Exact Mass: 169.08695060000002
Exact Mass Matches: 169.08695060000002
Found 202 metabolites which its exact mass value is equals to given mass value 169.08695060000002,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1-Methylhistidine
1-Methylhistidine, also known as 1-MHis or 1MH, belongs to the class of organic compounds known as histidine and derivatives. 1MH is also classified as a methylamino acid. Methylamino acids are primarily proteogenic amino acids (found in proteins) which have been methylated (in situ) on their side chains by various methyltransferase enzymes. Histidine can be methylated at either the N1 or N3 position of its imidazole ring, yielding the isomers 1-methylhistidine (1MH; also referred to as pi-methylhistidine) or 3-methylhistidine (3MH; tau-methylhistidine), respectively. There is considerable confusion with regard to the nomenclature of the methylated nitrogen atoms on the imidazole ring of histidine and other histidine-containing peptides such as anserine. In particular, older literature (mostly prior to the year 2000) designated anserine (Npi methylated) as beta-alanyl-N1-methyl-histidine, whereas according to standard IUPAC nomenclature, anserine is correctly named as beta-alanyl-N3-methyl-histidine. As a result, many papers published prior to the year 2000 incorrectly identified 1MH as a specific marker for dietary consumption or various pathophysiological effects when they really were referring to 3MH (PMID: 24137022). Recent discoveries have shown that 1MH is produced in essentially all mammals (and other vertebrates) via the enzyme known as METTL9 (PMID: 33563959). METTL9 is a broad-specificity methyltransferase that mediates the formation of the majority of 1MH present in mammalian proteomes. METTL9-catalyzed methylation requires a His-x-His (HxH) motif, where "x" is a small amino acid. This HxH motif is found in a number of abundant mammalian proteins such as ARMC6, S100A9, and NDUFB3 (PMID: 33563959). Because of its abundance in many muscle-related proteins, 1MH has been found to be a good biomarker for the consumption of meat (PMID: 21527577). Dietary studies have shown that poultry consumption (p-trend = 0.0006) and chicken consumption (p-trend = 0.0003) are associated with increased levels of 1MH in human plasma (PMID: 30018457). The consumption of fish, especially salmon and cod, has also been shown to increase the levels of 1MH in serum and urine (PMID: 31401679). As a general rule, urinary 1MH is associated with white meat intake (p< 0.001), whereas urinary 3MH is associated with red meat intake (p< 0.001) (PMID: 34091671). 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
Diphenylamine
Diphenylamine is found in coriander. Diphenylamine is used for control of superficial scald in stored apples Diphenylamine is the organic compound with the formula (C6H5)2NH. It is a colourless solid, but samples are often yellow due to oxidized impurities. It is a weak base, with a KB of 10 14. With strong acids, it forms the water soluble salt CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9465; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9425; ORIGINAL_PRECURSOR_SCAN_NO 9420 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9472; ORIGINAL_PRECURSOR_SCAN_NO 9471 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9455; ORIGINAL_PRECURSOR_SCAN_NO 9451 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9493; ORIGINAL_PRECURSOR_SCAN_NO 9490 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9495; ORIGINAL_PRECURSOR_SCAN_NO 9492 It is used for control of superficial scald in stored apples CONFIDENCE standard compound; EAWAG_UCHEM_ID 3092 CONFIDENCE standard compound; INTERNAL_ID 8086 KEIO_ID D044
4-Aminobiphenyl
4-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen and so it has been largely replaced by less toxic compounds. It is similar to benzidine. [HMDB] 4-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen and so it has been largely replaced by less toxic compounds. It is similar to benzidine. D009676 - Noxae > D002273 - Carcinogens
3-Methylhistidine
3-Methylhistidine, also known as 3-MHis or 3MH, belongs to the class of organic compounds known as histidine and derivatives. 3MH is also classified as a methylamino acid. Methylamino acids are primarily proteogenic amino acids (found in proteins) which have been methylated (in situ) on their side chains by various methyltransferase enzymes. 3-Methylhistidine is also classified as a member of the class of compounds known as L-alpha-amino acids. L-alpha-Amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. 