Exact Mass: 109.0311
Exact Mass Matches: 109.0311
Found 181 metabolites which its exact mass value is equals to given mass value 109.0311,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
aminophenol
The aminophenol which has the single amino substituent located ortho to the phenolic -OH group. CONFIDENCE standard compound; INTERNAL_ID 8011 KEIO_ID A114
4-Aminophenol
4-aminophenol is considered a minor nephrotoxic metabolite of phenacetin and acetaminophen (paracetamol) in man. 4-Aminophenol can undergo autoxidations and metal-catalyzed and enzymatic oxidations in man to produce reactive oxygen species. (PMID 1713494). 4-aminophenol is considered a minor nephrotoxic metabolite of phenacetin and acetaminophen (paracetamol) in man. CONFIDENCE standard compound; INTERNAL_ID 8255 D009676 - Noxae > D009153 - Mutagens
Hypotaurine
Hypotaurine belongs to the class of organic compounds known as sulfinic acids. Sulfinic acids are compounds containing a sulfinic acid functional group, with the general structure RS(=O)OH (R = organyl, not H). Hypotaurine exists in all living species, ranging from bacteria to humans. Within humans, hypotaurine participates in a number of enzymatic reactions. In particular, hypotaurine can be biosynthesized from cysteamine; which is catalyzed by the enzyme 2-aminoethanethiol dioxygenase. In addition, hypotaurine can be biosynthesized from 3-sulfinoalanine through its interaction with the enzyme cysteine sulfinic acid decarboxylase. In humans, hypotaurine is involved in taurine and hypotaurine metabolism. [Spectral] Hypotaurine (exact mass = 109.01975) and Cytosine (exact mass = 111.04326) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Hypotaurine is a product of enzyme cysteamine dioxygenase [EC 1.13.11.19] in taurine and hypotaurine metabolism pathway (KEGG). It may function as an antioxidant and a protective agent under physiological conditions (PMID 14992269). [HMDB] Hypotaurine (2-aminoethanesulfinic acid), an intermediate in taurine biosynthesis from cysteine in astrocytes, is an endogenous inhibitory amino acid of the glycine receptor. Antioxidant[1].
Tetramethylammonium chloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants
2-Acetylpyrrole
2-acetylpyrrole, also known as 1-(1h-pyrrol-2-yl)1-ethanone or 2-pyrrolyl methyl ketone, is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 2-acetylpyrrole is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetylpyrrole is a bread, coumarin, and licorice tasting compound and can be found in a number of food items such as green vegetables, tea, nuts, and white mustard, which makes 2-acetylpyrrole a potential biomarker for the consumption of these food products. 2-Acetylpyrrole, also known as fema 3202 or pyrrole, 2-acetyl, belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 2-Acetylpyrrole is a bread, nut, and walnut tasting compound. 2-Acetylpyrrole has been detected, but not quantified, in tea. This could make 2-acetylpyrrole a potential biomarker for the consumption of these foods. A pyrrole carrying an acetyl substituent at the 2-position. 2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2]. 2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].
1-Methyl-2-pyrrolecarboxaldehyde
1-Methyl-2-pyrrolecarboxaldehyde is a maillard product. Maillard product
3-Pyridinemethanol
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AC - Nicotinic acid and derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
3,4-Diaminopyridine
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker N - Nervous system
Carbapenem
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-Methoxypyridine
3-methoxypyridine is a member of the class of compounds known as alkyl aryl ethers. Alkyl aryl ethers are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R , where R is an alkyl group and R is an aryl group. 3-methoxypyridine is soluble (in water) and a strong basic compound (based on its pKa). 3-methoxypyridine can be found in tea, which makes 3-methoxypyridine a potential biomarker for the consumption of this food product.
3-Hydroxy-2-methylpyridine
3-Hydroxy-2-methylpyridine, isolated from alkaline extracts of cocoa, is used in the synthesis of pyrimidine[1]. 3-Hydroxy-2-methylpyridine, isolated from alkaline extracts of cocoa, is used in the synthesis of pyrimidine[1].
Nicotinyl alcohol
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AC - Nicotinic acid and derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2methylpyridin-3-ol
3-Hydroxy-2-methylpyridine is a natural product found in Astragalus mongholicus, Streptomyces, and Salvia divinorum with data available. 3-Hydroxy-2-methylpyridine, isolated from alkaline extracts of cocoa, is used in the synthesis of pyrimidine[1]. 3-Hydroxy-2-methylpyridine, isolated from alkaline extracts of cocoa, is used in the synthesis of pyrimidine[1].
2-Aminoethanesulfinic acid
An aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position. Hypotaurine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=300-84-5 (retrieved 2024-07-15) (CAS RN: 300-84-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Hypotaurine (2-aminoethanesulfinic acid), an intermediate in taurine biosynthesis from cysteine in astrocytes, is an endogenous inhibitory amino acid of the glycine receptor. Antioxidant[1].
4-aminophenol
An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. D009676 - Noxae > D009153 - Mutagens MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; PLIKAWJENQZMHA-UHFFFAOYSA-N_STSL_0197_4-Aminophenol_0125fmol_180831_S2_L02M02_46; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
2-Aminophenol
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; CDAWCLOXVUBKRW-UHFFFAOYSA-N_STSL_0192_2-Aminophenol_0031fmol_180831_S2_L02M02_10; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
2-ACETYLPYRROLE
2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2]. 2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].
1-Methylguanidinhydrochlorid
1-Methylguanidine hydrochloride is an endogenous metabolite.
Tetramethylammonium chloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants
Amifampridine
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker N - Nervous system
AIDS-019597
2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2]. 2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].
Carbapenem
An organic heterobicyclic compound that consists of (5R)-1-azabicyclo[3.2.0]hept-2-ene bearing a 7-keto substituent. The parent of the class of carbapenems. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
hypotaurine zwitterion
Zwitterionic form of hypotaurine arising from migration of a proton from the sulfonate group to the amino group; major species at pH 7.3.
