Exact Mass: 84.0395
Exact Mass Matches: 84.0395
Found 195 metabolites which its exact mass value is equals to given mass value 84.0395,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Methyl-2-butenal
3-Methyl-2-butenal, also known as senecialdehyde or 3,3-dimethylacrolein, belongs to the class of organic compounds known as enals. These are alpha,beta-unsaturated aldehydes of the general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. 3-methyl-2-butenal has been detected, but not quantified, in several different foods, such as common oregano, beechnuts, oval-leaf huckleberries, tea leaf willows, and red rice. This could make 3-methyl-2-butenal a potential biomarker for the consumption of these foods. 3-Methyl-2-butenal is a derivative of acrolein that is an alpha, beta-unsaturated carbonyl metabolite. It can be formed endogenously during lipid peroxidation or after oxidative stress, and is considered to play an important role in human carcinogenesis. The endogenously formed acroleins are a constant source of DNA damage, can lead to mutation, and can also induce tumours in humans (PMID:8319634). 3-Methyl-2-butenal, which is an unsaturated aldehyde bearing substitution at the alkene terminus, is a poor inactivator of the enzymes protein tyrosine phosphatases (PTPs). The inactivation of PTPs can yield profound biological consequences arising from the disruption of cellular signalling pathways (PMID:17655273). Present in blackberry, grape brandy, cocoa, currants, baked potato, tea, costmary and white bread. Flavouring ingredient
Cyclopentanone
Cyclopentanone belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Cyclopentanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, cyclopentanone is considered to be an oxygenated hydrocarbon lipid molecule. Cyclopentanone is a cyclic ketone, structurally similar to cyclopentane, consisting of a five-membered ring containing a ketone functional group. Cyclopentanone is a colorless liquid organic compound with a peppermint-like odor. Cyclopentanone is found in various foods, including potato and tomato, and cooked foods, e.g. butter, meats, coffee, roasted peanut. Cyclopentanone is also used as a flavouring ingredient. Found in various foods, including potato and tomato, and cooked foods, e.g. butter, meats, coffee, roasted peanut. Flavouring ingredient
1-Methylpyrrolinium
This compound belongs to the family of Pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
Imidazolone
Imidazolone is one of the major advanced glycation end (AGE) products, that accumulate in neurons in different areas of human brain tissue localized especially in human pyramidal CA4 neurons in the hippocampus in an age-dependent manner.(PubMed ID 12406185 ) [HMDB] Imidazolone is one of the major advanced glycation end (AGE) products that accumulate in neurons in different areas of human brain tissue localized especially in human pyramidal CA4 neurons in the hippocampus in an age-dependent manner (PMID: 12406185).
4-Hydroxy-2-butenoic acid gamma-lactone
4-Hydroxy-2-butenoic acid gamma-lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants 2(5H)-Furanone is an endogenous metabolite.
Furanone A
Furanone a, also known as alpha-Crotonolactone or 2-Furanone, is classified as a member of the butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. Furanone a is considered to be a soluble (in water) and an extremely weak acidic compound. Furanone a can be found in feces. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
1-Penten-3-one
1-Penten-3-one, also known as ethylvinyl ketone or pentenone, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Thus, 1-penten-3-one is considered to be an oxygenated hydrocarbon lipid molecule. It exists as a clear, colorless oil with a boiling point of 68-70 oC. 1-Penten-3-one is a very hydrophobic molecule, practically insoluble in water, but soluble in most organic solvents. 1-Penten-3-one has a spicy, pungent, peppery odor that is also described as being mustard-like, garlic-like or onion-like, This compound also has a peppery, garlic-like, allium-like, mustard-like or onion-like taste. 1-Penten-3-one has been found in the volatile components of human feces (PMID: 21386183) and saliva (PMID: 24421258). Outside of the human body, 1-Penten-3-one has been detected, but not quantified in, several different foods, such as banana fruit, beef, butter, chives, clams, fish, grapes, grapefruit juice, kiwi fruit, milk, oranges, peaches, potatoes, soybeans, strawberries, black tea and tomatoes. Present in banana, orange peel oil, grapefruit juice, wine grape, peach, fish oil, chicken fat, black tea, soybean, lovage leaf, endive, oyster, clam and cooked beef. 1-Penten-3-one is found in many foods, some of which are asian pear, mango, peppermint, and hard wheat.
Methyl propenyl ketone
Methyl propenyl ketone, also known as (3E)-3-penten-2-one or 2-oxo-3-pentene, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Thus, methyl propenyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Methyl propenyl ketone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Methyl propenyl ketone, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease and ulcerative colitis. Methyl propenyl ketone has also been linked to the inborn metabolic disorder celiac disease. Methyl propenyl ketone is occasionally found as a volatile component of normal human biofluids. It is found as a volatile in the hawthorn fruit upon ripening, and also is part of the scent components of the urine of some animals. Methyl propenyl ketone is a volatile organic compound.
Tiglic aldehyde
Tiglic aldehyde is found in animal foods. Tiglic aldehyde is isolated from chives (Allium schoenoprasum). Also present in onion, tomato, cheeses, Scotch, spearmint oil, tangerine peel oil, cooked chicken and other foods. Tiglic aldehyde is a flavour ingredient trans-2-Methyl-2-butenal is an organic compound with the formula CH3CH=C(CH3)CHO. This colorless liquid is a building block in organic synthesis. It is an , -unsaturated aldehyde related to the better known crotonaldehyde Isolated from chives (Allium schoenoprasum)and is also present in onion, tomato, cheeses, Scotch, spearmint oil, tangerine peel oil, cooked chicken and other foods. Flavour ingredient
xi-2,3-Dihydro-3-methylfuran
xi-2,3-Dihydro-3-methylfuran is found in root vegetables. xi-2,3-Dihydro-3-methylfuran is a constituent of licorice root (Glycyrrhiza glabra). Constituent of licorice root (Glycyrrhiza glabra). xi-2,3-Dihydro-3-methylfuran is found in root vegetables.
