Exact Mass: 61.987819
Exact Mass Matches: 61.987819
Found 63 metabolites which its exact mass value is equals to given mass value 61.987819,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dimethylsulfide
Dimethylsulfide is the predominant volatile sulfur compound (VSC) in breadth malodor, a metabolite of suplatast tosilate (a dimethylsulphonium compound for the treatment of asthma) in patients that regularly take that medication. (PMID 14628896). Dimethylsulfide is a sulfur containing organic chemical compound with a disagreeable odor. In vapor form it is produced by cooking of certain vegetables, notably corn and cabbage, and seafood. It is also an indication of bacterial infection in malt production and brewing. It is a breakdown product of dimethylsulfoniopropionate, and is also produced by the bacterial metabolism of methanethiol. Dimethylsulfide in concentrated liquid form is insoluble and a flammable. This is a microbial metabolite that can be found in Bradyrhizobium, Cyanothece, Escherichia, Pseudomonas and Rhizobiaceae (PMID:25807229). Dimethyl sulfide (DMS) or methylthiomethane is an organosulfur compound with the formula (CH3)2S. Dimethyl sulfide is a water-insoluble flammable liquid that boils at 37 °C (99 °F) and has a characteristic disagreeable odor. It is a component of the smell produced from cooking of certain vegetables, notably maize, cabbage, beetroot and seafoods. It is also an indication of bacterial infection in malt production and brewing. It is a breakdown product of dimethylsulfoniopropionate (DMSP), and is also produced by the bacterial metabolism of methanethiol. Dimethyl sulfide is found in many foods, some of which are soft-necked garlic, chives, spearmint, and potato.
ETHYLENE GLYCOL
It is used as a food additive . A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
Boric acid (H3BO3)
Food contaminant deriving from paper and paperboard in contact with food. V. limited use as an antibacterial agent in caviar. Boric acid (H3BO3) is found in many foods, some of which are pomegranate, fig, french plantain, and redcurrant. Boric acid (H3BO3) is found in fig. Boric acid (H3BO3) is a food contaminant deriving from paper and paperboard in contact with food. V. limited use as an antibacterial agent in cavia S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Same as: D01089
Peroxynitrite
The nitrogen oxoanion formed by loss of a proton from peroxynitrous acid.
Hydrogen carbonate
Bicarbonate, or hydrogen carbonate, is a simple single carbon molecule that plays surprisingly important roles in diverse biological processes. Among these are photosynthesis, the Krebs cycle, whole-body and cellular pH regulation, and volume regulation. Since bicarbonate is charged it is not permeable to lipid bilayers. Mammalian membranes thus contain bicarbonate transport proteins to facilitate the specific transmembrane movement of HCO3(-). Bicarbonate ion is an anion that consists of one central carbon atom surrounded by three oxygen atoms in a trigonal planar arrangement, with a hydrogen atom attached to one of the oxygens. The bicarbonate ion carries a negative one formal charge and is the conjugate base of carbonic acid, H2CO3. The carbonate radical is an elusive and strong one-electron oxidant. Bicarbonate in equilibrium with carbon dioxide constitutes the main physiological buffer. The bicarbonate-carbon dioxide pair stimulates the oxidation, peroxidation and nitration of several biological targets. The demonstration that the carbonate radical existed as an independent species in aqueous solutions at physiological pH and temperature renewed the interest in the pathophysiological roles of this radical and related species. The carbonate radical has been proposed to be a key mediator of the oxidative damage resulting from peroxynitrite production, xanthine oxidase turnover and superoxide dismutase1 peroxidase activity. The carbonate radical has also been proposed to be responsible for the stimulatory effects of the bicarbonate-carbon dioxide pair on oxidations mediated by hydrogen peroxide/transition metal ions. The ultimate precursor of the carbonate radical anion being bicarbonate, carbon dioxide, peroxymonocarbonate or complexes of transition metal ions with bicarbonate-derived species remains a matter of debate. The carbonate radical mediates some of the pathogenic effects of peroxynitrite. The carbonate radical as the oxidant produced from superoxide dismutase (EC 1.15.1.1, SOD1) peroxidase activity. Peroxymonocarbonate is a biological oxidant, whose existence is in equilibrium with hydrogen peroxide and bicarbonate (PMID: 17505962, 17215880). Hydrogen carbonate is found to be associated with hawkinsinuria, which is an inborn error of metabolism. Carbonic acid (ancient name acid of air or aerial acid) is the only inorganic carbon acid, and has the formula H2CO3. It is also a name sometimes given to solutions of carbon dioxide in water, which contain small amounts of H2CO3. The salts of carbonic acids are called bicarbonates (or hydrogencarbonates) and carbonates. (wikipedia) [HMDB]. Carbonic acid is found in many foods, some of which are sapodilla, anise, common beet, and abiyuch.
