Exact Mass: 130.1093
Exact Mass Matches: 130.1093
Found 226 metabolites which its exact mass value is equals to given mass value 130.1093,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
N-Acetylputrescine
N-Acetylputrescine is a polyamine commonly occurring excreted in normal human urine (PMID 7775374). N-Acetylputrescine is the most abundant of all polyamines both in normal individuals and in patients with leukemia (PMID 9464484). N-Acetylputrescine is the N-acetylated form of the naturally occurring polyamine called putrescine. The N-acetylation is mediated by the enzyme diamine N-acetyltransferase. Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. N-Acetylputrescine can be found in Corynebacterium as well (PMID:25919117). N-Acetylputrescine is a polyamine commonly occurring excreted in normal human urine (PMID 7775374). N-Acetylputrescine is the most abundant of all polyamines both in normal individuals and in patients with leukemia (PMID 9464484). N-Acetylputrescine is the N-acetylated form of the naturally occurring polyamine called putrescine. The N-acetylation is mediated by the enzyme diamine N-acetyltransferase. Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A051
Heptanoic acid
Heptanoic acid, or C7:0 also known as enanthic acid or heptylic acid, belongs to the class of organic compounds known as medium-chain fatty acids. Medium-chain fatty acids (MCFA) are fatty acids with aliphatic tails of 6 to 12 carbons, which can form medium-chain triglycerides Heptanoic acid is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether. Its name derives from the Latin oenanthe which is in turn derived from the Ancient Greek oinos "wine" and anthos "blossom." Heptanoic acid is used in the preparation of esters, such as ethyl enanthate, which are used in fragrances and as artificial flavors. The triglyceride ester of heptanoic acid is the triheptanoin, which is used in certain medical conditions as a nutritional supplement. Present in essential oils, e.g. violet leaf oil, palm oiland is also present in apple, feijoa fruit, strawberry jam, clove bud, ginger, black tea, morello cherry, grapes, rice bran and other foodstuffs. Flavouring ingredient. It is used as one of the components in washing solns. used to assist lye peeling of fruit and vegetables
N-Nitrosodipropylamine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3456 D009676 - Noxae > D002273 - Carcinogens
Ethyl isovalerate
Ethyl isovalerate, also known as ethyl isopentanoate or fema 2463, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acids. Ethyl isovalerate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Found in fruits and vegetables e.g. apple, banana, melon, strawberry, pineapple, blackberries and celery. It is used in fruit aroma compositions. Flavouring ingredient.
Isopentyl acetate
Isopentyl acetate, also known as isoamyl acetate or amylacetic ester, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Isopentyl acetate is an ester formed from isoamyl alcohol and acetic acid. It is a colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Isopentyl acetate has a sweet, fruity banana odor and similar sweet, fruity banana taste. Isopentyl acetate is used to confer banana flavor in foods. Isopentyl acetate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Outside of the human body, Isopentyl acetate is found, on average, in the highest concentration within a few different foods, such as red wines, white wines, and beers. Isopentyl acetate has also been detected, but not quantified in, several different foods, such as blackberries (Rubus), figs (Ficus carica), red teas, bananas (Musa acuminata), and black elderberries (Sambucus nigra). This could make isopentyl acetate a potential biomarker for the consumption of these foods. Isopentyl acetate occurs naturally in the banana plant and it is also produced synthetically. Based on a literature review a significant number of articles have been published on Isopentyl acetate. Pure isopentyl acetate, or mixtures of isopentyl acetate, amyl acetate, and other flavors may be referred to as banana oil. Because of its intense, pleasant odor and its low toxicity, isopentyl acetate is used to test the effectiveness of respirators or gas masks. Isopentyl acetate is released by a honey bees sting where it serves as a pheromone beacon to attract other bees and provoke them to sting. Present in many fruit aromas, especies banana. It is used in banana flavouring
Isopropyl butyrate
Isopropyl butyrate is found in alcoholic beverages. Isopropyl butyrate is present in apricot, kumquat peel oil, American cranberry, papaya, strawberry, spineless monkey orange and sparkling wine. Isopropyl butyrate is a flavouring ingredient. Present in apricot, kumquat peel oil, American cranberry, papaya, strawberry, spineless monkey orange and sparkling wine. Flavouring ingredient. Isopropyl butyrate is found in alcoholic beverages and fruits.
Pentyl acetate
Flavouring agent. Pentyl acetate is found in many foods, some of which are cocoa bean, sweet bay, peach, and apple. Pentyl acetate is found in apple. Pentyl acetate is a flavouring agent.
Methyl hexanoate
Methyl hexanoate, also known as methyl caproate or methyl hexoic acid, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Methyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Present in wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Flavouring agent. Methyl hexanoate is found in many foods, some of which are milk and milk products, fruits, pineapple, and apple.
