Exact Mass: 88.0826
Exact Mass Matches: 88.0826
Found 53 metabolites which its exact mass value is equals to given mass value 88.0826,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1-Pentanol
1-Pentanol, also known as butylcarbinol or 1-pentyl alcohol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, 1-pentanol is considered to be a fatty alcohol lipid molecule. 1-Pentanol is an organic compound with the formula C5H12O. 1-Pentanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. All eight isomers of 1-Pentanol are known:; It is a colourless liquid of density 0.8247 g/cm3 (0 oC), boiling at 131.6 oC, slightly soluble in water, easily soluble in organic solvents. 1-Pentanol exists in all eukaryotes, ranging from yeast to humans. 1-Pentanol is a sweet, balsamic, and fusel tasting compound. 1-Pentanol can be found in a few different foods, such as black walnuts, common thymes, and tea and in a lower concentration in safflowers, highbush blueberries, and kohlrabis. 1-Pentanol has also been detected, but not quantified, in several different foods, such as corns, garden tomato (var.), allspices, cherry tomato, and evergreen blackberries. It possesses a characteristic strong smell and a sharp burning taste. The other amyl alcohols may be obtained synthetically. It is a solid that melts at 48 to 50 °C and boils at 112.3 °C. On passing its vapour through a red-hot tube, it decomposes with production of acetylene, ethylene, propylene, and other compounds. Of these, tertiary 1-Pentanol has been the most difficult to obtain, its synthesis having first been reported in 1891, by L. Tissier (Comptes Rendus, 1891, 112, p. 1065) by the reduction of a mixture of trimethyl acetic acid and trimethylacetyl chloride with sodium amalgam. It is oxidized by chromic acid to isovaleraldehyde, and it forms crystalline addition compounds with calcium chloride and tin(IV) chloride. When pure, it is nontoxic, while the impure product is toxic. Widely distributed in plant sources, e.g. peppermint oil, tomatoes, tea, potatoes. Flavouring ingredient
Isopentanol
Isopentanol, also known as isoamyl alcohol or 3-methylbutanol, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, isopentanol is considered to be a fatty alcohol lipid molecule. Isopentanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Isopentanol exists in all eukaryotes, ranging from yeast to humans. Isopentanol is an alcoholic, banana, and burnt tasting compound. Isopentanol is found, on average, in the highest concentration within milk (cow). Isopentanol has also been detected, but not quantified, in several different foods, such as chinese cinnamons, grapefruits, walnuts, wild leeks, and spearmints. This could make isopentanol a potential biomarker for the consumption of these foods. Isopentanol is one of several isomers of amyl alcohol. Isopentanol is the major higher chain alcohol in alcoholic beverages and is present in cider, mead, beer, wine, and spirits to varying degrees, being obtained by the fermentation of starches. Isopentanol, with regard to humans, has been found to be associated with the diseases such as ulcerative colitis; isopentanol has also been linked to the inborn metabolic disorder celiac disease. Isopentanol is a metabolite found in Escherichia (PMID:18676713). Isopentyl alcohol is one of several isomers of amyl alcohol. It is a by-product of gut microbial fermentation (PMID: 17452087). It can be produced by 3-methylbutanal reductase (EC 1.1.1.265) from 3 methylbutanal. Isopentyl alcohol is the major higher chain alcohol in alcoholic beverages and is present in cider, mead, beer, wine, and spirits to varying degrees, being obtained by the fermentation of starches. Isopentanol has been shown to induce expression of CYP3A and CYP2E1 in human liver (PMID: 7574728). Isopentyl alcohol can also be found in many foods, some of which are chinese cabbage, white cabbage, elliotts blueberry, and pasta. It can be used as a flavouring agent.
Methyl-tert-butyl ether
Methyl-tert-butyl ether, also known as tert-butyl methyl ether, methyl t-butyl ether or MTBE, is classified as a member of the dialkyl ethers. Dialkyl ethers are organic compounds containing the dialkyl ether functional group, with the formula ROR, where R and R are alkyl groups. Methyl-tert-butyl ether is considered to be soluble (in water) and basic. It is used as a gasoline additive. Exposure may occur by breathing air contaminated with auto exhaust or gasoline fumes while refueling autos. Respiratory irritation, dizziness, and disorientation have been reported by some motorists and occupationally exposed workers. Acute (short-term) exposure of humans to methyl tert-butyl ether also has occurred during its use as a medical treatment to dissolve cholesterol gallstones. Chronic (long-term) inhalation exposure to methyl-tert-butyl ether has resulted in central nervous system (CNS) effects, respiratory irritation, liver and kidney effects, and decreased body weight gain in animals. United States Environmental Protection Agency has not classified methyl-tert-butyl ether with respect to potential carcinogenicity. (ChemoSummarizer) D004785 - Environmental Pollutants > D000393 - Air Pollutants D009676 - Noxae > D002273 - Carcinogens
2-Methyl-2-butanol
2-Methyl-2-butanol, also known as t-amyl alcohol (TAA) or amylene hydrate, belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H). 2-Methyl-2-butanol is a pungent tasting compound. 2-methyl-2-butanol has been detected, but not quantified, in several different foods, such as red bell peppers, pepper (c. annuum), fruits, yellow bell peppers, and orange bell peppers. This could make 2-methyl-2-butanol a potential biomarker for the consumption of these foods. In 1930s TAA was mainly used as a solvent for tribromoethanol (TBE), forming Avertin at a 0.5:1 volume ratio of TAA to TBE. When ingested, the effects of TAA may begin in about 30 minutes and can last up to 2 days. The oral LD50 in rats is 1 g/kg. Isolated from strawberry aroma. 2-Methyl-2-butanol is found in many foods, some of which are red bell pepper, fruits, yellow bell pepper, and orange bell pepper.
