Exact Mass: 140.1313
Exact Mass Matches: 140.1313
Found 500 metabolites which its exact mass value is equals to given mass value 140.1313,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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
Metenamine
Metenamine belongs to the family of Aminals. These are organic compounds containing the aminal functional group J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents
Ethyl sorbate
Ethyl sorbate is a flavouring ingredient. Flavouring ingredient
2-Nonenal
(E)-2-Nonenal is found in alcoholic beverages. (E)-2-Nonenal is widespread in nature, in beer, coffee, watermelon, cucumbers, redcurrants, orris oil, palm oil, potatoes etc. (E)-2-Nonenal is a flavouring ingredien. It has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821). 2-Nonenal is an unsaturated aldehyde which some research has associated with human body odor alterations during aging. The substance is also an important aroma component of aged beer and buckwheat. The odor of this substance is perceived as orris, fat and cucumber. 2-Nonenal is found in lemon.
(±)-2,2,6-Trimethylcyclohexanone
Xi-2,2,6-trimethylcyclohexanone is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. Xi-2,2,6-trimethylcyclohexanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xi-2,2,6-trimethylcyclohexanone can be found in beverages, fruits, and tea, which makes xi-2,2,6-trimethylcyclohexanone a potential biomarker for the consumption of these food products. xi-2,2,6-Trimethylcyclohexanone is found in beverages. xi-2,2,6-Trimethylcyclohexanone is present in bilberries, passion fruit, carob and tea.
(3Z,6Z)-3,6-Nonadien-1-ol
(3Z,6Z)-3,6-Nonadien-1-ol is found in fruits. (3Z,6Z)-3,6-Nonadien-1-ol is found in melon and cucumber. (3Z,6Z)-3,6-Nonadien-1-ol is a food flavou Found in melon and cucumber. Food flavour
(E)-2-Nonen-4-one
Detected in bell pepper and potato volatiles. (E)-2-Nonen-4-one is found in alcoholic beverages, herbs and spices, and potato. (E)-2-Nonen-4-one is found in alcoholic beverages. (E)-2-Nonen-4-one is detected in bell pepper and potato volatile
5-Nonen-2-one
(E)-5-Nonen-2-one is detected in many food volatile Detected in many food volatiles
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.
2,6-Nonadien-1-ol
(2Z,6Z)-2,6-Nonadien-1-ol is found in herbs and spices. (2Z,6Z)-2,6-Nonadien-1-ol is isolated from violet leaves and peppermint oi Isolated from violet leaves and peppermint oil. (2Z,6Z)-2,6-Nonadien-1-ol is found in herbs and spices.
Santene hydrate
Santene hydrate is found in cereals and cereal products. Santene hydrate is a constituent of the famine food Santalum album (sandalwood). Santene hydrate is a flavouring ingredient. Constituent of the famine food Santalum album (sandalwood). Flavouring ingredient. Santene hydrate is found in cereals and cereal products.
8-Nonen-2-one
8-Nonen-2-one is found in milk and milk products. 8-Nonen-2-one is detected in mold-ripened cheese Detected in mold-ripened cheeses. 8-Nonen-2-one is found in milk and milk 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-Nonen-2-one
(E)-3-Nonen-2-one is detected in many food volatiles. (E)-3-Nonen-2-one is a flavouring ingredient. (E)-3-Nonen-2-one is a food flavourant for confectionery etc., (geometric isomer not specifiied but presumably E-form It is used as a food additive
(Z)-6-Nonenal
Flavour component of melon (Cucumis melo)and is also present in cucumber (Cucumis sativus), raw lean fish and pepino fruit (Solanum muricaturm). Flavouring agent. (Z)-6-Nonenal is found in many foods, some of which are cucumber, fruits, muskmelon, and fishes. (Z)-6-Nonenal is found in fishes. (Z)-6-Nonenal is a flavour component of melon (Cucumis melo). Also present in cucumber (Cucumis sativus), raw lean fish and pepino fruit (Solanum muricaturm). (Z)-6-Nonenal is a flavouring agent
(±)-2,6-Dimethyl-5-heptenal
(±)-2,6-Dimethyl-5-heptenal is a perfumery and flavouring ingredien Perfumery and flavouring ingredient
m-Menthane
m-Menthane belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
1-Nonen-4-one
Detected in volatile constituents of Capsicum annuum grossum. 1-Nonen-4-one is found in many foods, some of which are green bell pepper, italian sweet red pepper, yellow bell pepper, and herbs and spices. 1-Nonen-4-one is found in herbs and spices. 1-Nonen-4-one is detected in volatile constituents of Capsicum annuum grossu
Butylcyclohexane
Butylcyclohexane is found in fruits. Butylcyclohexane is a constituent of the fruit of Carica papaya (papaya). Constituent of the fruit of Carica papaya (papaya). Butylcyclohexane is found in fruits.
8-Nonen-3-one
8-Nonen-3-one is found in milk and milk products. 8-Nonen-3-one is detected in mold-ripened cheese Detected in mold-ripened cheeses. 8-Nonen-3-one is found in milk and milk 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
p-Menthane
p-Menthane is found in peppermint. p-Menthane is a flavouring compound [Goodscents A flavouring compound [Goodscents]. p-Menthane is found in peppermint.
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/]")
trans-4-Nonenal
trans-4-Nonenal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-Methyl-2-octenal
2-Methyl-2-octenal is a flavouring ingredient. Flavouring ingredient
(2E,4E)-2,4-Nonadien-1-ol
(2E,4E)-2,4-Nonadien-1-ol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (2E,4E)-2,4-Nonadien-1-ol is considered to be a fatty alcohol lipid molecule. (2E,4E)-2,4-Nonadien-1-ol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. It is a food flavourant (presumably as mixture of geometric isomers) for a variety of food. Food flavourant (presumably as mixture of geom. isomers) for a variety of foods
1-Isopropyl-2,3-dimethylcyclopentane
Claimed to have been isolated from flowers of Osmanthus fragrans (sweet osmanthus) but this was prob. erroneous. 1-Isopropyl-2,3-dimethylcyclopentane is found in herbs and spices. 1-Isopropyl-2,3-dimethylcyclopentane is found in herbs and spices. Claimed to have been isolated from flowers of Osmanthus fragrans (sweet osmanthus) but this was erroneous
2-Ethyl-2-heptenal
2-Ethyl-2-heptenal is found in fruits. 2-Ethyl-2-heptenal is a flavouring ingredient. 2-Ethyl-2-heptenal is present in walnut peel and ambarella fruits Spondias cytherea. 2-Ethyl-2-heptenal is a flavouring ingredient. It is found in walnut peel and ambarella fruits (Spondias cytherea).
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.
3-Methylene-2-octanone
3-Methylene-2-octanone is a flavouring ingredient. Flavouring ingredient
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
(3E,6Z)-3,6-Nonadien-1-ol
(3E,6Z)-3,6-Nonadien-1-ol is found in prickly pear. (3E,6Z)-3,6-Nonadien-1-ol is a food flavour. Found in prickly pear. Food flavour
(2xi,4xi)-2,4-Nonadien-1-ol
(2xi,4xi)-2,4-Nonadien-1-ol is found in fruits. (2xi,4xi)-2,4-Nonadien-1-ol is isolated from cucumber. Isolated from cucumber. (2xi,4xi)-2,4-Nonadien-1-ol is found in fruits.
7-Methyl-3-octen-2-one
7-Methyl-3-octen-2-one is found in milk and milk products. 7-Methyl-3-octen-2-one is found in skimmed milk powder. 7-Methyl-3-octen-2-one is a flavouring agent for a variety of foods, especially for fried food taste. Found in skimmed milk powder. Flavouring agent for a variety of foods, especies for fried food taste
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.
3,4,4-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.
3-Nonen-5-one
3-Nonen-5-one belongs to the family of Enones. These are compounds containing the enone functional group, with the structure RC(=O)CR
cis-3-Decene
cis-3-Decene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(3E)-2,3,4-trimethylhex-3-enal
(3E)-2,3,4-trimethylhex-3-enal is classified as a member of the Medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. (3E)-2,3,4-trimethylhex-3-enal is considered to be slightly soluble (in water) and basic
2-Octene, 3,7-dimethyl-, (Z)-
2-octene, 3,7-dimethyl-, (z)- is classified as a member of the branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. 2-octene, 3,7-dimethyl-, (z)- can be found in feces.
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
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.
5-Nonen-2-one
A methyl ketone that is nonan-2-one carrying a double bond at position 5.
Ethyl Sorbate
A fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol.