2-Pentenal
2-Pentenal is found in cereals and cereal products. 2-Pentenal is found in peas, cooked potato, French fries, wheat bread, cavier, black tea, fish oils, raspberries, strawberries and other foods. 2-Pentenal is a flavouring ingredien Found in peas, cooked potato, French fries, wheat bread, cavier, black tea, fish oils, raspberries, strawberries and other foods. Flavouring ingredient
3-Methyl-3-buten-2-one
3-Methyl-3-buten-2-one is listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported us Listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported use
Thiophene
Thiophene is a maillard product. At room temperature, thiophene is a colorless liquid with a mildly pleasant odor reminiscent of benzene, with which thiophene shares some similarities. The high reactivity of thiophene toward sulfonation is the basis for the separation of thiophene from benzene, which are difficult to separate by distillation due to their similar boiling points (4 °C difference at ambient pressure). Like benzene, thiophene forms an azeotrope with water. Not only is thiophene reactive toward electrophiles, it is also readily lithiated with butyl lithium to give 2-lithiothiophene, which is a precursor to a variety of derivatives, including dithienyl Maillard product
4-Penten-2-one
4-Penten-2-one is found in fruits. 4-Penten-2-one is a constituent of Tamarindus indica (tamarind) Constituent of Tamarindus indica (tamarind). 4-Penten-2-one is found in fruits and tamarind.
4-Pentenal
4-Pentenal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2,3-Dihydro-4-methylfuran
2,3-Dihydro-4-methylfuran is found in animal foods. 2,3-Dihydro-4-methylfuran is a constituent of volatiles from cooked ham and beef and of oil from licorice roots (Glycyrrhiza glabra). Constituent of volatiles from cooked ham and beef and of oil from licorice roots (Glycyrrhiza glabra). 2,3-Dihydro-4-methylfuran is found in animal foods and root vegetables.
2-(Dimethylamino)acetonitrile
2-(Dimethylamino)acetonitrile belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
trans-2-pentenal
Trans-2-pentenal, also known as 3-ethyl-2-propenal or 3-ethylacrolein, is a member of the class of compounds known as enals. Enals are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. Trans-2-pentenal is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-2-pentenal can be found in a number of food items such as fruits, swiss chard, giant butterbur, and pear, which makes trans-2-pentenal a potential biomarker for the consumption of these food products.
1,1-dimethyl-propargyl alcohol|1,1-dimethylpropargyl alcohol|1,1-dimethylpropargylic alcohol|2-methyl-but-3-yn-2-ol|3-hydroxy-3-methylbut-1-yne|alpha,alpha-dimethylpropargyl alcohol|ethynyldimethylcarbinol
Methyl propenyl ketone
An enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group.
2-Pentenal
2-pentenal is a member of the class of compounds known as enals. Enals are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. 2-pentenal is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-pentenal is an apple, green, and orange tasting compound and can be found in a number of food items such as potato, cereals and cereal products, fishes, and pulses, which makes 2-pentenal a potential biomarker for the consumption of these food products.
4-Penten-2-one
A methyl ketone that is pent-1-ene substituted by an oxo group at position 4.
1-Penten-3-one
An enone that is pent-1-ene substituted by an oxo group at position 3.
(S)-N-TERT-BUTYL-3-(4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL)-2-PHENYLPROPANAMIDEDIHYDROCHLORIDE
1,1,1-trideuterio-N-methylmethanamine,hydrochloride
2(5H)-Furanone
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants 2(5H)-Furanone is an endogenous metabolite.
2(3H)-Furanone
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
1-Methylpyrrolinium
An organic cation that is 1-pyrroline bearing an N-methyl substituent.
(E)-2-Pentenal
A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.
(3E)-Pent-3-en-2-one
A methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea.
3-Methylbut-2-enal
An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.
1-methoxy-1,2-butadiene
{"Ingredient_id": "HBIN002691","Ingredient_name": "1-methoxy-1,2-butadiene","Alias": "NA","Ingredient_formula": "C5H8O","Ingredient_Smile": "CC=C=COC","Ingredient_weight": "84.12 g/mol","OB_score": "52.76549297","CAS_id": "NA","SymMap_id": "SMIT07671","TCMID_id": "NA","TCMSP_id": "MOL005990","TCM_ID_id": "NA","PubChem_id": "57109763","DrugBank_id": "NA"}
2-pentyn-1-ol
{"Ingredient_id": "HBIN006305","Ingredient_name": "2-pentyn-1-ol","Alias": "NA","Ingredient_formula": "C5H8O","Ingredient_Smile": "CCC#CCO","Ingredient_weight": "84.12 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35247","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "80421","DrugBank_id": "NA"}
3-Penten-2-one
{"Ingredient_id": "HBIN009448","Ingredient_name": "3-Penten-2-one","Alias": "NA","Ingredient_formula": "C5H8O","Ingredient_Smile": "CC=CC(=O)C","Ingredient_weight": "84.12 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5356572","DrugBank_id": "NA"}