Polyethylene glycol
Polyethylene glycol (PEG) is a polyether compound with many applications from industrial manufacturing to medicine. PEG is also known as polyethylene oxide (PEO) or polyoxyethylene (POE), depending on its molecular weight. PEG, PEO, or POE refers to an oligomer or polymer of ethylene oxide. Polyethylene glycol is produced by the interaction of ethylene oxide with water, ethylene glycol, or ethylene glycol oligomers. PEG is the basis of a number of laxatives (e.g. macrogol-containing products such as Movicol and polyethylene glycol 3350, or SoftLax, MiraLAX, or GlycoLax). Whole bowel irrigation with polyethylene glycol and added electrolytes is used for bowel preparation before surgery or colonoscopy. PEG is used as an excipient in many pharmaceutical products. Lower-molecular-weight variants are used as solvents in oral liquids and soft capsules, whereas solid variants are used as ointment bases, tablet binders, film coatings, and lubricants (Wikipedia). It has been shown that polyethylene glycol can improve healing of spinal injuries in dogs. Earlier findings that polyethylene glycol can aid in nerve repair came from the University of Texas (Krause and Bittner). Polyethylene glycol is commonly used to fuse B-cells with myeloma cells in monoclonal antibody production. PEG has recently been proven to give better results in constipation patients than tegaserod. Since PEG is a flexible, water-soluble polymer, it can be used to create very high osmotic pressures (tens of atmospheres). It also is unlikely to have specific interactions with biological chemicals. These properties make PEG one of the most useful molecules for applying osmotic pressure in biochemistry experiments, particularly when using the osmotic stress technique. Polyethylene glycol has been shown to exhibit excitant, anesthetic, radical scavenger, anti-microbial, and laxative functions (PMID: 10726226, 9485637, 11179847, 19089178, 20011352).
Nitrate
In inorganic chemistry, a nitrate is a salt of nitric acid. In organic chemistry the esters of nitric acid and various alcohols are called nitrates. The nitrate ion is a polyatomic anion with the empirical formula NO3- and a molecular mass of 62.01 daltons; it consists of one central nitrogen atom surrounded by three identical oxygen atoms in a trigonal planar arrangement. The nitrate ion carries a negative one formal charge. Nitrates should not be confused with nitrites, the salts of nitrous acid. Organic compounds containing the nitro functional group (which has the same formula and structure as the nitrate ion save that one of the O2 atoms is replaced by the R group) are known as nitro compounds. Nitrate ions can be toxic. In particular, nitrate toxicosis in humans occurs through enterohepatic metabolism of nitrates to ammonia, with nitrite being an intermediate. Nitrites oxidize the iron atoms in hemoglobin from Ferrous Iron (2+) to Ferric Iron (3+), rendering it unable to carry oxygen. This condition is called methemoglobinemia and can lead to a lack of oxygen in tissues. Methemoglobinemia can be treated with methylene blue. -- Wikipedia. The nitrate ion is a polyatomic ion. Nitrates are mainly produced for use as fertilizers in agriculture because of their high solubility and biodegradability. The main nitrates are ammonium, sodium, potassium, and calcium salts. Several million kilograms are produced annually for this purpose. [Wikipedia]. Nitrate is found in many foods, some of which are canola, peach, spelt, and loquat.
Dimethyl peroxide
Dimethyl peroxide is found in green vegetables. Dimethyl peroxide is a constituent of Basella rubra (Malabar spinach)
Ethanethiol
Ethanethiol, also known as ethyl-mercaptan or ethanethiol sodium salt, is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain. Ethanethiol is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethanethiol is a fruity and sulfurous tasting compound found in potato, which makes ethanethiol a potential biomarker for the consumption of this food product. Ethanethiol may be a unique S.cerevisiae (yeast) metabolite. Ethanethiol, commonly known as ethyl mercaptan, is a clear liquid with a distinct odor. It is an organosulfur compound with the formula CH3CH2SH. Abbreviated EtSH, it consists of an ethyl group (Et), CH3CH2, attached to a thiol group, SH. Its structure parallels that of ethanol, but with sulfur in place of oxygen. The odor of EtSH is infamous. Ethanethiol is more volatile than ethanol due to a diminished ability to engage in hydrogen bonding. Ethanethiol is toxic. It occurs naturally as a minor component of petroleum, and may be added to otherwise odorless gaseous products such as liquefied petroleum gas (LPG) to help warn of gas leaks. At these concentrations, ethanethiol is not harmful .
Ethyl oxyhydrate
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Flavouring ingredient
BORIC ACID
S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Same as: D01089
Zerex
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
Glycol
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives A 1,2-glycol compound produced via reaction of ethylene oxide with water.
dimethyl sulfide
A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.