Exact Mass: 84.053355334

Exact Mass Matches: 84.053355334

Found 104 metabolites which its exact mass value is equals to given mass value 84.053355334, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Amitrole

2,3-dihydro-1H-1,2,4-triazol-3-imine

C2H4N4 (84.0435944)


CONFIDENCE standard compound; INTERNAL_ID 8107 CONFIDENCE standard compound; INTERNAL_ID 2792 D004791 - Enzyme Inhibitors KEIO_ID A045

   

3-Methyl-2-butenal

β,β-Dimethylacrylic aldehyde

C5H8O (84.0575118)


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

3-Acetyl-6-methyl-pyran-2,4(3H)-dione

C5H8O (84.0575118)


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

   

2-Methyl-2-vinyloxirane

(3R)-3,4-epoxy-3-methylbut-1-ene

C5H8O (84.0575118)


   

1-Penten-3-one

1-Penten-3-one (ethyl vinyl ketone)

C5H8O (84.0575118)


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

3-Penten-2-one (methyl vinyl ketone)

C5H8O (84.0575118)


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

Crotonaldehyde, 2-methyl-, (e)- (8ci)

C5H8O (84.0575118)


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

C5H8O (84.0575118)


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

(2Z)-pent-2-enal

C5H8O (84.0575118)


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- butene-2- one (methyl isopropenyl ketone)

C5H8O (84.0575118)


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

   

4-Penten-2-one

Allyl methyl ketone

C5H8O (84.0575118)


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

Pent-4-enal

C5H8O (84.0575118)


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-Methyl-furan

C5H8O (84.0575118)


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.

   

Tetrahydrofuranylmethyl

Tetrahydrofuranylmethyl

C5H8O (84.0575118)


   

1H-1,2,3-Triazol-4-amine

1H-1,2,3-Triazol-4-amine

C2H4N4 (84.0435944)


   

4-Amino-1,2,4-triazole

4H-1,2,4-triazole, 4-amino-

C2H4N4 (84.0435944)


   

Cyanoguanidine

Guanidine-1-carbonitrile

C2H4N4 (84.0435944)


   

trans-2-pentenal

gamma-Methylcrotonaldehyde

C5H8O (84.0575118)


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

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

C5H8O (84.0575118)


   

Pent-3-enal

Pent-3-enal

C5H8O (84.0575118)


   

2-methylcyclobutan-1-one

2-methylcyclobutan-1-one

C5H8O (84.0575118)


   

4-pentyn-1-ol

4-pentyn-1-ol

C5H8O (84.0575118)


   

Methyl propenyl ketone

Methyl propenyl ketone

C5H8O (84.0575118)


An enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group.

   

CYCLOPENTANONE

CYCLOPENTANONE

C5H8O (84.0575118)


   

FEMA no. 3417

3-Penten-2-one (methyl vinyl ketone)

C5H8O (84.0575118)


   

Tiglaldehyde

Crotonaldehyde, 2-methyl-, (e)- (8ci)

C5H8O (84.0575118)


   

Methyl butenone

3- Methyl-3- butene-2- one (methyl isopropenyl ketone)

C5H8O (84.0575118)


   

2-Pentenal

(2Z)-pent-2-enal

C5H8O (84.0575118)


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.

   

Vinylacetone

Allyl methyl ketone

C5H8O (84.0575118)


   

Pentenone

1-Penten-3-one (ethyl vinyl ketone)

C5H8O (84.0575118)


   

4-Pentenal

Pent-4-enal

C5H8O (84.0575118)


   

3-Methyl-2,3-dihydrofuran

xi-2,3-Dihydro-3-methylfuran

C5H8O (84.0575118)


   

2,3-Dihydro-4-methylfuran

2,3-dihydro-4-Methyl-furan

C5H8O (84.0575118)


   

3E-pentene-2-one

3E-pentene-2-one

C5H8O (84.0575118)


   

4-Penten-2-one

PENT-4-EN-2-ONE

C5H8O (84.0575118)


A methyl ketone that is pent-1-ene substituted by an oxo group at position 4.

