Exact Mass: 112.0888102
Exact Mass Matches: 112.0888102
Found 500 metabolites which its exact mass value is equals to given mass value 112.0888102,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1,2-Cyclohexanedione
1,2-Cyclohexanedione is a flavour material for foo 1,2-Cyclohexanedione is an endogenous metabolite.
trans-1,2-Dihydrobenzene-1,2-diol
Trans-1,2-Dihydrobenzene-1,2-diol is an intermediate in the metabolism of Prostaglandin and leukotriene. It is a substrate for Aldo-keto reductase family 1 member C3, Aldo-keto reductase family 1 member C4, Aldo-keto reductase family 1 member C2 and Aldo-keto reductase family 1 member C1. [HMDB] Trans-1,2-Dihydrobenzene-1,2-diol is an intermediate in the metabolism of Prostaglandin and leukotriene. It is a substrate for Aldo-keto reductase family 1 member C3, Aldo-keto reductase family 1 member C4, Aldo-keto reductase family 1 member C2 and Aldo-keto reductase family 1 member C1.
(2E,4E)-2,4-Hexadienoic acid
Sorbic acid appears as white powder or crystals. Melting point 134.5 °C. Slightly acidic and astringent taste with a faint odor. Sorbic acid is a hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. It is a hexadienoic acid, a polyunsaturated fatty acid, a medium-chain fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a sorbate. Sorbic acid is a natural product found in Prunus domestica and Schisandra chinensis with data available. (2E,4E)-2,4-Hexadienoic acid is a preservative for many foodstuffs. Generally used as K salt or (less frequently) as Ca salt. (2E,4E)-2,4-Hexadienoic acid is an antimicrobial agent against a wide variety of microorganisms, especially yeasts and moulds. (2E,4E)-2,4-Hexadienoic acid is a preservative action more efficient in acidic foods. Typical usage levels 500-2000 ppm(2E,4E)-2,4-Hexadienoic acid belongs to the family of Unsaturated Fatty Acids. These are fatty acids whose chain contains at least one CC double bond. Sorbic acid is a metabolite found in or produced by Saccharomyces cerevisiae. Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses. (2E,4E)-2,4-Hexadienoic acid is a preservative for many foodstuffs. Generally used as K salt or (less frequently) as Ca salt. (2E,4E)-2,4-Hexadienoic acid is an antimicrobial agent against a wide variety of microorganisms, especially yeasts and moulds. (2E,4E)-2,4-Hexadienoic acid is a preservative action more efficient in acidic foods. Typical usage levels 500-2000 pp Preservative for many foodstuffs. Generally used as K salt or (less frequently) as Ca salt. Antimicrobial agent against a wide variety of microorganisms, especies yeasts and moulds. Preservative action more efficient in acidic foods. Typical usage levels 500-2000 ppm. A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1]. Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1].
(2E)-2-Heptenal
(2E)-2-Heptenal, also known as 3-butylacrolein or 2-trans-heptenal, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. (2E)-2-Heptenal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (2E)-2-heptenal is considered to be a fatty aldehyde lipid molecule. Uremic toxins such as 2-Heptenal are actively transported into the kidneys via organic ion transporters (especially OAT3). (2E)-2-Heptenal is an almond, and fatty tasting compound. (2E)-2-Heptenal is found, on average, in the highest concentration within safflowers. (2E)-2-Heptenal has also been detected, but not quantified, in several different foods, such as roselles, common grapes, cucumbers, garden tomato, and evergreen blackberries. (2E)-2-Heptenal is a potentially toxic compound. Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. As a uremic toxin, this compound can cause uremic syndrome. Chronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. (2e)-2-heptenal, also known as 3-butylacrolein or alpha-heptenal, 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. Thus, (2e)-2-heptenal is considered to be a fatty aldehyde lipid molecule (2e)-2-heptenal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (2e)-2-heptenal is an almond, fat, and fatty tasting compound and can be found in a number of food items such as watermelon, safflower, oat, and common grape, which makes (2e)-2-heptenal a potential biomarker for the consumption of these food products (2e)-2-heptenal can be found primarily in blood and saliva (2e)-2-heptenal is a non-carcinogenic (not listed by IARC) potentially toxic compound. As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present (T3DB).
(Z)-2-Octene
(Z)-2-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
5,5-Dimethyl-2(5H)-furanone
Aroma component of hop extract, and of lavender, sagebrush, narcissus and salmon oils. 5,5-Dimethyl-2(5H)-furanone is found in fishes and herbs and spices. 5,5-Dimethyl-2(5H)-furanone is found in fishes. Aroma component of hop extract, and of lavender, sagebrush, narcissus and salmon oils.
(R)-3-Methylcyclohexanone
(R)-3-Methylcyclohexanone is found in fats and oils. (R)-3-Methylcyclohexanone is isolated from oil of Hedeoma pulegioides (American pennyroyal), Mentha species and other oils. Flavouring ingredient for candies etc
(E)-4-Hepten-2-one
(Z)-4-Hepten-2-one is found in fruits. (Z)-4-Hepten-2-one is a constituent of bananas. Constituent of bananas. (Z)-4-Hepten-2-one is found in fruits.
