Exact Mass: 140.075
Exact Mass Matches: 140.075
Found 251 metabolites which its exact mass value is equals to given mass value 140.075,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
2-Propyl-2,4-pentadienoic acid
2-Propyl-2,4-pentadienoic acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)
4-Vinylcyclohexene dioxide
D009676 - Noxae > D002273 - Carcinogens
Ethyl sorbate
Ethyl sorbate is a flavouring ingredient. Flavouring ingredient
2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one is found in coffee and coffee products. Aroma constituent of roasted Arabica coffee beans as mixed cis- and trans- isomers. 2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one is a flavouring agent. Aroma constituent of roasted Arabica coffee beans as mixed cis- and trans- isomers. Flavouring agent. 2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one is found in coffee and coffee products.
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one is found in coffee and coffee products. 4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one is a volatile constituent of roasted Arabica coffee beans and heated invert sugar solutions with sweet malty odour. Volatile constituent of roasted Arabica coffee beans and heated invert sugar solutions with sweet malty odour. 4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one is found in coffee and coffee products.
3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one
3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one is a flavouring agent Flavouring agent
2,4-Hexadienyl acetate
2,4-Hexadienyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-Ethyl-5-methyl-1,2-cyclopentanedione
3-Ethyl-5-methyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Ethyl-5-methyl-1,2-cyclopentanedione is present in roast Arabica coffeee bean volatiles. 3-Ethyl-5-methyl-1,2-cyclopentanedione is a flavouring agent. Present in roast Arabica coffeee bean volatiles. Flavouring agent. 3-Ethyl-5-methyl-1,2-cyclopentanedione is found in coffee and coffee products.
Ethyl 2-methyl-3,4-pentadienoate
Ethyl 2-methyl-3,4-pentadienoate is a flavouring ingredient. Flavouring ingredient
Allyl tiglate
Allyl tiglate is a flavouring ingredient. Flavouring ingredient
3-Propyl-1,2-cyclopentanedione
Aroma constituent of Arabica coffee. 3-Propyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Propyl-1,2-cyclopentanedione is found in coffee and coffee products. Aroma constituent of Arabica coffee.
3,5,5-Trimethyl-1,2-cyclopentanedione
Aroma constituent of roasted Arabica coffee beans. 3,5,5-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,5,5-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. Aroma constituent of roasted Arabica coffee beans.
3-Isopropyl-1,2-cyclopentanedione
3-Isopropyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Isopropyl-1,2-cyclopentanedione is a volatile constituent of roasted Arabica coffee beans. Volatile constituent of roasted Arabica coffee beans. 3-Isopropyl-1,2-cyclopentanedione is found in coffee and coffee products.
3,4-Diethylthiophene
3,4-Diethylthiophene is found in animal foods. 3,4-Diethylthiophene is a flavour component of various cooked meats. Flavour component of various cooked meats. 3,4-Diethylthiophene is found in animal foods.
3,4,4-Trimethyl-1,2-cyclopentanedione
Aroma constituent of roasted Arabica coffee beans with sweet, burnt odour. 3,4,4-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,4,4-Trimethyl-1,2-cyclopentanedione is found in coffee and coffee products. Aroma constituent of roasted Arabica coffee beans with sweet, burnt odour.
1-(4-Hydroxy-cyclohex-1-enyl)-aethanon|1-(4-hydroxy-cyclohex-1-enyl)-ethanone|1-acetylcyclohex-1-ene-4-ol
(5S,6R)-3,5,6-trimethyl-5,6-dihydropyran-2-one|(5S,6R)-5,6-dihydro-3,5,6-trimethylpyran-2-one
4-Methoxy-6-methyl-1,3,5-triazin-2-amine
CONFIDENCE standard compound; INTERNAL_ID 2004
2-Methyl-4-amino-6-methoxy-s-triazine
A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2618; ORIGINAL_PRECURSOR_SCAN_NO 2617 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2633; ORIGINAL_PRECURSOR_SCAN_NO 2632 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2653; ORIGINAL_PRECURSOR_SCAN_NO 2651 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2626; ORIGINAL_PRECURSOR_SCAN_NO 2625 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2630; ORIGINAL_PRECURSOR_SCAN_NO 2629 CONFIDENCE standard compound; INTERNAL_ID 2004 CONFIDENCE standard compound; EAWAG_UCHEM_ID 125
2-octynoic acid
Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.
Ethyl Sorbate
A fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol.
1H-Imidazole-4-carboxylicacid,2-methylhydrazide(9CI)
1H-Imidazole-2-carboxylicacid,1-methyl-,hydrazide(9CI)
Methyl 2-ethenyl-1-Methylcyclopropane-1-carboxylate
1H-Pyrazole-3-carboxylicacid,4-methyl-,hydrazide(9CI)
1H-Imidazole-4-carboximidamide,2,3-dihydro-1-methyl-2-oxo-(9CI)
2(1H)-Pyrimidinone, 4-amino-6-(methylamino)- (7CI)
1H-Imidazole-4-carboxylicacid,5-methyl-,hydrazide(9CI)
1-(2-FURAN-2-YL-6-NITRO-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
1H-Pyrazole-5-carboxylicacid,1-methyl-,hydrazide(9CI)
1H-Pyrazole-1-carboximidamide,5-hydroxy-3-methyl-(9CI)
1H-Pyrazole-3-carboxylicacid,1-methyl-,hydrazide(9CI)
Ethanone, 2-amino-1-(5-amino-1H-imidazol-4-yl)- (9CI)
2,4-Hexadienyl acetate
An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of hexa-2,4-dien-1-ol.
(E,E)-2,4-hexadienyl acetate
A 2,4-hexadienyl acetate that has two trans double bonds at positions 2 and 4.
3-Acetonylcyclopentanone
{"Ingredient_id": "HBIN007856","Ingredient_name": "3-Acetonylcyclopentanone","Alias": "NA","Ingredient_formula": "C8H12O2","Ingredient_Smile": "CC(=O)CC1CCC(=O)C1","Ingredient_weight": "140.18 g/mol","OB_score": "77.86100408","CAS_id": "NA","SymMap_id": "SMIT12530","TCMID_id": "NA","TCMSP_id": "MOL011659","TCM_ID_id": "NA","PubChem_id": "538191","DrugBank_id": "NA"}