3-Methylhistidine is generated from histidine residues found in proteins. Histidine can be methylated at either the N1 or N3 position of its imidazole ring, yielding the isomers 1-methylhistidine (1MH; also referred to as pi-methylhistidine) or 3-methylhistidine (3MH; tau-methylhistidine), respectively. There is considerable confusion with regard to the nomenclature of the methylated nitrogen atoms on the imidazole ring of histidine and other histidine-containing peptides such as anserine. In particular, older literature (mostly prior to the year 2000) designated anserine (Npi methylated) as beta-alanyl-N1-methyl-histidine, whereas according to standard IUPAC nomenclature, anserine is correctly named as beta-alanyl-N3-methyl-histidine. As a result, many papers published prior to the year 2000 incorrectly identified 1MH as a specific marker for dietary consumption or various pathophysiological effects when they really were referring to 3MH (PMID: 24137022). Histidine methylation on the 3- or tau site is mediated by the enzyme known as METTL18. METTL18 is a nuclear methyltransferase protein that contains a functional nuclear localization signal and accumulates in nucleoli. Urinary concentrations of 3-methylhistidine can be used as a biomarker for skeletal muscle protein breakdown in humans who have been subject to muscle injury (PMID: 16079625). 3-methylhistidine is formed by the posttranslational methylation of histidine residues of the main myofibrillar proteins actin and myosin. During protein catabolism, 3-methylhistidine is released but cannot be reutilized. Therefore, the plasma concentration and urine excretion of 3-methylhistidine are sensitive markers of myofibrillar protein degradation (PMID: 32235743). Approximately 75\\\% of 3-methylhistidine is estimated to originate from skeletal muscle (PMID: 32235743). In addition to the degradation of muscle proteins, the 3-methylhistidine level is affected by the degradation of intestinal proteins and meat intake. 3-Methylhistidine exists in all eukaryotes, ranging from yeast to humans. In humans, 3-methylhistidine is involved in methylhistidine metabolism. 3-Methylhistidine has been found to be associated with several diseases such as diabetes mellitus type 2, eosinophilic esophagitis, and kidney disease. The normal concentration of 3-methylhistidine in the urine of healthy adult humans has been detected and quantified in a range of 3.63–69.27 micromoles per millimole (umol/mmol) of creatinine, with most studies reporting the average urinary concentration between 15–20 umol/mmol of creatinine. The average concentration of 3-methylhistidine in human blood plasma has been detected and quantified at 2.85 micromolar (uM) with a range of 0.0–5.9 uM. As a general rule, urinary 1MH is associated with white meat intake (p< 0.001), whereas urinary 3MH is associated with red meat intake (p< 0.001) (PMID: 34091671). 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
5-Ethyl-4-methyl-2-(1-methylethyl)thiazole
5-Ethyl-4-methyl-2-(1-methylethyl)thiazole is found in animal foods. 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole is a volatile flavour component of boiled potatoes and cooked beef. Volatile flavour component of boiled potatoes and cooked beef. 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole is found in animal foods and potato.
4-Butyl-5-ethylthiazole
Bell-pepper aroma; claimed food uses not well documented. Bell-pepper aroma; claimed food uses not well documented
5-Butyl-4-ethylthiazole
Bell-pepper aroma; claimed food uses not well documented. Bell-pepper aroma; claimed food uses not well documented
4-Butyl-2,5-dimethylthiazole
4-Butyl-2,5-dimethylthiazole is found in animal foods. 4-Butyl-2,5-dimethylthiazole is a volatile flavour component of fried chicken, roast peanuts and baked potato. Volatile flavour component of fried chicken, roast peanuts and baked potato. 4-Butyl-2,5-dimethylthiazole is found in animal foods, nuts, and potato.
4-Ethyl-2-methyl-5-propylthiazole
4-Ethyl-2-methyl-5-propylthiazole is found in animal foods. 4-Ethyl-2-methyl-5-propylthiazole is a volatile flavour component of roasted peanuts and roast beef. Volatile flavour component of roasted peanuts and roast beef. 4-Ethyl-2-methyl-5-propylthiazole is found in animal foods and nuts.
5-Ethyl-2-methyl-4-propylthiazole
5-Ethyl-2-methyl-4-propylthiazole is found in animal foods. 5-Ethyl-2-methyl-4-propylthiazole is a volatile flavour component of roast beef. Volatile flavour component of roast beef. 5-Ethyl-2-methyl-4-propylthiazole is found in animal foods.
4-Ethyl-5-methyl-2-propylthiazole
4-ethyl-5-methyl-2-propylthiazole is found in animal foods. 4-ethyl-5-methyl-2-propylthiazole is a volatile flavour component of roast beef. Volatile flavour component of roast beef. 4-ethyl-5-methyl-2-propylthiazole is found in animal foods.
5-Ethyl-4-methyl-2-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
4-Ethyl-5-methyl-2-(1-methylethyl)thiazole
4-Ethyl-5-methyl-2-(1-methylethyl)thiazole is found in animal foods. 4-Ethyl-5-methyl-2-(1-methylethyl)thiazole is a volatile component of fried chicken, roast peanut and yeast extract. Volatile component of fried chicken, roast peanut and yeast extract. 4-Ethyl-5-methyl-2-(1-methylethyl)thiazole is found in mushrooms, animal foods, and nuts.
2,5-Dipropylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
5-Methyl-2-pentylthiazole
5-Methyl-2-pentylthiazole is found in animal foods. 5-Methyl-2-pentylthiazole is a volatile flavour component of roast beef. Volatile flavour component of roast beef. 5-Methyl-2-pentylthiazole is found in animal foods.
