Exact Mass: 96.009
Exact Mass Matches: 96.009
Found 145 metabolites which its exact mass value is equals to given mass value 96.009,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mesylate
Mesylate, also known as methanesulfonate or mesylic acid, belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Mesylate exists as a solid, soluble (in water), and an extremely strong acidic compound (based on its pKa). Mesylate is also a parent compound for other transformation products, including but not limited to, methanesulfonates, S-methyl methanethiosulfonate, and (Z)-11-methyl-N-(methylsulfonyl)dodec-2-enamide. KEIO_ID M135 KEIO_ID M021
(E,E)-2,4-Hexadienal
(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-Furancarboxaldehyde
2-furancarboxaldehyde, also known as furaldehyde or 2-formylfuran, is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-furancarboxaldehyde is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-furancarboxaldehyde is a sweet, almond, and baked tasting compound and can be found in a number of food items such as coriander, cocoa bean, red raspberry, and rice, which makes 2-furancarboxaldehyde a potential biomarker for the consumption of these food products. 2-furancarboxaldehyde can be found primarily in feces and urine. 2-furancarboxaldehyde exists in all eukaryotes, ranging from yeast to humans. 2-Furancarboxaldehyde, also known as 2-furaldehyde or a-furole, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-Furancarboxaldehyde is found in allspice and it is also a flavour ingredient. 2-Furancarboxaldehyde is present in coffee, calamus, matsutake mushroom (Tricholoma matsutake), pumpkin, malt, peated malt, Bourbon vanilla, Lambs lettuce, pimento leaf and various fruits, e.g. apple, apricot, sweet cherry, morello cherry, orange, grapefruit, Chinese quince and a common constituent of essential oils. Furfural is an organic compound derived from a variety of agricultural byproducts, including corncobs, oat, wheat bran, and sawdust.
Protoanemonin
Protoanemonin (sometimes called anemonol or ranunculol) is a toxin found in all plants of the buttercup family (Ranunculaceae). On maceration, for example when the plant is wounded, it is produced by an enzymatic process from the glucoside ranunculin. It is the lactone of 4-hydroxy-2,4-pentadienoic acid. A wounded plant releases the substance, causing itch, rashes or blistering on contact with the skin or mucosa. (Wikipedia)
2-Ethylfuran
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
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-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-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
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-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
Hexa-trans-2-cis-4-dien-1-al
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.
Sodium propionate
Antimicrobial agent used in cheese and other foods
2,4-dimethylfuran
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
A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.
sodium glyoxylate
An organic sodium salt that is the monosodium salt of glyoxylic acid.
3-Furaldehyde
An aldehyde that is furan substituted by a formyl group at position 3. 3-Furaldehyde is a member of furans and an aldehyde, and can be used to synthesize the neoclerodane diterpene Salvinorin A[1][2]. 3-Furaldehyde is a member of furans and an aldehyde, and can be used to synthesize the neoclerodane diterpene Salvinorin A[1][2].
Sodium propionate
S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives
498-60-2
3-Furaldehyde is a member of furans and an aldehyde, and can be used to synthesize the neoclerodane diterpene Salvinorin A[1][2]. 3-Furaldehyde is a member of furans and an aldehyde, and can be used to synthesize the neoclerodane diterpene Salvinorin A[1][2].
2,3-Dimethylfuran
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
(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.
2-Furaldehyde
An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.
Methanesulfonate
An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl.
2-Ethylfuran
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 is an endogenous metabolite. 3-Methyl-2-cyclopenten-1-one is an endogenous metabolite.
hydrogenphosphate
A phosphate ion that is the conjugate base of dihydrogenphosphate.
(E,E)-2,4-hexadienal
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.
anemonol
{"Ingredient_id": "HBIN016069","Ingredient_name": "anemonol","Alias": "NA","Ingredient_formula": "C5H4O2","Ingredient_Smile": "C=C1C=CC(=O)O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14294","TCMID_id": "1179","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
