Exact Mass: 96.076677734

Exact Mass Matches: 96.076677734

Found 175 metabolites which its exact mass value is equals to given mass value 96.076677734, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(E,E)-2,4-Hexadienal

(2Z,4E)-hexa-2,4-dienal

C6H8O (96.0575118)


(E,E)-2,4-Hexadienal is found in fishes. (E,E)-2,4-Hexadienal is a flavouring ingredient. (E,E)-2,4-Hexadienal is present in olives, roasted peanuts, tomato, caviar, fish, and te (E,E)-2,4-Hexadienal is a flavouring ingredient. It is found in olives, roasted peanuts, tomato, caviar, fish, and tea.

   

2-Cyclohexen-1-one

2-Cyclohexen-1-one, 18O-labeled

C6H8O (96.0575118)


Flavouring compound [Flavornet]

   

Fluorobenzene

Phenyl fluoride

C6H5F (96.0375262)


   

2-Ethylfuran

alpha-Ethyl-furan

C6H8O (96.0575118)


2-Ethylfuran, also known as alpha-ethylfuran or 2-ethyloxole, is a member of the class of furans that is furan in which the hydrogen atom at position 2 has been replaced by an ethyl group. It has a role as a plant metabolite, a fragrance, a Maillard reaction product and a bacterial metabolite. It is a member of furans and a volatile organic compound. It derives from a furan. 2-ethylfuran belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-Ethylfuran is a sweet, burnt, and earthy tasting compound. 2-Ethylfuran is found, on average, in the highest concentration within kohlrabis. 2-Ethylfuran has also been detected, but not quantified, in several different foods such as cauliflowers, corns, cereals and cereal products, sweet bay, and sweet basils. Constituent of numerous plant subspecies and cooked foods e.g. chicken, beef, pork liver, coffee, tea, roasted filbert, soybean, rice, oats etc. Flavouring ingredient. 2-Ethylfuran is found in many foods, some of which are roselle, tea, kohlrabi, and sweet basil.

   

2-Methyl-2-cyclopenten-1-one

N-(2-(2-Hydroxyethoxy)ethyl)-2-propenamide

C6H8O (96.0575118)


2-Methyl-2-cyclopenten-1-one is found in cereals and cereal products. 2-Methyl-2-cyclopenten-1-one is present in bread arom

   

2,5-Dimethylfuran

2,5-Dimethyl-furan

C6H8O (96.0575118)


2,5-Dimethylfuran is a derivative of furan. It is a heterocyclic compound of the formula C6H8O. While it may be abbreviated DMF, it should not be confused with dimethylformamide. 2,5-Dimethylfuran is a maillard product. 2,5-Dimethylfuran has been identified as one of the components of cigar smoke with low cilatoxicity (ability to adversely affect the cilia in the respiratory tract that are responsible for removing foreign particles). Its blood concentration can be used as a biomarker for smoking. 2,5-Dimethylfuran, together with 2,5-hexanedione and 4,5-dihydroxy-2-hexanone, is one of the main metabolites of hexane in humans, which play a role in the mechanism for the neurotoxicity of hexane.Recent advances have increased its attractiveness as a biofuel. Maillard product

   

3-Ethylfuran

3-Ethyl-furan

C6H8O (96.0575118)


3-Ethylfuran is found in coffee and coffee products. 3-Ethylfuran is a constituent of carob (Ceratonia siliqua) and coffee. Constituent of carob (Ceratonia siliqua) and coffee. 3-Ethylfuran is found in coffee and coffee products and pulses.

   

3-Methyl-2-cyclopenten-1-one

2-cyclopenten-1-one, 3-methyl-

C6H8O (96.0575118)


Flavouring ingredient. 3-Methyl-2-cyclopenten-1-one is found in many foods, some of which are red bell pepper, pepper (c. annuum), orange bell pepper, and green bell pepper. 3-Methyl-2-cyclopenten-1-one is found in pepper (c. annuum). 3-Methyl-2-cyclopenten-1-one is a flavouring ingredien 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite. 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite.