(Z)-4-Heptenal
(Z)-4-Heptenal is found in milk and milk products. (Z)-4-Heptenal is a flavouring agent. (Z)-4-Heptenal is used in cream and butter flavourings. (Z)-4-Heptenal is a component of butter. (Z)-4-Heptenal is widespread trace constituent of food flavour Flavouring agent. It is used in cream and butter flavourings. Component of butter. Widespread trace constituent of food flavours. (Z)-4-Heptenal is found in milk and milk products.
5-Methyl-3-hexen-2-one
(E)-5-Methyl-3-hexen-2-one is a flavouring ingredien It is used as a food additive .
1-Octene
1-Octene 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 .
xi-3,5-Dimethyl-2(5H)-furanone
xi-3,5-Dimethyl-2(5H)-furanone is found in animal foods. xi-3,5-Dimethyl-2(5H)-furanone is a flavour component of the edible miller mushroom (Coprinus comatus), cooked bacon and smoke condensates. Flavour component of the edible miller mushroom (Coprinus comatus), cooked bacon and smoke condensates. xi-3,5-Dimethyl-2(5H)-furanone is found in mushrooms and animal foods.
3-Hepten-2-one
3-Hepten-2-one is a flavouring ingredien Flavouring ingredient
4-Methylcyclohexanone
4-Methylcyclohexanone is a flavouring for baked goods and candie Flavouring for baked goods and candies
(E)-4-Oxo-2-hexen-1-al
(E)-4-Oxo-2-hexen-1-al is found in herbs and spices. (E)-4-Oxo-2-hexen-1-al is a constituent of soy sauce
3-Methyl-1,2-cyclopentanedione
3-Methyl-1,2-cyclopentanedione is found in cereals and cereal products. 3-Methyl-1,2-cyclopentanedione is a constituent of coffee aroma, roast barley and many other foods. 3-Methyl-1,2-cyclopentanedione is an important flavouring ingredient Constituent of coffee aroma, roast barley and many other foods. Important flavouring ingredient. 3-Methyl-1,2-cyclopentanedione is found in cereals and cereal products and coffee and coffee products.
2,5-Heptadien-1-ol
2,5-Heptadien-1-ol is found in green vegetables. 2,5-Heptadien-1-ol is a constituent of the flowers of Viola odorata (sweet violet). Constituent of the flowers of Viola odorata (sweet violet). 2,5-Heptadien-1-ol is found in tea and green vegetables.
Syoyualdehyde
Syoyualdehyde is found in pulses. Odoriferous constituent of soya. Odoriferous constituent of soya. Syoyualdehyde is found in pulses.
6-Methyl-1-heptene
6-methyl-1-heptene is classified as a member of the unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 6-methyl-1-heptene can be found in feces. ISOOCTENE is a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Vapors are lighter than air.
2-Hepten-4-one
2-Hepten-4-one is a flavouring ingredien Flavouring ingredient
2-Methylcyclohexanone
(±)-2-Methylcyclohexanone is a flavouring ingredien It is used as a food additive . 2-Methylcyclohexanone is an endogenous metabolite.
5-Methyl-5-hexen-2-one
5-Methyl-5-hexen-2-one is a flavouring ingredien Flavouring ingredient
2,5-Dimethyl-3(2H)-furanone
2,5-Dimethyl-3(2H)-furanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
trans-2-trans-4-Heptadien-1-ol
trans-2-trans-4-Heptadien-1-ol 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 .
2-(Methoxymethyl)furan
2-(Methoxymethyl)furan is found in coffee and coffee products. Aroma constituent of roasted coffee and roasted almonds. 2-(Methoxymethyl)furan is a flavouring agent Aroma constituent of roasted coffee and roasted almonds. Flavouring agent. 2-(Methoxymethyl)furan is found in coffee and coffee products and nuts.
xi-3-Methyl-3-cyclohexen-1-ol
xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices. xi-3-Methyl-3-cyclohexen-1-ol is a constituent of oil of Thymus vulgaris (thyme) Constituent of oil of Thymus vulgaris (thyme). xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices.
(E)-2-Octene
2-octene is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 2-octene can be found in mango, which makes 2-octene a potential biomarker for the consumption of this food product. 2-octene can be found primarily in feces and saliva. The simplest isomer is 1-octene, an alpha-olefin used primarily as a co-monomer in production of polyethylene via the solution polymerization process. Several useful structural isomers of the octenes are obtained by dimerization of isobutene and 1-butene. These branched alkenes are used to alkylate phenols to give precursors to detergents . (E)-2-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(Z)-3-Octene
(Z)-3-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(E)-3-Octene
(E)-3-Octene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
3-Methyleneheptane
3-Methyleneheptane belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
3-Methyl-1-heptene
3-Methyl-1-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
3-Methyl-3-heptene
3-Methyl-3-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
(E)-4-Methyl-2-heptene
(E)-4-Methyl-2-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
4-Methyl-3-heptene
4-Methyl-3-heptene belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
1,4-Diazabicyclo[2.2.2]octane
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
Parasorbic acid
Parasorbic acid, also known as parasorbate, is a member of the class of compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Parasorbic acid is soluble (in water) and an extremely weak acidic compound (based on its pKa). Parasorbic acid can be found in american cranberry and rowanberry, which makes parasorbic acid a potential biomarker for the consumption of these food products. Parasorbic acid is the cyclic lactone of sorbic acid. Thermal treatment or hydrolysis converts the lactone to sorbic acid .