   

1-Penten-3-one

1-Penten-3-one

C5H8O (84.0575118)


An enone that is pent-1-ene substituted by an oxo group at position 3.

   

Cyclopentene oxide

Cyclopentene oxide

C5H8O (84.0575118)


   

2-Pentyn-1-ol

2-Pentyn-1-ol

C5H8O (84.0575118)


   

1-Cyclopenten-4-ol

1-Cyclopenten-4-ol

C5H8O (84.0575118)


   

DIMETHYL SULFOXIDE-D6

DIMETHYL SULFOXIDE-D6

C2D6OS (84.051597668)


   

(S)-N-TERT-BUTYL-3-(4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL)-2-PHENYLPROPANAMIDEDIHYDROCHLORIDE

(S)-N-TERT-BUTYL-3-(4-(2-METHOXYPHENYL)-PIPERAZIN-1-YL)-2-PHENYLPROPANAMIDEDIHYDROCHLORIDE

C5H8O (84.0575118)


   

2-cyclopropyloxirane

2-cyclopropyloxirane

C5H8O (84.0575118)


   

3-pentyn-2-ol

3-pentyn-2-ol

C5H8O (84.0575118)


   

4-Pentyn-2-ol

4-Pentyn-2-ol

C5H8O (84.0575118)


   

3-Pentyn-1-ol

3-Pentyn-1-ol

C5H8O (84.0575118)


   

2-chloropropane-1,1,1,3,3,3-d6

2-chloropropane-1,1,1,3,3,3-d6

C3HClD6 (84.061288268)


   

5-METHYL-1H-TETRAZOLE

5-METHYL-1H-TETRAZOLE

C2H4N4 (84.0435944)


   

ethyl-2,2,2-d3-amine hcl

ethyl-2,2,2-d3-amine hcl

C2H5ClD3N (84.053355334)


   

1,1,1-trideuterio-N-methylmethanamine,hydrochloride

1,1,1-trideuterio-N-methylmethanamine,hydrochloride

C2H5ClD3N (84.053355334)


   

2-cyclopropylacetaldehyde

2-cyclopropylacetaldehyde

C5H8O (84.0575118)


   

1,4-Pentadien-3-ol

1,4-Pentadien-3-ol

C5H8O (84.0575118)


   

allyl vinyl ether

allyl vinyl ether

C5H8O (84.0575118)


   

2-Ethacrolein

2-Ethacrolein

C5H8O (84.0575118)


   

2,3,5,6-tetradeuteriopyrazine

2,3,5,6-tetradeuteriopyrazine

C4D4N2 (84.062555112)


   

Cyclobutanecarbaldehyde

Cyclobutanecarbaldehyde

C5H8O (84.0575118)


   

2-Cyclopentenol

2-Cyclopentenol

C5H8O (84.0575118)


   

3,6-dihydro-2H-pyran

3,6-dihydro-2H-pyran

C5H8O (84.0575118)


   

Phenyllithium

Phenyllithium

C6H5Li (84.055128)


   

1,3-Butadiene,1-methoxy-

1,3-Butadiene,1-methoxy-

C5H8O (84.0575118)


   

2-methyl-2H-tetrazole

2-methyl-2H-tetrazole

C2H4N4 (84.0435944)


   

1-pentyn-5-ol

1-pentyn-5-ol

C5H8O (84.0575118)


   

(S)-4-METHYL-2,5-OXAZOLIDINEDIONE

(S)-4-METHYL-2,5-OXAZOLIDINEDIONE

C5H8O (84.0575118)


   

1-Amino-1,2,4-triazole

1-Amino-1,2,4-triazole

C2H4N4 (84.0435944)


   

3,4-epoxy-2-methyl-1-butene

3,4-epoxy-2-methyl-1-butene

C5H8O (84.0575118)


   

1-Pentyn-3-ol

1-Pentyn-3-ol

C5H8O (84.0575118)


   

3,4-Dihydro-2H-pyran

3,4-Dihydro-2H-pyran

C5H8O (84.0575118)


   

5-Methyl-2,3-dihydrofuran

5-Methyl-2,3-dihydrofuran

C5H8O (84.0575118)


