Exact Mass: 111.9748
Exact Mass Matches: 111.9748
Found 106 metabolites which its exact mass value is equals to given mass value 111.9748,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Furoic acid
Furoic acid is a metabolite that appears in the urine of workers occupationally exposed to furfural and is a marker of exposure to this compound. Furfural is a heterocyclic aldehyde that is commonly used as a solvent in industry. It is readily absorbed into the body via the lungs and has significant skin absorption. Furfural is an irritant of the eyes, mucous membranes, and skin and is a central nervous system depressant. Furfural as a confirmed animal carcinogen with unknown relevance to humans (It has been suggested that is a substance that produces hepatic cirrhosis). Once in the body, furfural is metabolized rapidly via oxidation to the metabolite furoic acid, which is then conjugated with glycine and excreted in the urine in both free and conjugated forms. (PMID: 3751566, 4630229, 12587683). 2-Furoic acid is a biomarker for the consumption of beer. 2-Furancarboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=88-14-2 (retrieved 2024-07-10) (CAS RN: 88-14-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
Chlorobenzene
Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. This colorless, flammable liquid is a common solvent and a widely used intermediate in the manufacture of other chemicals. Rhodococcus phenolicus is a bacterium species able to degrade chlorobenzene as sole carbon sources.
1,1-Dichloroethylene epoxide
1,1-Dichloroethylene epoxide, also known as DCE epoxide is a compound belonging to the family of compounds known as orthocarboxylic acid derivatives. These are organic compounds containing the orhtocarboxylic acid functional group, with the RC(X)(X)X (R=H, alkyl,aryl; X=OH,alkoxy,aryloxy, (substituted amino), etc. (PMID: 16098521). Epoxides are compounds containing a cyclic ether with three ring atoms (one oxygen and two carbon atoms). DCE epoxide is a urinary metabolite of 1,1-Dichloroethene (DCE), or vinylidine chloride (PMID: 15319346, 11270662). DCE is mainly used as a comonomer in the production and polymerization of plastics such as polyvinyl chloride, acrylonitrile, and acrylates. As a result, DCE is widely distributed in the environment and in plastics. DCE was the precursor to the original form of saran-wrap or cling-wrap (clear plastic wrap used to preserve foods), but this has been phased out due to concerns over the carcinogenicity of DCE.
2,2-Dichloroacetaldehyde
This compound belongs to the family of Enolates. These are salts of enols (or of the tautomeric aldehydes or ketones), in which the anionic charge is delocalized over oxygen and carbon, or similar covalent metal derivatives in which the metal is bound to oxygen.
Chloroacetyl chloride
Chloroacetyl chloride is a chlorinated acyl chloride. It is a bifunctional compound, making it a useful building block chemical. (Wikipedia)
2-Thiophenecarboxaldehyde
Formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde. Thiophene-2-carbaldehyde is a natural product found in Coffea arabica, Sergia lucens, and Capparis spinosa with data available. An aldehyde that is thiophene substituted by a formyl group at position 2. 2-Thiophenecarboxaldehyde is a flavour ingredien COVID info from PDB, Protein Data Bank Flavour ingredient Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Thiophenecarboxaldehyde is an endogenous metabolite.
3-Furoic acid
3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315) [HMDB] 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315). 3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
2,3-Dihydroxy-2,4-cyclopentadien-1-one
2,3-Dihydroxy-2,4-cyclopentadien-1-one is found in herbs and spices. 2,3-Dihydroxy-2,4-cyclopentadien-1-one is a constituent of the seeds of Trifolium repens (white clover). Constituent of the seeds of Trifolium repens (white clover). 2,3-Dihydroxy-2,4-cyclopentadien-1-one is found in tea, herbs and spices, and pulses.
3-Hydroxy-2H-pyran-2-one
3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages. 3-Hydroxy-2H-pyran-2-one is a component of brandy spirit. Component of brandy spirit. 3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages.
Methylphosphate
Methylphosphate, also known as monomethyl phosphate or MMP, belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Methylphosphate is a moderately acidic compound (based on its pKa). Methylphosphate is a methyl ester of phosphoric acid. It is a colourless, nonvolatile liquid, and it has some specialized uses in the production of other compounds.
Thiophen-3-carboxyaldehyde
Thiophen-3-carboxyaldehyde is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. Thiophen-3-carboxyaldehyde is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Thiophen-3-carboxyaldehyde can be found in kohlrabi, which makes thiophen-3-carboxyaldehyde a potential biomarker for the consumption of this food product.
Magnesium oxalate
Magnesium oxalate, also known as magnesium oxalic acid or dipotassium oxalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Magnesium oxalate is soluble (in water) and a moderately acidic compound (based on its pKa). Magnesium oxalate can be found in garden rhubarb, which makes magnesium oxalate a potential biomarker for the consumption of this food product. Magnesium oxalate is an inorganic compound comprising a magnesium cation with a 2+ charge bonded to an oxalate anion. It has the chemical formula MgC2O4. Magnesium oxalate is a white solid that comes in two forms: an anhydrous form and a dihydrate form where two water molecules are complexed with the structure. Both forms are practically insoluble in water and are insoluble in organic solutions .
Sodium lactate
Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses. Sodium lactate is the sodium salt of lactic acid produced by fermentation of a sugar source, such as corn or beets. As a food additive, sodium lactate has the E number E325 and naturally is a Liquid product, but also is available in powder form. Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses
Methanethiosulfonate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
8J0G2X46R7
3-Hydroxy-4H-pyran-4-one is a natural product found in Parthenium integrifolium, Erigeron breviscapus, and Erigeron annuus with data available. Pyromeconic acid is an antifungal substance[1]. Pyromeconic acid is an antifungal substance[1].
3-FUROIC ACID
A furoic acid carrying the carboxy group at position 3. 3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
2-FUROIC ACID
A furoic acid having the carboxylic acid group located at position 2. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
Sodium lactate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
Sodium D-lactate
D-(-)-Lactic acid ((R)-2-Hydroxypropionic acid ) sodium is an endogenous metabolite.
Sodium methoxyacetate
An organic sodium salt comprising equal numbers of sodium and methoxyacetate ions.
furoic acid
2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
2-Thiophenecarboxaldehyde
2-thiophenecarboxaldehyde, also known as alpha-formylthiophene or 2-thienylaldehyde, is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-thiophenecarboxaldehyde is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-thiophenecarboxaldehyde has a sulfurous taste. 2-thiophenecarboxaldehyde exists in all eukaryotes, ranging from yeast to humans. 2-Thiophenecarboxaldehyde is an endogenous metabolite.
Magnesium oxalate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019163 - Reducing Agents
Methyl dihydrogen phosphate
A monoalkyl phosphate having methyl as the alkyl group.
thiophosphate(2-)
A phosphorus oxoanion obtained by selective deprotonation of two of the three phosphate OH groups of thiophosphoric acid.
3-formylthiophene
An aldehyde that is thiophene substituted by a formyl group at position 3.
thiosulfate(2-)
A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.
methylselenenic acid
An organoselenium compound comprising a methyl and hydroxy group covalently bound to a selenium atom.