   

2,4-Dimethylfuran

2,4-Dimethyl-furan

C6H8O (96.0575118)


2,4-Dimethylfuran is found in onion-family vegetables. 2,4-Dimethylfuran is found in garlic and leek oil. 2,4-Dimethylfuran is a flavouring ingredient. Found in garlic and leek oil. Flavouring ingredient

   

1,2-Dimethylimidazole

1H-imidazole, 1,2-dimethyl-

C5H8N2 (96.06874479999999)


   

2-Hydroxypyrazine

1,2-Dihydropyrazin-2-one

C4H4N2O (96.0323614)


   

2,3-Dimethylfuran

23-Dimethyl-furan

C6H8O (96.0575118)


   

3,5-Dimethylpyrazole

3,5-Dimethylpyrazole, sodium salt

C5H8N2 (96.06874479999999)


   

3(2H)-Pyridazinone

3(2H)-Pyridazinone

C4H4N2O (96.0323614)


   

5-Hydroxypyrimidine

5-hydroxypyrimidine

C4H4N2O (96.0323614)


   

Methylenecyclohexane

methylidenecyclohexane

C7H12 (96.09389519999999)


   

pyrimidin-2-ol

1,2-dihydropyrimidin-2-one

C4H4N2O (96.0323614)


   

pyrimidin-4-ol

3,4-dihydropyrimidin-4-one

C4H4N2O (96.0323614)


   

Pyrrolidine-2-carbonitrile

Pyrrolidine-2-carbonitrile

C5H8N2 (96.06874479999999)


   

Hexa-trans-2-cis-4-dien-1-al

Hexa-trans-2-cis-4-dien-1-al

C6H8O (96.0575118)


Hexa-trans-2-cis-4-dien-1-al is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Hexa-trans-2-cis-4-dien-1-al is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hexa-trans-2-cis-4-dien-1-al can be found in tea, which makes hexa-trans-2-cis-4-dien-1-al a potential biomarker for the consumption of this food product.

   
   
   
   

Norcarane

bicyclo[4.1.0]heptane

C7H12 (96.09389519999999)


   
   
   

1,2-Dimethylcyclopentene

1,2-Dimethylcyclopentene

C7H12 (96.09389519999999)


   

4-METHYLCYCLOHEXENE

Cyclohexene, 4-methyl-

C7H12 (96.09389519999999)


   

1,4-Dimethyl-1H-imidazole

1,4-Dimethyl-1H-imidazole

C5H8N2 (96.06874479999999)


   

2-Pyrazinol

2-Hydroxypyrazine

C4H4N2O (96.0323614)


   

dimethyl 1h pyrazol

1,3-Dimethyl-1H-pyrazole #

C5H8N2 (96.06874479999999)


1,3-Dimethylpyrazole is a bioactive compound isolated from Moso Bamboo Root[1]. 1,3-Dimethylpyrazole is a bioactive compound isolated from Moso Bamboo Root[1].

   

4,5-hexadienal

4,5-hexadienal

C6H8O (96.0575118)


   

Aaee-ethanol

N-(2-(2-Hydroxyethoxy)ethyl)-2-propenamide

C6H8O (96.0575118)


   

FEMA 3435

1-Methyl-1-cyclopenten-3-one

C6H8O (96.0575118)


3-Methyl-2-cyclopenten-1-one is an endogenous metabolite. 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite.

   

2,4-dimethylfuran

2,4-Dimethyl-furan

C6H8O (96.0575118)


A member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups.

   

2,5-DIMETHYLFURAN

2,5-Dimethyl-furan

C6H8O (96.0575118)


A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.

   

FEMA 3429

(2Z,4E)-hexa-2,4-dienal

C6H8O (96.0575118)


   

Hartshorn

Carbonic acid ammonium salt

CH8N2O3 (96.05348980000001)


   

2-Ethyloxole

alpha-Ethyl-furan

C6H8O (96.0575118)


   

3-Ethylfuran

3-Ethyl-furan

C6H8O (96.0575118)


   

FAL 6:2

Sorbic aldehyde

C6H8O (96.0575118)


   

3-ethynyloxolane

3-ethynyloxolane

C6H8O (96.0575118)


   
   

pyrimidone

2-Hydroxypyrimidine

C4H4N2O (96.0323614)


   
   

3-(2H3)Methylpyridine

3-(2H3)Methylpyridine

C6H4D3N (96.076677734)


   
   

3-ethynyl-3-methyloxetane

3-ethynyl-3-methyloxetane

C6H8O (96.0575118)


   

PYRIDAZIN-4(1H)-ONE

PYRIDAZIN-4(1H)-ONE

C4H4N2O (96.0323614)


   

1-Methylcyclohexene

1-Methyl-1-cyclohexene

C7H12 (96.09389519999999)


   

1-HEXYN-5-ONE

1-HEXYN-5-ONE

C6H8O (96.0575118)


   

4,5-Dimethyl-1H-imidazole

4,5-Dimethyl-1H-imidazole

C5H8N2 (96.06874479999999)


   

3-Hexyn-2-one

3-Hexyn-2-one

C6H8O (96.0575118)


   

3,4-Dimethylfuran

3,4-Dimethylfuran

C6H8O (96.0575118)


   

1-METHYL-1H-PYRROL-3-AMINE

1-METHYL-1H-PYRROL-3-AMINE

C5H8N2 (96.06874479999999)


   

1-ethynylcyclobutan-1-ol

1-ethynylcyclobutan-1-ol

C6H8O (96.0575118)


   

Cyclopentane,ethylidene-

Cyclopentane,ethylidene-

C7H12 (96.09389519999999)


   

3-Methyl-1-penten-4-yn-3-ol

3-Methyl-1-penten-4-yn-3-ol

C6H8O (96.0575118)


   

pyrrolidine-3-carbonitrile

pyrrolidine-3-carbonitrile

C5H8N2 (96.06874479999999)


   

ethylenediamine hydrochloride

ethylenediamine hydrochloride

C2H9ClN2 (96.0454224)


   
   

n,n-dimethylacetamide-d9

n,n-dimethylacetamide-d9

C4D9NO (96.124905002)


   

1H-Pyrazole-3-carbaldehyde

1H-Pyrazole-3-carbaldehyde

C4H4N2O (96.0323614)


   

hex-5-en-2-yn-1-ol

hex-5-en-2-yn-1-ol

C6H8O (96.0575118)


   

2-Methylenecyclopentanone

2-Methylenecyclopentanone

C6H8O (96.0575118)


   

3-METHYL-5-PYRAZOLONE

3-METHYL-5-PYRAZOLONE

C4H4N2O (96.0323614)


   
   
   

7-Oxabicyclo[4.1.0]hept-2-ene

7-Oxabicyclo[4.1.0]hept-2-ene

C6H8O (96.0575118)


   

1-(Aminomethyl)cyclopropanecarbonitrile

1-(Aminomethyl)cyclopropanecarbonitrile

C5H8N2 (96.06874479999999)


   

5-hydroxypyrimidine

5-hydroxypyrimidine

C4H4N2O (96.0323614)


   

2,2-Difluoro-1-propanol

2,2-Difluoro-1-propanol

C3H6F2O (96.038669)


   

1,5-dimethylcyclopentene

1,5-dimethylcyclopentene

C7H12 (96.09389519999999)


   
   
   
   

1,1-DIMETHYLHYDRAZINE HYDROCHLORIDE

1,1-DIMETHYLHYDRAZINE HYDROCHLORIDE

C2H9ClN2 (96.0454224)


   

1H-Imidazole-1-carbaldehyde

1H-Imidazole-1-carbaldehyde

C4H4N2O (96.0323614)


   

4-Pyrimidinol

4-Hydroxypyrimidine

C4H4N2O (96.0323614)


   

4-Pyridazinol

4-Pyridazinol

C4H4N2O (96.0323614)


   

2,4-Dimethyl-1,3-pentadiene

2,4-Dimethyl-1,3-pentadiene

C7H12 (96.09389519999999)


   

1,3-difluoro-2-propanol

1,3-difluoro-2-propanol

C3H6F2O (96.038669)


   
   
   
   
   

(Z)-3-Methylpent-2-en-4-yn-1-ol

(Z)-3-Methylpent-2-en-4-yn-1-ol

C6H8O (96.0575118)


   

1-Cyanopyrrolidine

Pyrrolidine-1-carbonitrile

C5H8N2 (96.06874479999999)


   
   

2,3-dimethylfuran

2,3-dimethylfuran

C6H8O (96.0575118)


   

Pyrrolidine-2-carbonitrile

Pyrrolidine-2-carbonitrile

C5H8N2 (96.06874479999999)


   
   
   

(E)-3-Methylpent-2-en-4-yn-1-ol

(E)-3-Methylpent-2-en-4-yn-1-ol

C6H8O (96.0575118)


   
   
   
   

2-Propenenitrile,3-(dimethylamino)-

2-Propenenitrile,3-(dimethylamino)-

C5H8N2 (96.06874479999999)


   

lithium lactate

lithium lactate

C3H5LiO3 (96.039873)


   
   
   

3,4-Dimethylpyrazole

3,4-Dimethyl-1H-pyrazole

C5H8N2 (96.06874479999999)


   
   

1,5-Hexadiene,2-methyl-

1,5-Hexadiene,2-methyl-

C7H12 (96.09389519999999)


   

3-Methylcyclohexene

Cyclohexene, 3-methyl-

C7H12 (96.09389519999999)


   

(2H5)Ethyl (2H3)acetate

(2H5)Ethyl (2H3)acetate

C4D8O2 (96.102644224)


   

(2H8)-1,4-Dioxane

(2H8)-1,4-Dioxane

C4D8O2 (96.102644224)


   

2-Aminoethylammonium chloride

2-Aminoethylammonium chloride

C2H9ClN2 (96.0454224)


   

1-Cyclopentene-1-carbaldehyde

1-Cyclopentene-1-carbaldehyde

C6H8O (96.0575118)


   
   
   

2-But-3-ynyl-oxirane

2-But-3-ynyl-oxirane

C6H8O (96.0575118)


   

3,5-dideuteriophenol

3,5-dideuteriophenol

C6H4D2O (96.054416956)


   

1,4-Dimethylimidazole

1H-Imidazole,1,4-dimethyl-

C5H8N2 (96.06874479999999)


   
   

3-Methyl-2-penten-4-yn-1-ol

3-Methyl-2-penten-4-yn-1-ol

C6H8O (96.0575118)


   
   
   
   

ethane-1,2-diamine,dihydrochloride

ethane-1,2-diamine,dihydrochloride

C2H9ClN2 (96.0454224)


   
   

5-Amino-2-hydroxypyridine

5-Amino-2-hydroxypyridine

C5H8N2 (96.06874479999999)


   

1H-Imidazole-4-carbaldehyde

1H-Imidazole-4-carbaldehyde

C4H4N2O (96.0323614)


   

1,5-Hexadiene,3-methyl-

1,5-Hexadiene,3-methyl-

C7H12 (96.09389519999999)


   

1H-Pyrazole-4-carbaldehyde

1H-Pyrazole-4-carbaldehyde

C4H4N2O (96.0323614)


   

Pyrazine N-oxide

Pyrazine N-oxide

C4H4N2O (96.0323614)


   
   

2-Acetlimidazole

2-Acetlimidazole

C4H4N2O (96.0323614)


   

Pyridazine N-oxide

Pyridazine N-oxide

C4H4N2O (96.0323614)


   

Lithium trimethylsilanolate

Lithium trimethylsilanolate

C3H9LiOSi (96.0582694)


   
   

2,3-DIMETHYL-1,4-PENTADIENE

2,3-DIMETHYL-1,4-PENTADIENE

C7H12 (96.09389519999999)


   
   

3-Dimethylaminoacrylonitrile

3-Dimethylaminoacrylonitrile

C5H8N2 (96.06874479999999)


   

2,2,3,3,4,5,5,6,6-nonadeuteriomorpholine

2,2,3,3,4,5,5,6,6-nonadeuteriomorpholine

C4D9NO (96.124905002)


   

PYRIMIDINE 1-OXIDE

PYRIMIDINE 1-OXIDE

C4H4N2O (96.0323614)


   

2-Pyrrolidinecarbonitrile

2-Pyrrolidinecarbonitrile

C5H8N2 (96.06874479999999)


   

Ethylhydrazine hydrochloride (1:1)

Ethylhydrazine hydrochloride (1:1)

C2H9ClN2 (96.0454224)


   

1-(1H-Pyrrol-2-yl)methanamine

1-(1H-Pyrrol-2-yl)methanamine

C5H8N2 (96.06874479999999)


   

Lithium 2-hydroxypropanoate

Lithium 2-hydroxypropanoate

C3H5LiO3 (96.039873)


   
   

Methylenecyclohexane

Cyclohexane, methylene-

C7H12 (96.09389519999999)


   

2,3-DIMETHYL-1,3-PENTADIENE

2,3-DIMETHYL-1,3-PENTADIENE

C7H12 (96.09389519999999)


   

1-Aminocyclobutanecarbonitrile

1-Aminocyclobutanecarbonitrile

C5H8N2 (96.06874479999999)


   

2,4-Hexadienal, (2E,4Z)-

2,4-Hexadienal, (2E,4Z)-

C6H8O (96.0575118)


   

Cyclohex-3-en-1-one

Cyclohex-3-en-1-one

C6H8O (96.0575118)


   

1-(2-Methylenecyclopropyl)ethanone

1-(2-Methylenecyclopropyl)ethanone

C6H8O (96.0575118)


   

1,3-Dimethylimidazol-2-ylidene

1,3-Dimethylimidazol-2-ylidene

C5H8N2 (96.06874479999999)


   

4-methyl-2H-pyran

4-methyl-2H-pyran

C6H8O (96.0575118)


   

ETHYL FURAN

InChI=1\C6H8O\c1-2-6-4-3-5-7-6\h3-5H,2H2,1H

C6H8O (96.0575118)


   

3710-43-8

Furan, 2,4-dimethyl-

C6H8O (96.0575118)


   

AI3-21212

InChI=1\C6H8O\c1-5-3-4-6(2)7-5\h3-4H,1-2H

C6H8O (96.0575118)


   

AI3-52478

InChI=1\C7H12\c1-7-5-3-2-4-6-7\h5H,2-4,6H2,1H

C7H12 (96.09389519999999)


   

cyclohexenone

4-07-00-00124 (Beilstein Handbook Reference)

C6H8O (96.0575118)


   

694-48-4

1H-Pyrazole, 1,3-dimethyl-

C5H8N2 (96.06874479999999)


1,3-Dimethylpyrazole is a bioactive compound isolated from Moso Bamboo Root[1]. 1,3-Dimethylpyrazole is a bioactive compound isolated from Moso Bamboo Root[1].

   

2758-18-1

InChI=1\C6H8O\c1-5-2-3-6(7)4-5\h4H,2-3H2,1H

C6H8O (96.0575118)


3-Methyl-2-cyclopenten-1-one is an endogenous metabolite. 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite.

   

2,3-Dimethylfuran

23-Dimethyl-furan

C6H8O (96.0575118)


Dimethyl furan is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Dimethyl furan is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dimethyl furan can be found in garden onion, which makes dimethyl furan a potential biomarker for the consumption of this food product.

   

2,4-Hexadienal

2,4-Hexadienal

C6H8O (96.0575118)


(e,e)-2,4-hexadienal, also known as fema 3429, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms (e,e)-2,4-hexadienal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (e,e)-2,4-hexadienal can be found in a number of food items such as fishes, tea, nuts, and fruits, which makes (e,e)-2,4-hexadienal a potential biomarker for the consumption of these food products.

   

Pyridine N-oxide perchlorate

Pyridine N-oxide perchlorate

C5H6NO+ (96.0449366)


   
   

FLUOROBENZENE

FLUOROBENZENE

C6H5F (96.0375262)


   

2-Ethylfuran

2-Ethylfuran

C6H8O (96.0575118)


A member of the class of furans that is furan in which the hydrogen atom at position 2 has been replaced by an ethyl group.

   

3-METHYL-2-CYCLOPENTEN-1-ONE

3-METHYL-2-CYCLOPENTEN-1-ONE

C6H8O (96.0575118)


3-Methyl-2-cyclopenten-1-one is an endogenous metabolite. 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite.

   
   

2-methylcyclopentenone

2-METHYL-2-CYCLOPENTEN-1-ONE

C6H8O (96.0575118)


   

alanine-d7

alanine-d7

C3D7NO2 (96.091616446)


A deuterated compound that is is an isotopologue of alanine in which all seven hydrogen atoms have been replaced by deuterium.

   

(E,E)-2,4-hexadienal

(E,E)-2,4-hexadienal

C6H8O (96.0575118)


A hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices.

   

Dimethylfuran

Dimethylfuran

C6H8O (96.0575118)


   

2,4-hexadiene, 2-methyl-

2,4-hexadiene, 2-methyl-

C7H12 (96.09389519999999)


   

1,4-heptadiene

NA

C7H12 (96.09389519999999)


{"Ingredient_id": "HBIN001460","Ingredient_name": "1,4-heptadiene","Alias": "NA","Ingredient_formula": "C7H12","Ingredient_Smile": "CCC=CCC=C","Ingredient_weight": "96.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41633","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5367564","DrugBank_id": "NA"}

   
   

2,4-dimethyl-3h-imidazole

2,4-dimethyl-3h-imidazole

C5H8N2 (96.06874479999999)