4-Methyl-2-pentylthiazole
4-Methyl-2-pentylthiazole is classified as a Natural Food Constituent (code WA) in the DFC. Classified as a Natural Food Constituent (code WA) in the DFC
2,4-Dipropylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
2-(1-Methylethyl)-4-propylthiazole
2-(1-Methylethyl)-4-propylthiazole is found in nuts. 2-(1-Methylethyl)-4-propylthiazole is a component of roast peanut flavour. Component of roast peanut flavour. 2-(1-Methylethyl)-4-propylthiazole is found in nuts.
Ipronidazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Methyl-5-phenylpyridine
2-methyl-5-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 2-methyl-5-phenylpyridine can be found in sweet orange, which makes 2-methyl-5-phenylpyridine a potential biomarker for the consumption of this food product.
2-butyl-4-hydroxy-5-methyl-3(2H)-furanone
2-butyl-4-hydroxy-5-methyl-3(2h)-furanone is also known as bhmf or 2,5-bis(hydroxymethyl)furan. 2-butyl-4-hydroxy-5-methyl-3(2h)-furanone is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-butyl-4-hydroxy-5-methyl-3(2h)-furanone can be found in a number of food items such as common pea, rye, other bread, and fruits, which makes 2-butyl-4-hydroxy-5-methyl-3(2h)-furanone a potential biomarker for the consumption of these food products.
L-3-Methylhistidine
3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
3-Methylhistidine
A methylhistidine in which the methyl group is located at N-3. 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
IPRONIDAZOLE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Atrazine-desethyl-2-hydroxy
A diamino-1,3,5-triazine that is N-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide atrazine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 277 CONFIDENCE standard compound; INTERNAL_ID 2023
alpha-METHYL-DL-HISTIDINE
Acquisition and generation of the data is financially supported in part by CREST/JST.
D-3-Methylhistidine
KEIO_ID M077 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
1-Methyl-L-histidine
1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
3-Methyl-L-histidine
A L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring. 3-Methylhistidine is a product of peptide bond synthesis and methylation of actin and myosin. The measurement of 3-Methylhistidine provides an index of the rate of muscle protein breakdown. [HMDB]. 3-Methylhistidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products. 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
1-Methylhistidine
A methylhistidine in which the methyl group is located at N-1. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
alpha-Methylhistidine
A non-proteinogenic alpha-amino acid that is histidine in which the methyl group is located at the Calpha-position.
1H-Imidazole-4-carboxylicacid,5-[(dimethylamino)methyl]-(9CI)
Ethanaminium, 2-hydroxy-N- (2-hydroxyethyl)-N,N-dimethyl-, chloride
C6H16ClNO2 (169.08695060000002)
1H-Imidazole-4-carboxylicacid,5-(2-aminoethyl)-,methylester(9CI)
1H-Imidazole-4-carboxylicacid,2-(aminomethyl)-1,5-dimethyl-(9CI)
5-(2-aminoethyl)-6-hydroxy-1-methylpyrimidin-2(1H)-one
5-(4-morpholinyl)-1H-1,2,4-triazol-3-amine(SALTDATA: FREE)
1H-Imidazole-5-carboxylic acid,4-(2-aminoethyl)-2-methyl-
Methyl (3aR,6aS)-3a,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-6a(3H) -carboxylate
1-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine(SALTDATA: FREE)
1H-PYRAZOLE-4-CARBOXYLICACID, 3-AMINO-5-METHYL-, ETHYL ESTER
[R-(R*,S*)]-alpha-(1-Aminoethyl)-4-fluorobenzenemethanol
5-AMINO-1-METHYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-6-(methylamino)-
Histidine methyl ester
An alpha-amino acid ester that is the methyl ester of histidine.
2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
Xenylamin
D009676 - Noxae > D002273 - Carcinogens
L-1-Methylhistidine
Protein metabolite; formed mainly by methylation of histidine residues in muscle actin and myosin. Urinary excretion levels used as an index of muscle protein breakdown. 1-Methylhistidine is a biomarker for the consumption of meat, especially red meat. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
(2S)-3-(1H-imidazol-4-yl)-2-(methylazaniumyl)propanoate
2-azaniumyl-3-(1-methyl-1H-imidazol-4-yl)propanoate
2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate
N(tele)-methyl-L-histidine
A L-histidine derivative in which the methyl group is at N(tele)-position.
alpha-methyl-L-histidine
An alpha-methylhistidine that has L-configuration.
3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid
3-methylhistidine zwitterion
An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-methylhistidine; major species at pH 7.3.
N(alpha)-methyl-L-histidine zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(alpha)-methyl-L-histidine.
1-methylhistidine zwitterion
An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 1-methylhistidine; major species at pH 7.3.
N(alpha)-methyl-L-histidine
A N(alpha)-methyl-L-histidines that is L-histidine bearing a single methyl substituent at the N(alpha)-position.