aromatic amine that is formed by pyrolysis of phenylalanine in proteins. 2-Amino-5-phenylpyridine is in broiled sardines and is considered as potentially carcinogenic[1][2].
1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid
N-Methyl-4-phenylpyridinium
A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
(3e,5z,7s)-7-hydroxy-5-(hydroxymethyl)octa-3,5-dien-2-one
(4ar,6s,7r,7ar)-6-hydroxy-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one
(4ar,6s,7r,7as)-6-hydroxy-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]propan-1-one
1-(3-hydroxyphenyl)-2,4-hexadiyne
{"Ingredient_id": "HBIN001251","Ingredient_name": "1-(3-hydroxyphenyl)-2,4-hexadiyne","Alias": "NA","Ingredient_formula": "C12H10O","Ingredient_Smile": "CC#CC#CCC1=CC(=CC=C1)O","Ingredient_weight": "170.21","OB_score": "NA","CAS_id": "75911-07-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9684","PubChem_id": "101410744","DrugBank_id": "NA"}
1-phenyl-2,4-hexadiyne-1-ol
{"Ingredient_id": "HBIN002978","Ingredient_name": "1-phenyl-2,4-hexadiyne-1-ol","Alias": "NA","Ingredient_formula": "C12H10O","Ingredient_Smile": "CC#CC#CC(C1=CC=CC=C1)O","Ingredient_weight": "170.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT17184","TCMID_id": "17109","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320528","DrugBank_id": "NA"}
4-ethoxy-6-hydroxymethyl-α-pyrone
{"Ingredient_id": "HBIN010376","Ingredient_name": "4-ethoxy-6-hydroxymethyl-\u03b1-pyrone","Alias": "NA","Ingredient_formula": "C8H10O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methyl-2,5-dihydroxymethyl-gamma-pyranone(iii)
{"Ingredient_id": "HBIN012543","Ingredient_name": "6-methyl-2,5-dihydroxymethyl-gamma-pyranone(iii)","Alias": "NA","Ingredient_formula": "C8H10O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31594","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene
{"Ingredient_id": "HBIN013264","Ingredient_name": "7-hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene","Alias": "NA","Ingredient_formula": "C9H14O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15855","TCMID_id": "10208","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