(S)-2-Methyl-1-butanol
(S)-2-Methyl-1-butanol, also known as sec-butylcarbinol or 2-methyl butanol-1, belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). (S)-2-Methyl-1-butanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (S)-2-methyl-1-butanol is considered to be a fatty alcohol lipid molecule. (S)-2-Methyl-1-butanol exists in all eukaryotes, ranging from yeast to humans. (S)-2-Methyl-1-butanol is a malt tasting compound. (S)-2-Methyl-1-butanol is found, on average, in the highest concentration within milk (cow) and it has also been detected, but not quantified, in several different foods, such as red raspberries, nectarines, carobs, wild leeks, and black-eyed pea. This could make (S)-2-methyl-1-butanol a potential biomarker for the consumption of these foods. Isolated from grapes, apples, tomatoes etc. (S)-2-Methyl-1-butanol is found in many foods, some of which are carrot, shallot, rose hip, and muskmelon.
2-Pentanol
2-Pentanol, also known as 1-methylbutanol or 2-hydroxypentane, belongs to the class of organic compounds known as secondary alcohols. A secondary alcohol that is pentane substituted at position 2 by a hydroxy group. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 2-Pentanol has been detected, but not quantified, in a few different foods, such as alcoholic beverages, fruits, and milk and milk products. Present in many foodstuffs, e.g. fruits, alcoholic beverages and cheeses. xi-2-Pentanol is found in alcoholic beverages, milk and milk products, and fruits.
3-Methyl-2-butanol
3-Methyl-2-butanol, also known as (CH3)2CHCH(OH)CH3 or 1,2-dimethylpropanol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 3-Methyl-2-butanol (IUPAC name, commonly called sec-isoamyl alcohol) is an organic chemical compound. 3-Methyl-2-butanol is a fruity tasting compound. 3-methyl-2-butanol has been detected, but not quantified, in several different foods, such as alcoholic beverages, citrus, fruits, and pomes. 3-Methyl-2-butanol is a flavouring ingredient. It is found in apple, cider, grape, honey, wine, orange juice and strawberry.
3-pentanol
3-Pentanol, also known as (C2H5)2choh or 3-pentyl alcohol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R, R=alkyl, aryl). 3-Pentanol is an extremely weak basic (essentially neutral) compound (based on its pKa). 3-Pentanol is a sweet, fruit, and herbal tasting compound. 3-Pentanol has been detected, but not quantified in, prickly pears. This could make 3-pentanol a potential biomarker for the consumption of these foods. 3-Pentanol is one of eight isomers of amyl alcohol. An amyl alcohol is any of 8 alcohols with the formula C5H12O. A mixture of amyl alcohols (also called amyl alcohol) can be obtained from fusel alcohol. Amyl alcohol is used as a solvent and in esterfication, by which is produced amyl acetate and other important products. The name amyl alcohol without further specification applies to the normal (straight-chain) form, 1-pentanol. Flavouring compound [Flavornet] 3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1]. 3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1].
3-PENTANOL
3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1]. 3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1].
2-Methylbutan-1-ol
A primary alcohol that is isopentane substituted by a hydroxy group at position 1. (s)-2-methyl-1-butanol, also known as active amyl alcohol or 2-methylbutyl alcohol, is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, (s)-2-methyl-1-butanol is considered to be a fatty alcohol lipid molecule (s)-2-methyl-1-butanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). (s)-2-methyl-1-butanol can be synthesized from isopentane (s)-2-methyl-1-butanol can also be synthesized into 2-methylbutyl acetate and 2-methylbutyl decanoate (s)-2-methyl-1-butanol is a malt tasting compound and can be found in a number of food items such as turmeric, salmonberry, garden cress, and horseradish tree, which makes (s)-2-methyl-1-butanol a potential biomarker for the consumption of these food products (s)-2-methyl-1-butanol can be found primarily in feces (s)-2-methyl-1-butanol exists in all eukaryotes, ranging from yeast to humans.
UNII:93FF0F303R
A secondary alcohol that is 2-butanol carrying an additional methyl substituent at position 3.
AI3-24335
3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1]. 3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. 3-pentanol elicits plant immunity against microbial pathogens and an insect pest in crop plants[1].
4-Ammoniobutanal
An ammonium ion that is the conjugate acid of 4-aminobutanal; major species at pH 7.3.
Ethylacetimidate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007096 - Imidoesters
Methyl tert-butyl ether
An ether having methyl and tert-butyl as the two alkyl components. D004785 - Environmental Pollutants > D000393 - Air Pollutants D009676 - Noxae > D002273 - Carcinogens
Pentan-3-ol
A secondary alcohol that is pentane substituted by a hydroxy group at position 3. It is produced by plants and is a component of emitted insect sex pheromones.
Pentan-2-ol
A secondary alcohol that is pentane substituted by a hydroxy group at position 2.
Pentan-1-ol
A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.
