Exact Mass: 85.99794920000001
Exact Mass Matches: 85.99794920000001
Found 101 metabolites which its exact mass value is equals to given mass value 85.99794920000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
But-2-enoic acid
But-2-enoic acid, also known as (2E)-2-butenoate or alpha-crotonic acid, belongs to the class of organic compounds known as straight chain organic acids. These are organic acids with a straight aliphatic chain. But-2-enoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Food flavour component KEIO_ID C093 NSC 8751 is an endogenous metabolite. NSC 8751 is an endogenous metabolite.
Diacetyl
Diacetyl, also known as 2,3-butadione or dimethylglyoxal, belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms. Thus, diacetyl is considered to be an oxygenated hydrocarbon lipid molecule. Diacetyl is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Diacetyl exists in all living species, ranging from bacteria to humans. Diacetyl is a strong, sweet, and butter tasting compound. Outside of the human body, diacetyl is found, on average, in the highest concentration in kohlrabis. diacetyl has also been detected, but not quantified in several different foods, such as nances, tartary buckwheats, tamarinds, pineapples, and celeriacs. This could make diacetyl a potential biomarker for the consumption of these foods. Diacetyl is a potentially toxic compound. Diacetyl has been found to be associated with several diseases such as crohns disease, ulcerative colitis, and nonalcoholic fatty liver disease; also diacetyl has been linked to the inborn metabolic disorders including celiac disease. Constituent of butter; formed during fermentation. A common constituent of plant oils, production of breakdown of carbohydrates. Flavouring additive used in food industryand is also present in apple, orange, plum, okra, walnut, Bourbon vanilla, clary sage, soybean, coffee, honey, rose wine, port wine, cocoa and scallop
gamma-Butyrolactone
Gamma-butyrolactone (GBL), also known as 1,4-butanolide or 1,4-lactone, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. GBL can also be classified as a tetrahydrofuran substituted by an oxo group at position 2. Gamma-butyrolactone is soluble in ethanol and moderately miscible in water. Gamma-butyrolactone is a sweet, caramel, and creamy tasting compound. Gamma-butyrolactone exists in all living species, ranging from bacteria to plants to humans. It can be endogenously produced from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. Outside of the human body, gamma-butyrolactone has been detected, but not quantified in, several different foods, such as pepper (c. annuum), yellow bell peppers, orange bell peppers, soy beans, evergreen blackberries and a variety of wines (at a concentration of 5 ug/mL) (PMID: 15939164). This could make gamma-butyrolactone a potential biomarker for the consumption of these foods. Gamma-butyrolactone is rapidly converted into gamma-hydroxybutyrate by paraoxonase (lactonase) enzymes, found in the blood. Because it can serve as a prodrug for gamma-hydroxybutyrate (GHB), Gamma-butyrolactone is commonly used as a recreational CNS depressant with effects similar to those of barbiturates. Industrially gamma-butyrolactone is used as a common solvent for polymers and alcohols, a chemical intermediate, a raw material for pharmaceuticals, and as a paint stripper, superglue remover, and a stain remover. Present in morello cherry, melon, pineapple, blackberry, quince, strawberry jam, wine, soybeans, black tea, Bourbon vanilla, wheat bread, crispbread and other breads. Flavour ingredient [DFC]. gamma-Butyrolactone is found in many foods, some of which are yellow bell pepper, pepper (c. annuum), red bell pepper, and pulses. D012997 - Solvents
Ethenyl acetate
Polyvinyl acetate 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 .
Methyl acrylate
Methyl acrylate is a contact allergen present in nail lacquer.; Methyl acrylate is a volatile alpha beta unsubstituted methyl ester used in the preparation of polyamidoamine (PAMAM) dendrimers typically by Michael addition with a primary amine. Methyl acrylate is a contact allergen present in nail lacquer. Methyl acrylate is a volatile alpha beta unsubstituted methyl ester used in the preparation of polyamidoamine (PAMAM) dendrimers typically by Michael addition with a primary amine.
Divinyl sulfide
Divinyl sulfide is found in onion-family vegetables. Divinyl sulfide is present in oil of Allium species. Present in oil of Allium subspecies Divinyl sulfide is found in onion-family vegetables.
