Exact Mass: 139.0713
Exact Mass Matches: 139.0713
Found 500 metabolites which its exact mass value is equals to given mass value 139.0713,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
tropinone
Tropinone, also known as 3-tropanone, is a member of the class of compounds known as tropane alkaloids. Tropane alkaloids are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. Tropinone is soluble (in water) and an extremely weak acidic compound (based on its pKa). Tropinone can be found in a number of food items such as walnut, japanese persimmon, komatsuna, and chicory roots, which makes tropinone a potential biomarker for the consumption of these food products. Tropinone is an alkaloid, famously synthesised in 1917 by Robert Robinson as a synthetic precursor to atropine, a scarce commodity during World War I. Tropinone and the alkaloids cocaine and atropine all share the same tropane core structure. Its corresponding conjugate acid at pH 7.3 major species is known as tropiniumone . KEIO_ID T061 Tropinone, an alkaloid, acts as a synthetic intermediate to?Atropine[1].
4-Amino-5-hydroxymethyl-2-methylpyrimidine
Hydroxymethylpyrimidine, also known as pyramine or toxopyrimidine, is a member of the class of compounds known as hydropyrimidines. Hydropyrimidines are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.). Hydroxymethylpyrimidine is soluble (in water) and a very weakly acidic compound (based on its pKa). Hydroxymethylpyrimidine can be found in a number of food items such as mexican oregano, sugar apple, tronchuda cabbage, and cinnamon, which makes hydroxymethylpyrimidine a potential biomarker for the consumption of these food products. Hydroxymethylpyrimidine exists in E.coli (prokaryote) and yeast (eukaryote).
Histidinal
Histidinal (CAS: 23784-33-0), also known as histidinaldehyde, belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Histidinal is a very strong basic compound (based on its pKa). Histidinal is involved in the histidine biosynthesis pathway. Histidinal is produced by the reaction between histidinol and NAD+, with NADH as a byproduct. The reaction is catalyzed by histidinol dehydrogenase. Histidinal reacts with NAD+ and H2O to produce L-histidine and NADH. Histidinol dehydrogenase catalyzes this reaction. Histidinal is involved in the histidine biosynthesis I pathway.
Supinidine
Supinidine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Supinidine? can be found in borage, which makes supinidine? a potential biomarker for the consumption of this food product.
3-Amino-2,3-dihydrobenzoic acid
D004791 - Enzyme Inhibitors
Ethyl 2-pyrrolecarboxylate
Ethyl 2-pyrrolecarboxylate belongs to the family of Substituted Pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
5-Hydroxypyrazinamide
Pyrazinamide. Pyrazinamide is a drug used to treat tuberculosis in afflicted patients. The drug is largely bacteriostatic, but can be bacteriocidal on actively replicating tuberculosis bacteria. -- Wikipedia; Pyrazinamide is a generic drug and is available in a wide variety of presentations. Pyrazinamide tablets are usually 500mg and form the bulkiest part of the standard tuberculosis treatment regimen. Pyrazinamide tablets are so large that some patients find them impossible to swallow: pyrazinamide syrup is an option for these patients. -- Wikipedia; Pyrazinamide is also available as part of fixed dose combinations with other TB drugs such as isoniazid and rifampicin (Rifater is an example). -- Wikipedia; Pyrazinamide is well absorbed orally. It crosses inflamed meninges and is an essential part of the treatment of tuberculous meningitis. It is metabolised by the liver and the metabolic products are excreted by the kidneys. -- Wikipedia; Pyrazinamide is a pro-drug that stops the growth of Mycobacterium tuberculosis. M. tuberculosis has the enzyme pyrazinamidase which is only active at acidic pH. Pyrazinamidase converts pyrazinamide to the active form, pyrazinoic acid. Pyrazinoic acid inhibits the enzyme fatty acid synthetase I, which is required by the bacterium to synthesise fatty acids. Mutations of the pyrazinamidase gene (pncA) are responsible for pyrazinamide resistance in M. tuberculosis. -- Wikipedia. Pyrazinamide
3,4-Dihydroxybenzylamine
3,4-Dihydroxybenzylamine is an alternative substrates for dopamine that is a member of the catecholamine family in the brain, and is a precursor to epinephrine and norepinephrine. Catecholamines contain a catechol group, and are derived from the amino acid and tyrosine. They are produced mainly by the chromaffin cells of the adrenal medulla and the postganglionic fibers of the sympathetic nervous system. Catecholamine synthesis is inhibited by alpha-Methyltyrosine, by inhibiting tyrosine-3 monooxygenase.Wikipedia [HMDB] 3,4-Dihydroxybenzylamine is an alternative substrates for dopamine that is a member of the catecholamine family in the brain, and is a precursor to epinephrine and norepinephrine. Catecholamines contain a catechol group, and are derived from the amino acid and tyrosine. They are produced mainly by the chromaffin cells of the adrenal medulla and the postganglionic fibers of the sympathetic nervous system. Catecholamine synthesis is inhibited by alpha-Methyltyrosine, by inhibiting tyrosine-3 monooxygenase.Wikipedia.
9-Azabicyclo[3.3.1]nonan-3-one
9-Azabicyclo[3.3.1]nonan-3-one is found in fruits. 9-Azabicyclo[3.3.1]nonan-3-one is found in pomegranate (Punica granatum) bar Found in pomegranate (Punica granatum) bark
1,2,3,4-Tetrahydro-6-propanoylpyridine
1,2,3,4-Tetrahydro-6-propanoylpyridine is formed by thermal treatment of proline and glucose mixture Formed by thermal treatment of proline and glucose mixtures
2,4-Dimethyl-5-vinylthiazole
2,4-Dimethyl-5-vinylthiazole is found in animal foods. 2,4-Dimethyl-5-vinylthiazole is present in cooked beef volatiles. 2,4-Dimethyl-5-vinylthiazole is a flavouring ingredient. Present in cooked beef volatiles. Flavouring ingredient. 2,4-Dimethyl-5-vinylthiazole is found in animal foods.
2-Pentyloxazole
2-Pentyloxazole is found in nuts. 2-Pentyloxazole is a constituent of roasted peanut volatiles. Constituent of roasted peanut volatiles. 2-Pentyloxazole is found in nuts.
4-Butyl-2-methyloxazole
4-Butyl-2-methyloxazole is found in nuts. 4-Butyl-2-methyloxazole is a constituent of roasted peanut and French fried potato aroma. Constituent of roasted peanut and French fried potato aroma. 4-Butyl-2-methyloxazole is found in nuts and potato.
2,4-Dimethyl-5-propyloxazole
2,4-Dimethyl-5-propyloxazole is found in crustaceans. 2,4-Dimethyl-5-propyloxazole is a constituent of roasted peanuts, French fries and boiled shrimp (Panaeus brevistoris) aromas. Constituent of roasted peanuts, French fries and boiled shrimp (Panaeus brevistoris) aromas. 2,4-Dimethyl-5-propyloxazole is found in crustaceans, nuts, and potato.
4,5-Dimethyl-2-propyloxazole
4,5-Dimethyl-2-propyloxazole is found in animal foods. 4,5-Dimethyl-2-propyloxazole is a constituent of roast beef and coffee aroma. Constituent of roast beef and coffee aroma. 4,5-Dimethyl-2-propyloxazole is found in coffee and coffee products and animal foods.
4,5-Diethyl-2-methyloxazole
Not reported in nature. Not reported in nature
4,5-Dimethyl-2-(1-methylethyl)oxazole
Volatile constituent of roasted peanuts, French fries, cocoa butter, fried bacon, fried chicken and coffee. 4,5-Dimethyl-2-(1-methylethyl)oxazole is found in many foods, some of which are potato, coffee and coffee products, animal foods, and cocoa and cocoa products. 4,5-Dimethyl-2-(1-methylethyl)oxazole is found in animal foods. 4,5-Dimethyl-2-(1-methylethyl)oxazole is a volatile constituent of roasted peanuts, French fries, cocoa butter, fried bacon, fried chicken and coffee.
5-Acetyl-2,4-dimethyloxazole
5-Acetyl-2,4-dimethyloxazole is found in coffee and coffee products. 5-Acetyl-2,4-dimethyloxazole is a constituent of Arabica coffee and baked potato aromas. Constituent of Arabica coffee and baked potato aromas. 5-Acetyl-2,4-dimethyloxazole is found in coffee and coffee products and potato.