2-methyl-2-(1H-pyrazol-1-yl)-1-propanol(SALTDATA: FREE)
(1,4,5-trimethyl-1H-imidazol-2-yl)methanol(SALTDATA: FREE)
tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
Methyl 2-ethenyl-1-Methylcyclopropane-1-carboxylate
Spiro[2.3]hexane-4-carboxylic acid, hydrazide (9CI)
Spiro[2.3]hexane-5-carboxylic acid, hydrazide (9CI)
Pyrrolo[1,2-a]pyrimidine, octahydro-4-methyl- (9CI)
1-(2-FURAN-2-YL-6-NITRO-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
N-[(2,5-DIMETHYL-1,3-OXAZOL-4-YL)METHYL]-N-METHYLAMINE
Violet alcohol
Found in Cucumis sativus (cucumbers), watermelons and prickly pears. Flavouring agent
(2,4-Dichloro-pyrimidin-5-ylmethyl)-isopropyl-amine
1H-1,2,4-Triazol-3-amine,5-(1,1-dimethylethyl)-(9CI)
4-(AMINOMETHYL)TETRAHYDRO-2H-PYRAN-4-CARBONITRILE HCL
2,6-nonadien-1-ol
A primary allylic alcohol that is (2E,6Z)-nona-2,6-diene in which a hydrogen at position 1 has been replaced by a hydroxy group. Flavouring ingredient
Furtrethonium
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Non-2-enal
Widespread in nature, in beer, coffee, watermelon, cucumbers, redcurrants, orris oil, palm oil, potatoes etc. Flavouring ingredient. (E)-2-Nonenal is found in many foods, some of which are coffee and coffee products, lovage, muskmelon, and fruits.
(E)-2-Nonen-4-one
Detected in bell pepper and potato volatiles. (E)-2-Nonen-4-one is found in alcoholic beverages, herbs and spices, and potato. (E)-2-Nonen-4-one is found in alcoholic beverages. (E)-2-Nonen-4-one is detected in bell pepper and potato volatile
(1-Methylbutyl)cyclopentane
A member of the class of cyclopentanes that is cyclopentane substituted by a 1-methylbutyl group.
(E)-Non-2-enal
A monounsaturated fatty aldehyde that is (2E)-non-2-ene which is carrying an oxo group at position 1.
(Z)-Non-6-enal
A monounsaturated fatty aldehyde that is (3Z)-non-3-ene which is carrying an oxo group at position 1.
(3E)-2,3,4-trimethylhex-3-enal
A hexenal that is (3E)-hex-3-enal substituted by methyl groups at positions 2, 3 and 6. Metabolite observed in cancer metabolism.
(3E)-2,6-dimethyloct-3-ene
An alkene that is (3E)-oct-3-ene substituted by methyl groups at positions 2 and 6. Metabolite observed in cancer metabolism.
(5Z)-5-nonen-2-one
A 5-nonen-2-one in which the double bond adopts a cis-configuration.
1-formylpyrrolizidine(1+)
A tertiary ammonium ion that is the conjugate acid of 1-formylpyrrolizidine resulting from the protonation of the amino group; Major species at pH 7.3.
(5E)-5-nonen-2-one
A 5-nonen-2-one in which the double bond adopts a trans-configuration.
(1r,3s,7s,8r)-2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-amine
(1r,3s,7s)-2-oxa-6-azatricyclo[4.2.1.0³,⁷]nonan-8-amine
(1s,3s)-(+)-m-menthan
{"Ingredient_id": "HBIN003256","Ingredient_name": "(1s,3s)-(+)-m-menthan","Alias": "NA","Ingredient_formula": "C10H20","Ingredient_Smile": "CC1CCCC(C1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31505","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,6-nonadien-1-ol; (3z,6e)-form
{"Ingredient_id": "HBIN007738","Ingredient_name": "3,6-nonadien-1-ol; (3z,6e)-form","Alias": "NA","Ingredient_formula": "C9H16O","Ingredient_Smile": "NA","Ingredient_weight": "140.22","OB_score": "NA","CAS_id": "53250-56-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8227","PubChem_id": "NA","DrugBank_id": "NA"}
3-ene-nonanone-2
{"Ingredient_id": "HBIN008461","Ingredient_name": "3-ene-nonanone-2","Alias": "NA","Ingredient_formula": "C9H16O","Ingredient_Smile": "CCCCCC=CC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15243","TCMID_id": "6799","TCMSP_id": "NA","TCM_ID_id": "24331","PubChem_id": "NA","DrugBank_id": "NA"}
4,4,6-Trimethyl-cyclohex-2-en-1-ol
{"Ingredient_id": "HBIN009917","Ingredient_name": "4,4,6-Trimethyl-cyclohex-2-en-1-ol","Alias": "NA","Ingredient_formula": "C9H16O","Ingredient_Smile": "CC1CC(C=CC1O)(C)C","Ingredient_weight": "140.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40829","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "558612","DrugBank_id": "NA"}