   

N-Methyltetrazole

N-Methyltetrazole

C2H4N4 (84.0435944)


   

3-Methyl butynol

2-Methyl-3-butyn-2-OL

C5H8O (84.0575118)


   

Cyclopropyl methyl ketone

Cyclopropyl methyl ketone

C5H8O (84.0575118)


   

3-Pentenal

3-Pentenal

C5H8O (84.0575118)


   

3-Methylcyclobutanone

3-Methylcyclobutanone

C5H8O (84.0575118)


   

UNII:O364AQJ1K5

UNII:O364AQJ1K5

C5H8O (84.0575118)


   

(2-Methylenecyclopropyl)methanol

(2-Methylenecyclopropyl)methanol

C5H8O (84.0575118)


   

(Z)-2-Pentenal

(Z)-2-Pentenal

C5H8O (84.0575118)


   

2-Methylenetetrahydrofuran

2-Methylenetetrahydrofuran

C5H8O (84.0575118)


   

Amitrole

3-amino-1,2,4-triazole

C2H4N4 (84.0435944)


D004791 - Enzyme Inhibitors

   

Prenal

InChI=1\C5H8O\c1-5(2)3-4-6\h3-4H,1-2H

C5H8O (84.0575118)


   

WLN: 2V1U1

4-01-00-03457 (Beilstein Handbook Reference)

C5H8O (84.0575118)


   

814-78-8

Methyl isopropenyl ketone, inhibited [UN1246] [Flammable liquid]

C5H8O (84.0575118)


   

Pentenal

gamma-Methylcrotonaldehyde

C5H8O (84.0575118)


   

34314-83-5

Furan, 2,3-dihydro-4-methyl-

C5H8O (84.0575118)


   

1487-15-6

Furan, 2,3-dihydro-5-methyl-

C5H8O (84.0575118)


   

(S)-3-methyl-2,3-dihydrofuran

(S)-3-methyl-2,3-dihydrofuran

C5H8O (84.0575118)


   

Cyclopentanone-2,2,5,5-d4

Cyclopentanone-2,2,5,5-d4

C5H8O (84.0575118)


   

3-Methyl-2-butenal

3-Methyl-2-butenal

C5H8O (84.0575118)


   

(3R)-3,4-epoxy-3-methylbut-1-ene

(3R)-3,4-epoxy-3-methylbut-1-ene

C5H8O (84.0575118)


   

pent-2-enal

pent-2-enal

C5H8O (84.0575118)


   

(E)-2-Pentenal

(E)-2-Pentenal

C5H8O (84.0575118)


A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.

   

Ethyl vinyl ketone

Ethyl vinyl ketone

C5H8O (84.0575118)


   

(3E)-Pent-3-en-2-one

(3E)-Pent-3-en-2-one

C5H8O (84.0575118)


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.

   

Cyanoguanidine

Cyanoguanidine

C2H4N4 (84.0435944)


   

Methyl isopropenyl ketone

Methyl isopropenyl ketone

C5H8O (84.0575118)


   

trans-Tiglaldehyde

trans-Tiglaldehyde

C5H8O (84.0575118)


   

4-Methyl-2,3-dihydrofuran

4-Methyl-2,3-dihydrofuran

C5H8O (84.0575118)


   

3-Methylbut-2-enal

3-Methylbut-2-enal

C5H8O (84.0575118)


An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.

   

Methylbutenal

Methylbutenal

C5H8O (84.0575118)


   

1-methoxy-1,2-butadiene

NA

C5H8O (84.0575118)


{"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

NA

C5H8O (84.0575118)


{"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

NA

C5H8O (84.0575118)


{"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"}

   

penta-2,3-dien-1-ol

penta-2,3-dien-1-ol

C5H8O (84.0575118)


   

2-butenal, 2-methyl-

2-butenal, 2-methyl-

C5H8O (84.0575118)


   

crotylaldehyde

crotylaldehyde

C5H8O (84.0575118)


   

(2e)-2-pentenal

(2e)-2-pentenal

C5H8O (84.0575118)