2-Hexen-4-olide
2-Hexen-4-olide is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-hexen-4-olide is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hexen-4-olide is a spice tasting compound found in red raspberry, which makes 2-hexen-4-olide a potential biomarker for the consumption of this food product.
Methylfurfuryl alcohol
Methylfurfuryl alcohol, also known as 1-(2-furyl)ethanol, 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. Methylfurfuryl alcohol is soluble (in water) and a very weakly acidic compound (based on its pKa). Methylfurfuryl alcohol can be found in cloves, which makes methylfurfuryl alcohol a potential biomarker for the consumption of this food product.
2-Hydroxy-3-methyl-2-cyclopenten-1-one
2-hydroxy-3-methyl-2-cyclopenten-1-one, also known as cyclotene, is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. 2-hydroxy-3-methyl-2-cyclopenten-1-one is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxy-3-methyl-2-cyclopenten-1-one is a caramel, maple, and maple syrup tasting compound and can be found in a number of food items such as pepper (c. annuum), green bell pepper, red bell pepper, and yellow bell pepper, which makes 2-hydroxy-3-methyl-2-cyclopenten-1-one a potential biomarker for the consumption of these food products.
5,5-Dimethyl-2(5H)-furanone|Lactone-(E)-4-Hydroxy-4-methyl-2-pentenoic acid
ghl.PD_Mitscher_leg0.841
2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1]. 2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1].
5-Methylfurfuryl alcohol
5-Methylfurfuryl alcohol is a natural product found in Nicotiana tabacum with data available. 5-Methyl-2-furanmethanol is a natural product that can be isolated from the essential oil of D. rupicola Biv.. 5-Methyl-2-furanmethanol also acts as a oxidative product of 2,5 dimethylfuran (DMF) by cytochrome P450 (CYP)[1][2]. 5-Methyl-2-furanmethanol is a natural product that can be isolated from the essential oil of D. rupicola Biv.. 5-Methyl-2-furanmethanol also acts as a oxidative product of 2,5 dimethylfuran (DMF) by cytochrome P450 (CYP)[1][2].
Sorbic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1]. Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1].
2-heptenal
Isolated from soya bean oil (Glycine max). Flavouring constituent of many foods. 2-Heptenal is found in pulses.
1,4-Dimethylcyclohexane
A cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4.
1-hepten-3-one
An enone that is hept-1-ene substituted by an oxo group at position 3.
1-AZABICYCLO[2.2.2]OCTAN-3-AMINE,N-[(1S)-1-PHENYLETHYL]-
4,5-DIMETHYL-1-HEXENE
An alkene that is hex-1-ene substituted by methyl groups at positions 4 and 5 respectively.
O-(2-aminoethyl)hydroxylamine,hydrochloride
C2H9ClN2O (112.04033740000001)
4-Ethyl-1-hexene
An alkene that is 1-hexene substituted by an ethyl group at position 4.
(2Z,4E)-hexa-2,4-dienoic acid
One of four possible geometric isomers of sorbic acid, having cis- and trans-double bonds at positions 2 and 4 respectively.
(2E,4Z)-hexa-2,4-dienoic acid
One of four possible geometric isomers of sorbic acid, having trans- and cis-double bonds at positions 2 and 4 respectively.
(E)-2-((E)-But-2-en-1-ylidene)-1,1-dimethylhydrazine
765-69-5
2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1]. 2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1].
Histaminium
An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Pyrroline-2-carboxylate
The anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid.
3,4-Dihydro-2H-Pyrrole-2-carboxylate
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(R)-1-pyrroline-5-carboxylate
A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (R)-1-pyrroline-5-carboxylic acid.
(E)-2-methylidenepent-3-enoic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives
hex-5-ynoic acid
A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.
2-Methylcyclohexanone
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2. 2-Methylcyclohexanone is an endogenous metabolite.
DABCO
D020011 - Protective Agents > D011837 - Radiation-Protective Agents
4-METHYLCYCLOHEXANONE
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4.
3-Methyleneheptane
An alkene that is heptane which carries a methylidene group at position 3.
(2Z,4Z)-hexa-2,4-dienoic acid
One of four possible geometric isomers of sorbic acid, having cis-double bonds at positions 2 and 4.
(4E)-hept-4-en-2-one
A methyl ketone heptan-2-one carrying a double bond at position 4.
TRANS-1,4-DIMETHYLCYCLOHEXANE
The trans-isomer of 1,4-dimethylcyclohexane.
(E)-Hept-2-enal
A monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax.
cyclohexanecarbaldehyde
An aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1.
(2E,4E)-hexa-2,4-dienoic acid
A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.