Exact Mass: 114.9956
Exact Mass Matches: 114.9956
Found 114 metabolites which its exact mass value is equals to given mass value 114.9956,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Maleamic acid
A dicarboxylic acid monoamide of maleamic acid. (Z)-4-Amino-4-oxobut-2-enoic acid is an endogenous metabolite.
Isobutyl isothiocyanate
Isobutyl isothiocyanate is found in soft-necked garlic. Isobutyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive . Isobutyl isothiocyanate is found in soft-necked garlic.
1-Isothiocyanatobutane
1-Isothiocyanatobutane is found in brassicas. 1-Isothiocyanatobutane is a volatile constituent of cabbage and other crucifers arising from enzymic hydrolysis of Butyl glucosinolate
xi-2,5-Dihydro-2,4-dimethylthiazole
xi-2,5-Dihydro-2,4-dimethylthiazole is found in animal foods. xi-2,5-Dihydro-2,4-dimethylthiazole is a volatile component of roasted peanuts and fried chicken. Volatile component of roasted peanuts and fried chicken. xi-2,5-Dihydro-2,4-dimethylthiazole is found in animal foods and nuts.
2-Methyl-4-isothiazolin-3-one
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents D004202 - Disinfectants
Methylisothiazolone
D000890 - Anti-Infective Agents D004202 - Disinfectants
D-2-Butylisothiocyanate
D-2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. D-2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-2-butylisothiocyanate can be found in horseradish, which makes D-2-butylisothiocyanate a potential biomarker for the consumption of this food product.
4-(Methylthio)-butanonitrile
4-(methylthio)-butanonitrile is a member of the class of compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 4-(methylthio)-butanonitrile can be found in kohlrabi, which makes 4-(methylthio)-butanonitrile a potential biomarker for the consumption of this food product.
2-Butylisothiocyanate
2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. 2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-butylisothiocyanate is a green tasting compound and can be found in a number of food items such as white cabbage, broccoli, brussel sprouts, and cabbage, which makes 2-butylisothiocyanate a potential biomarker for the consumption of these food products.
2-Methyl-4-isothiazolin-3-one
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents D004202 - Disinfectants CONFIDENCE standard compound; INTERNAL_ID 1228; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2003; ORIGINAL_PRECURSOR_SCAN_NO 2001 CONFIDENCE standard compound; INTERNAL_ID 1228; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2004; ORIGINAL_PRECURSOR_SCAN_NO 2002 CONFIDENCE standard compound; INTERNAL_ID 1228; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2017; ORIGINAL_PRECURSOR_SCAN_NO 2015 CONFIDENCE standard compound; INTERNAL_ID 1228; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2008; ORIGINAL_PRECURSOR_SCAN_NO 2006 CONFIDENCE standard compound; INTERNAL_ID 1228; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2018; ORIGINAL_PRECURSOR_SCAN_NO 2017 CONFIDENCE standard compound; INTERNAL_ID 1228; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2015; ORIGINAL_PRECURSOR_SCAN_NO 2014
4-(methylthio)butanenitrile|4-(methylthio)butanonitrile|4-(methylthio)butylnitrile|4-(methylthio)butyronitrile|4-methylsulfanyl-butyronitrile|4-methylthiobutanenitrile|4-methylthiobutyronitrile
2-Methylpropylthiocyanat|iso-butyl-thiocyanate|isobutyl thiocyanate|Isobutylrhodanid|Isobutylthiocyanat|thiocyanic acid, 2-methylpropyl ester|Thiocyansaeure-isobutylester
4-Oxopentanoate
A member of the class of oxopentanoates that is the conjugate base of 4-oxopentanoic acid.
Ammonium dihydrogenphosphate
It is used in food as a source of acidity, pH control agent, buffering agent, leavening agent, dough strengthener and nutrient source; also used as a yeast nutrient in wine production and to start secondary fermentations in the production of sparkling wines
3-Methyl-2-oxobutanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
2-Oxopentanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxopentanoic acid, obtained by deprotonation of the carboxy group.
5-Oxopentanoate
A 5-oxo monocarboxylic acid anion that is the conjugate base of 5-oxopentanoic acid, arising from deprotonation of the carboxy group.
Hydrogen fumarate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ammonium dihydrogen phosphate
D000074385 - Food Ingredients > D005503 - Food Additives D016573 - Agrochemicals > D005308 - Fertilizers
fumarate(1-)
A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid.