Deferiprone
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AC - Iron chelating agents D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone
(2e)-2-ethylidene-4-hydroxy-5-methyl-3(2h)-furanone is soluble (in water) and a very weakly acidic compound (based on its pKa). (2e)-2-ethylidene-4-hydroxy-5-methyl-3(2h)-furanone can be found in a number of food items such as green vegetables, black cabbage, mammee apple, and mamey sapote, which makes (2e)-2-ethylidene-4-hydroxy-5-methyl-3(2h)-furanone a potential biomarker for the consumption of these food products.
(E,E)-4-ethyl-2,4 -hexadienamide|(E,E)-4-ethyl-2,4-hexadienamide
4-methoxy-2-aminophenol
2-Amino-4-methoxyphenol is a volatile constituent in the aroma concentrate of Tieguanyin teas[1]. 2-Amino-4-methoxyphenol is used for the synthesis of pyridine analogues[2]. 2-Amino-4-methoxyphenol is a volatile constituent in the aroma concentrate of Tieguanyin teas[1]. 2-Amino-4-methoxyphenol is used for the synthesis of pyridine analogues[2].
Paresan
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents Choline chloride is an essential nutrient that activates alpha7 nicotinic receptors and has analgesic and anti-inflammatory activity. Glycerophosphoinositol choline can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline chloride is an essential nutrient that activates alpha7 nicotinic receptors and has analgesic and anti-inflammatory activity. Glycerophosphoinositol choline can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2].
(S)-(6,7-DIHYDRO-5H-PYRROLO[1,2-B][1,2,4]TRIAZOL-5-YL)METHANOL
2(1H)-Pyrimidinone, 5-methyl-4-(methylamino)- (9CI)
2-CHLORO-6-FLUORO-2(TRIFLUOROMETHYL)PHENYLHYDRAZINE
4-Pyrimidinecarboxaldehyde,1,2-dihydro-2-oxo-, 4-oxime
(5-cyclopropyl-3-isoxazolyl)methanol(SALTDATA: FREE)
3-(hydroxymethyl)-1-methyl-1,2-dihydropyridin-2-one
1H-Pyrrole-2-carboxylicacid, 1-methyl-, methyl ester
1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine
Ethanone, 1-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)- (9CI)
Cyclopentanamine, 3-fluoro-, hydrochloride (1:1), (1S,3R)-
CyclopropaneMethanaMine, α-(trifluoroMethyl)-, (αR)-
(3aR,4S,7R,7aS)-rel-octahydro-4,7-Epoxy-1H-isoindole (Relative struc)
3-Pyridazinecarboxamide,1,6-dihydro-6-oxo-(6CI,7CI,9CI)
Deferiprone
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AC - Iron chelating agents D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
Choline chloride
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents Choline chloride is an organic compound and a quaternary ammonium salt. Choline chloride is mass produced and is an important additive in feed especially for chickens where it accelerates growth. Other commercial choline salts are choline hydroxide and choline bitartrate. In foodstuffs the compound is often present as phosphatidylcholine. Choline chloride is an essential nutrient that activates alpha7 nicotinic receptors and has analgesic and anti-inflammatory activity. Glycerophosphoinositol choline can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline chloride is an essential nutrient that activates alpha7 nicotinic receptors and has analgesic and anti-inflammatory activity. Glycerophosphoinositol choline can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2].
5-Azaniumylcyclohexa-1,3-diene-1-carboxylate
D004791 - Enzyme Inhibitors
3-Ethylcytosine
A pyrimidone that is cytosine substituted by an ethyl group at position 3.
Methylenecyclopropylpyruvate
D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
4-ethenyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
N-[(E)-1H-imidazol-2-yldiazenyl]-N-methylmethanamine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
An aminopyrimidine that is pyrimidine in which the hydrogens at positions 2, 4, and 5 are replaced by methyl, amino, and hydroxymethyl substituents, respectively.
5-Formylcytosine
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group.
1-formylpyrrolizidine
A pyrrolizidine alkaloid that is pyrrolizidine substituted by a formyl group at position 1.
1-Methyl-4-imidazoleacetate
A monocarboxylic acid anion that is the conjugate base of 1-methyl-4-imidazoleacetic acid, obtained by deprotonation of the carboxy group.
