Exact Mass: 126.9971
Exact Mass Matches: 126.9971
Found 269 metabolites which its exact mass value is equals to given mass value 126.9971,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Chloroaniline
CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3539; ORIGINAL_PRECURSOR_SCAN_NO 3535 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3527 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3546; ORIGINAL_PRECURSOR_SCAN_NO 3542 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3544; ORIGINAL_PRECURSOR_SCAN_NO 3541 CONFIDENCE standard compound; INTERNAL_ID 4138 CONFIDENCE standard compound; INTERNAL_ID 8258 CONFIDENCE standard compound; INTERNAL_ID 8115
1-Methyl-4-nitroimidazole
1-Methyl-4-nitroimidazole is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
Thiiranebutanenitrile
Thiiranebutanenitrile is found in brassicas. Thiiranebutanenitrile is a hydrolysis produced from seeds of Brassica campestri
5-Isothiocyanato-1-pentene
Mustard oil from rape (Brassica napus), brown mustard (Brassica juncea) and other crucifers. Formed from 4-Pentenyl glucosinolate
2-Acetylthiazole
2-Acetylthiazole is found in alcoholic beverages. 2-Acetylthiazole is an important flavour component; antioxidant. 2-Acetylthiazole is present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize. 2-Acetylthiazole is an important flavouring component; antioxidant. Present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize.
2-Ethyl-4-methylthiazole
Organoleptic, occurring mainly in coffee aroma, also cooked uncured pork and fennel. Flavouring agent. 2-Ethyl-4-methylthiazole is found in coffee and coffee products, animal foods, and green vegetables. 2-Ethyl-4-methylthiazole is found in animal foods. Organoleptic, occurring mainly in coffee aroma, also cooked uncured pork and fennel. 2-Ethyl-4-methylthiazole is a flavouring agent
4-Ethyl-2-methylthiazole
Organoleptic, present mainly in coffee aroma and cooked meat. 4-Ethyl-2-methylthiazole is found in coffee and coffee products and animal foods. 4-Ethyl-2-methylthiazole is found in animal foods. Organoleptic, present mainly in coffee aroma and cooked mea
5-Ethyl-4-methylthiazole
5-Ethyl-4-methylthiazole is found in coffee and coffee products. Organoleptic, occurring in coffee arom
Trimethylthiazole
Trimethylthiazole, also known as fema 3325, belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. Trimethylthiazole is a chocolate, cocoa, and coffee tasting compound. Trimethylthiazole is found, on average, in the highest concentration within kohlrabis. Trimethylthiazole has also been detected, but not quantified, in several different foods, such as coffee and coffee products, mung beans, potato, soy beans, and tea. This could make trimethylthiazole a potential biomarker for the consumption of these foods. Present in coffee, cooked meats and cooked potatoes. Flavouring ingredient. Trimethylthiazole is found in many foods, some of which are tea, animal foods, kohlrabi, and coffee and coffee products.
Hydroxyminaline
Hydroxyminaline is a component of the molecule pectase found in Penicillium and Aspergillu Component of the molecule pectase found in Penicillium and Aspergillus
Nitrosylsulfuric acid
Nitrosylsulfuric acid is used for bleaching cereal milling products This salt is a source of the NO+ ion, It can also be viewed as the mixed acid anhydride of sulfuric acid and nitrous acid It is used for bleaching cereal milling products
4-Ethyl-5-methylthiazole
Volatile component of coffee and cooked pork. 4-Ethyl-5-methylthiazole is found in coffee and coffee products and animal foods. 4-Ethyl-5-methylthiazole is found in animal foods. 4-Ethyl-5-methylthiazole is a volatile component of coffee and cooked pork.
5-Ethyl-2-methylthiazole
Volatile component of coffee aroma, fried chicken, cooked pork and yeast extract. 5-Ethyl-2-methylthiazole is found in mushrooms, coffee and coffee products, and animal foods. 5-Ethyl-2-methylthiazole is found in animal foods. 5-Ethyl-2-methylthiazole is a volatile component of coffee aroma, fried chicken, cooked pork and yeast extract.
Crotonyl isothiocyanate
Crotonyl isothiocyanate is a member of the class of compounds known as isothiocyanate acids. Isothiocyanate acids are acidic derivatives of isothiocyanates with the general formula RC(=O)N=C=S. Crotonyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Crotonyl isothiocyanate can be found in chinese mustard, which makes crotonyl isothiocyanate a potential biomarker for the consumption of this food product.
furaneol (keto form)
Furaneol (keto form), also known as 2,5-dimethyl-4-hydroxy-3(2h)-furanone or hdmf, is a member of the class of compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Furaneol (keto form) is soluble (in water) and a very weakly acidic compound (based on its pKa). Furaneol (keto form) can be found in a number of food items such as globe artichoke, nuts, quinoa, and purslane, which makes furaneol (keto form) a potential biomarker for the consumption of these food products.
1,2,4-Triazole-1-acetic acid
CONFIDENCE standard compound; UCHEM_ID 4206
(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)METHANAMINE
5-Methyl-2H-1,2,3-triazole-4-carboxylic acid (SALTDATA: FREE)
Pyrithione
C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)
6-Azathymine
A nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen.
Penem
An organic heterobicyclic compound that consists of (5R)-4-thia-1-azabicyclo[3.2.0]hept-2-ene bearing a 7-keto substituent. The parent of the class of penems. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Dihydrophloroglucinol(1-)
An organic anion that is the conjugate base of dihydrophloroglucinol, obtained by deprotonation of the enolic hydroxy group; major species at pH 7.3.
4-Hydroxy-2,5-dimethylfuran-3-olate
An organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3.
