Exact Mass: 104.1075
Exact Mass Matches: 104.1075
Found 163 metabolites which its exact mass value is equals to given mass value 104.1075,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,3-Diaminopropionic acid
2,3-Diaminopropionic acid, also known as L-2,3-diaminopropanoate or Dpr, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. 2,3-Diaminopropionic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,3-Diaminopropionic acid (2,3-diaminopropionate) is a non-proteinogenic amino acid found in certain secondary metabolites, including zwittermicin A and tuberactinomycin.2,3-Diaminopropionate is formed by the pyridoxal phosphate (PLP) mediated amination of serine. 2,3-Diaminopropionic acid exists in all living organisms, ranging from bacteria to humans. 2,3-Diaminopropionic acid is a metabolite of b-oxalyl-L-a,b-diaminopropionic acid a neurotoxic amino acid (ODAP). (PMID 5774501) COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Choline
Choline is a basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism. Choline is now considered to be an essential vitamin. While humans can synthesize small amounts (by converting phosphatidylethanolamine to phosphatidylcholine), it must be consumed in the diet to maintain health. Required levels are between 425 mg/day (female) and 550 mg/day (male). Milk, eggs, liver, and peanuts are especially rich in choline. Most choline is found in phospholipids, namely phosphatidylcholine or lecithin. Choline can be oxidized to form betaine, which is a methyl source for many reactions (i.e. conversion of homocysteine into methionine). Lack of sufficient amounts of choline in the diet can lead to a fatty liver condition and general liver damage. This arises from the lack of VLDL, which is necessary to transport fats away from the liver. Choline deficiency also leads to elevated serum levels of alanine amino transferase and is associated with increased incidence of liver cancer. Nutritional supplement. Occurs free and combined in many animal and vegetable foods with highest concentrations found in egg yolk, meat, fish, milk, cereaks and legumes Choline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=62-49-7 (retrieved 2024-06-29) (CAS RN: 62-49-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Styrene
Styrene, also known as vinylbenzene or phenylethylene, belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. The metabolites of styrene are excreted mainly in the urine. Styrene is possibly neutral. Styrene is a sweet, balsamic, and floral tasting compound. Styrene has been detected, but not quantified, in several different foods, such as coffee and coffee products, fruits, cocoa and cocoa products, alcoholic beverages, and chinese cinnamons. This could make styrene a potential biomarker for the consumption of these foods. A minor pathway of styrene metabolism involves the formation of phenylacetaldehyde from styrene 7,8-oxide or cytochrome P450 conversion of styrene to pheylethanol and subsequent metabolism to phenylacetic acid. Styrene is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Styrene oxide is predominantly metabolized by epoxide hydrolase to form styrene glycol; the styrene glycol is subsequently converted to mandelic acid, phenylglyoxylic acid, and hippuric acid. Styrene, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease and ulcerative colitis; styrene has also been linked to the inborn metabolic disorder celiac disease. Styrene may be absorbed following ingestion, inhalation, or dermal exposure. Breathing high levels of styrene may cause nervous system effects such as changes in color vision, tiredness, feeling drunk, slowed reaction time, concentration problems, or balance problems. Chest burning, wheezing, and dyspnea may also occur. Styrene causes nervous system depression and may be carcinogenic. Present in cranberry, bilberry, currants, grapes, vinegar, parsley, milk and dairy products, whisky, cocoa, coffee, tea, roasted filberts and peanuts. Flavouring ingredient. Polymers are used in ion-exchange resins in food processing. Indirect food additive arising from adhesives, oatings and packaging materials
3-aminoalanine
A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. KEIO_ID D037
Isopentyl mercaptan
Isopentyl mercaptan is found in alcoholic beverages. Isopentyl mercaptan is found in beer. Isopentyl mercaptan is a flavouring agent. Found in beer. Flavouring agent
3-Methyl-2-butanethiol
3-Methyl-2-butanethiol is found in animal foods. 3-Methyl-2-butanethiol is a flavour enhancer for meat products. 3-Methyl-2-butanethiol is present in cooked beef. 3-Methyl-2-butanethiol is formed from thermal degradation of 4-Hydroxy-2,5-dimethyl-3(2H)-furanone
1-Pentanethiol
1-Pentanethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Methyl-1-butanethiol
(±)-2-Methyl-1-butanethiol is a flavouring ingredien Flavouring ingredient
(±)-2-Pentanethiol
(s)-2-pentanethiol 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 (s)-2-pentanethiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-pentanethiol can be found in fruits, which makes (s)-2-pentanethiol a potential biomarker for the consumption of this food product. (S)-2-Pentanethiol is found in fruits. (S)-2-Pentanethiol is a component of guava flavour (Psidium guajava).
Ethyl isopropyl sulfide
Ethyl isopropyl sulfide is a member of the class of compounds known as dialkylthioethers. Dialkylthioethers are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Ethyl isopropyl sulfide can be found in ginger, which makes ethyl isopropyl sulfide a potential biomarker for the consumption of this food product.
Choline
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents
3-Ethoxy-1-propanol
A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3.
Choline
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OEYIOHPDSNJKLS_STSL_0152_Choline_0125fmol_180430_S2_LC02_MS02_80; 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. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents IPB_RECORD: 922; CONFIDENCE confident structure D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents
L-2,3-Diaminopropionic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Choline
A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents
(2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLICACID
Benzocyclobutene
A carbobicyclic compound that is benzene fused to a cyclobutane ring.
Choline C-11
C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-Methylbutane-1,2-diol
A glycol in which the two hydroxy groups are located at positions 1 and 2 of isopentane.
N-methylputrescinium(2+)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cadaverine(2+)
An alkane-alpha,omega-diammonium(2+) ion that is the doubly-charged ammonium ion, arising from protonation of both nitrogens of cadaverine. The major species at pH 7.3.
3-amino-L-alanine zwitterion
The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-L-alanine; major species at pH 7.3.
3-aminoalanine zwitterion
An amino acid zwitterion of 3-aminoalanine where the 3-amino group is protonated.
3-amino-D-alanine zwitterion
The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-D-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-methylputrescinium(2+)
Dication of N-methylputrescine arising from protonation of both amino groups; major species at pH 7.3.
2-hydroxyputrescine
An alkane-alpha,omega-diamine that is putrescine substituted by a hydroxy group at position 2.