2-Methylbutyl acetate
2-Methylbutyl acetate, also known as active amyl acetate or fema 3644, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 2-Methylbutyl acetate is a sweet, banana, and fruit tasting compound. 2-methylbutyl acetate is found, on average, in the highest concentration in allspices. 2-methylbutyl acetate has also been detected, but not quantified, in figs and pomes. This could make 2-methylbutyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-methylbutan-1-ol. Present in apple juice, flavouring ingredient. 2-Methylbutyl acetate is found in allspice, fig, and pomes.
5-Methylhexanoic acid
5-Methylhexanoic acid is found in animal foods. 5-Methylhexanoic acid is present in heated pork, strawberry and te Present in heated pork, strawberry and tea. 5-Methylhexanoic acid is found in tea, animal foods, and fruits.
2-Methylpropyl propanoate
2-Methylpropyl propanoate is a flavouring ingredien Flavouring ingredient
(±)-2-Pentanol acetate
(±)-2-Pentanol acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Butyl propionate
Butyl propionate is a flavouring ingredien Flavouring ingredient
2-Methylhexanoic acid
(±)-2-Methylhexanoic acid is a flavouring ingredien It is used as a food additive . 2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1].
Methyl 4-methylpentanoate
Methyl 4-methylpentanoate is a member of the class of compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Thus, methyl 4-methylpentanoate is considered to be a fatty ester lipid molecule. Methyl 4-methylpentanoate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl 4-methylpentanoate can be found in fruits, which makes methyl 4-methylpentanoate a potential biomarker for the consumption of this food product. Methyl 4-methylpentanoate is found in fruits. Methyl 4-methylpentanoate is present in pineapple. Methyl 4-methylpentanoate is a flavouring ingredient with a sweet, pineapple-like flavou
Ethyl 2-methylbutyrate
Ethyl 2-methylbutyrate is found in bilberry. Ethyl 2-methylbutyrate is found in many fruits, e.g.raw and cooked apple, apricot, orange, grapefruit. Ethyl 2-methylbutyrate is a flavouring agent. Ethyl 2-methylbutyrate is used in fruit flavouring. Found in many fruits, e.g.raw and cooked apple, apricot, orange, grapefruit. Flavouring agent. It is used in fruit flavouring.
cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane
cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Hexyl formate
Present in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Flavouring ingredient. Hexyl formate is found in many foods, some of which are peach, apple, fruits, and root vegetables. Hexyl formate is found in apple. Hexyl formate is present in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Hexyl formate is a flavouring ingredient.
Propyl 2-methylpropanoate
Propyl 2-methylpropanoate is used in fruit flavourin It is used in fruit flavouring
Methyl (±)-2-methylpentanoate
Methyl (±)-2-methylpentanoate is a flavouring ingredien Flavouring ingredient
Isopropyl 2-methylpropanoate
Isopropyl 2-methylpropanoate is found in pineapple. Isopropyl 2-methylpropanoate is used in fruit flavouring. It is used in fruit flavouring. Isopropyl 2-methylpropanoate is found in pineapple.
Propyl butyrate
Propyl butyrate, also known as propyl butanoate, is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as a human metabolite, a plant metabolite and an insect attractant. It derives from a propan-1-ol. Propyl butyrate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Propyl butyrate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Present in many fruits, e.g. apple, apricot, banana, melon, papaya etc., also present in Camembert and other cheeses. Flavouring ingredient. Propyl butyrate is found in pomes, milk and milk products, and fruits.
Ethyl pentanoate
Ethyl pentanoate, commonly known as ethyl valerate, is an organic compound used in flavouring foods and enhancing the aroma of cosmetics. It is an ester with the molecular formula C7H14O2. This colourless liquid is poorly soluble in water but miscible with organic solvents. Ethyl pentanoate is found naturally in a variety of alcoholic beverages such as various wines, Bantu beer, and sake. It is also found in other foods such as honey, apple, banana, morello cherry, guava and a number of other fruits. Industrially, ethyl pentanoate is used as a flavouring agent and has a pleasant apple or pineapple-like aroma or scent and a strawberry or pineapple-like taste. It can also be found in tropical-scented cosmetics. Present in wines, Bantu beer, sake, honey, apple, banana, morello cherry, guava and other fruits. Flavouring agent
N-acetylputrescine
An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine.
HEPTANOIC ACID
A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.
Methyl hexoate
A fatty acid methyl ester derived from hexanoic (caproic acid).
Propyl butyrate
A butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid.
(2E)-3-methyl-3-(methylamino)butan-2-one oxime(SALTDATA: FREE)
N~1~,N~1~,N~3~-trimethyl-beta-alaninamide(SALTDATA: FREE)
2-METHYLHEXANOIC ACID
2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1].
Ethyl 2-methylbutyrate
A fatty acid ethyl ester obtained by the formal condensation of 2-methylbutyric acid with ethanol. It is a constituent of the aroma of wines, strawberries, blueberries, and apples.