Chlorate
The chlorate anion has the formula ClO3−. In this case, the chlorine atom is in the +5 oxidation state. "Chlorate" can also refer to chemical compounds containing this anion; chlorates are the salts of chloric acid. "Chlorate", when followed by a roman numeral in parenthesis, e.g. chlorate(VII), refers to a particular oxyanion of chlorine. As predicted by VSEPR, chlorate anions have trigonal pyrimidal structures. Chlorates are powerful oxidizers and should be kept away from organics or easily oxidized materials. Chlorates were once widely used in pyrotechnics, though their use has fallen due to their instability. Most pyrotechnic applications which used chlorates in the past now use perchlorates instead (Wikipedia). Chlorates are inorganic salts of chloric acid that contain the ClO3- ion. Chlorate is a selective inhibitor of the synthesis of the high energy donor of sulfate 3-phosphoadenosine 5-phosphosulfate (PAPS). High endothelial venules (HEVs) are specialized post-capillary venules found in lymphoid tissues, that support high levels of lymphocyte extravasation from the blood; sulfation is key to the uniqueness of the HEV ligands and PAPS synthesis is required for sulfation. (PMID: 9498065). Chlorate is a sulfate analogue that has been found to be a potent and nontoxic inhibitor of sulfation. Tyrosine sulfation is a widespread posttranslational modification that occurs in the trans Golgi in a reaction catalyzed by tyrosylprotein sulfotransferase. Tyrosine sulfation has been found to be irreversible, resulting in a life-long alteration in the phenotype of the secretory proteins. The intracellular transport kinetics of a secretory protein and the biological activity of certain neuropeptides have been found to be affected by this modification. (PMID: 3288098). Na chlorate intoxication can occur mainly through poisoning by herbicides containing chlorate salts. (PMID: 10831921, 2239069). The chlorate anion has the formula ClO3−. In this case, the chlorine atom is in the +5 oxidation state. "Chlorate" can also refer to chemical compounds containing this anion; chlorates are the salts of chloric acid. "Chlorate", when followed by a roman numeral in parenthesis, e.g. chlorate(VII), refers to a particular oxyanion of chlorine.
Oxolan-3-one
Oxolan-3-one is a urinary organic acid normally found in a healthy pediatric population (PMID: 14708889). Oxolan-3-one is a metabolite that has been described in the urine of lactic acidosis patients. (PMID: 6434850). Oxolan-3-one is a urinary organic acid normally found in a healthy pediatric population (PMID: 14708889)
2,3-Dihydrothiophene
2,3-Dihydrothiophene is a maillard product Dihydrothiophene is a heterocyclic compound. Maillard product
Isocrotonic acid
Isocrotonic acid is used in food preservatives.Isocrotonic acid (or quartenylic acid) is the cis analogue of crotonic acid. It is an oil, possessing a smell similar to that of brown sugar. (Wikipedia It is used in food preservatives
METHACRYLIC ACID
Methacrylic acid, also known as A-methacrylate or 2-methyl-2-propenoic acid, is a member of the class of compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Methacrylic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methacrylic acid can be synthesized from acrylic acid. Methacrylic acid is also a parent compound for other transformation products, including but not limited to, bisphenol A dimethacrylate, trichagmalin B, and methyl methacrylate. Methacrylic acid can be found in roman camomile, which makes methacrylic acid a potential biomarker for the consumption of this food product. Methacrylic acid, abbreviated MAA, is an organic compound. This colorless, viscous liquid is a carboxylic acid with an acrid unpleasant odor. It is soluble in warm water and miscible with most organic solvents. Methacrylic acid is produced industrially on a large scale as a precursor to its esters, especially methyl methacrylate (MMA) and poly(methyl methacrylate) (PMMA). The methacrylates have numerous uses, most notably in the manufacture of polymers with trade names such as Lucite and Plexiglas. MAA occurs naturally in small amounts in the oil of Roman chamomile .
Sodium phosphinate
Emulsifier or stabilizer used in foods, e.g. cod-liver oil emulsions
gamma-Butyrolactone
A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. D012997 - Solvents
Crotonic acid
A but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. But-2-enoic acid is fatty acid formed by the action of fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between (R)-3-Hydroxybutyric acid and fatty acid synthase. [HMDB]. NSC 8751 is an endogenous metabolite. NSC 8751 is an endogenous metabolite.
FA 4:1
NSC 8751 is an endogenous metabolite. NSC 8751 is an endogenous metabolite.
Erythritol anhydride
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
2-Iminopropanoate
A monocarboxylic acid anion that is the conjugate base of 2-iminopropionic acid, obtained by deprotonation of the carboxy group.
AI3-06287
NSC 8751 is an endogenous metabolite. NSC 8751 is an endogenous metabolite.
2,3-butanedione
An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.
2,2-Bioxirane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
But-3-enoic acid
That isomer of butenoic acid having the double bond at position C-3.
1,2,3,4-diepoxybutane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens