Exact Mass: 86.1095444
Exact Mass Matches: 86.1095444
Found 151 metabolites which its exact mass value is equals to given mass value 86.1095444,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Piperazine
Piperazine is an organic compound that consists of a six-membered ring containing two opposing nitrogen atoms. Piperazine exists as small alkaline deliquescent crystals with a saline taste. Piperazine was introduced to medicine as a solvent for uric acid. When taken into the body the drug is partly oxidized and partly eliminated unchanged. Outside the body, piperazine has a remarkable power to dissolve uric acid and producing a soluble urate, but in clinical experience it has not proved equally successful. Piperazine was first introduced as an anthelmintic in 1953. A large number of piperazine compounds have anthelmintic action. Their mode of action is generally by paralysing parasites, which allows the host body to easily remove or expel the invading organism. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CB - Piperazine and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent It is used as a food additive . KEIO_ID P046
Prenol
Prenol is found in blackcurrant. Prenol is a constituent of ylang-ylang and hop oils. Prenol is found in orange peel oil and various fruits e.g. orange, lemon, lime, grape, pineapple, purple passion fruit, loganberry etc. Prenol is a flavouring ingredient Constituent of ylang-ylang and hop oils. Found in orange peel oil and various fruits e.g. orange, lemon, lime, grape, pineapple, purple passion fruit, loganberry etc. Flavouring ingredient. 3-Methyl-2-buten-1-ol is an endogenous metabolite. 3-Methyl-2-buten-1-ol is an endogenous metabolite.
(±)-2-Methylbutanal
(±)-2-Methylbutanal, also known as 2-methylbutyraldehyde, belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms. (±)-2-Methylbutanal exists in all eukaryotes, ranging from yeast to humans. (±)-2-Methylbutanal is an almond, cocoa, and coffee tasting compound. (±)-2-Methylbutanal is found, on average, in the highest concentration within kohlrabis and milk (cow). (±)-2-Methylbutanal has also been detected, but not quantified, in several different foods, such as sugar apples, horned melons, hyacinth beans, persian limes, and root vegetables. (±)-2-Methylbutanal, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis and nonalcoholic fatty liver disease; (±)-2-methylbutanal has also been linked to the inborn metabolic disorder celiac disease. (±)-2-methylbutanal, also known as 2-methylbutyraldehyde, is a member of the class of compounds known as short-chain aldehydes. Short-chain aldehydes are an aldehyde with a chain length containing between 2 and 5 carbon atoms (±)-2-methylbutanal is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-2-methylbutanal can be found primarily in feces and saliva. Within the cell, (±)-2-methylbutanal is primarily located in the cytoplasm. It can also be found in the extracellular space.
Isovaleraldehyde
Iso-Valeraldehyde, also known as isoamyl aldehyde or 3-methyl-butanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Iso-Valeraldehyde exists in all eukaryotes, ranging from yeast to humans. Iso-Valeraldehyde is an aldehydic, chocolate, and ethereal tasting compound. Iso-Valeraldehyde is found, on average, in the highest concentration within a few different foods, such as milk (cow), beers, and taco and in a lower concentration in kohlrabis, corns, and tortilla. Iso-Valeraldehyde has also been detected, but not quantified, in several different foods, such as muskmelons, highbush blueberries, fenugreeks, hazelnuts, and dills. This could make iso-valeraldehyde a potential biomarker for the consumption of these foods. A methylbutanal that is butanal substituted by a methyl group at position 3. Iso-Valeraldehyde, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis, crohns disease, perillyl alcohol administration for cancer treatment, and hepatic encephalopathy; iso-valeraldehyde has also been linked to the inborn metabolic disorder celiac disease. Occurs in orange, bergamot, lemon, sandalwood, citronella, peppermint, eucalyptus and other oilsand is also in apple, grape, peach cider, vinegar, wines, wheatbreads, scallops and ginger
2-Pentanone
2-Pentanone, also known as ethyl acetone or fema 2842, 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. 2-Pentanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-pentanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-Pentanone is a sweet, alcohol, and banana tasting compound. 2-Pentanone is found, on average, in the highest concentration within milk (cow). 2-Pentanone has also been detected, but not quantified, in several different foods, such as fats and oils, corns, apples, evergreen blackberries, and fruits. This could make 2-pentanone a potential biomarker for the consumption of these foods. 2-Pentanone, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis, nonalcoholic fatty liver disease, and crohns disease; 2-pentanone has also been linked to the inborn metabolic disorder celiac disease. Isolated from soya oil (Glycine max), pineapple and a few other plant sources
Cyclopentanol
Cyclopentanol, also known as cyclopentyl alcohol or hydroxycyclopentane, is a member of the class of compounds known as cyclopentanols. Cyclopentanols are compounds containing a cyclopentane ring that carries an alcohol group. Cyclopentanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Cyclopentanol can be found in a number of food items such as walnut, cashew nut, cauliflower, and linden, which makes cyclopentanol a potential biomarker for the consumption of these food products.
Hexane
Hexane, also known as hexan or CH3-[CH2]4-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, hexane is considered to be a hydrocarbon lipid molecule. Hexane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hexane is an gasoline tasting compound. Hexane can be found, on average, in the highest concentration within kohlrabis. Hexane has also been detected, but not quantified, in several different foods, such as pomes, nuts, fruits, mushrooms, and corns. Exposure to hexane may also damage the lungs and reproductive system. Hexane is a potentially toxic compound. It causes degeneration of the peripheral nervous system (and eventually the central nervous system), starting with damage to the nerve axons. The initial reaction is oxidation by cytochrome P-450 isozymes to hexanols, predominantly 2-hexanol. Inhalation of high concentrations produces first a state of mild euphoria, followed by somnolence with headaches and nausea. 2,5-Hexanedione also reacts with lysine side-chain amino groups in axonal cytoskeletal proteins to form pyrroles. Continued exposure may lead to paralysis of the arms and legs. Extraction solvent used in food production Present in volatile fractions of various plant subspecies e.g. apples, orange juice, guava fruit, roasted filberts, porcini (Boletus edulis), shiitake (Lentinus edodes), heated sweet potato and sageand is also present in scallops. Hexane is found in many foods, some of which are citrus, pomes, mushrooms, and herbs and spices.
Isoprenyl alcohol
Isoprenyl alcohol, also known as CH2=chc(CH3)2oh or methylbutenol, belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H). Isoprenyl alcohol is an earthy, herbal, and oily tasting compound. isoprenyl alcohol has been detected, but not quantified, in a few different foods, such as blackcurrants, citrus, and fruits. This could make isoprenyl alcohol a potential biomarker for the consumption of these foods. A tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. Isoprenyl alcohol is a flavouring ingredient. It is found in ylang ylang, orange juice, lemon juice, pineapple and other fruits.
(S)-2-Methylbutanal
(S)-2-Methylbutanal is found in coffee and coffee products. (S)-2-Methylbutanal is found in tea, coffee, peppermint oil (Mentha piperita
1-Penten-3-ol
1-Penten-3-ol, also known as fema 3584, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). 1-Penten-3-ol exists in all eukaryotes, ranging from yeast to humans. 1-Penten-3-ol is a bitter and fruity tasting compound. 1-Penten-3-ol is found, on average, in the highest concentration within a few different foods, such as tea, milk (cow), and safflowers and in a lower concentration in kohlrabis. 1-Penten-3-ol has also been detected, but not quantified, in several different foods, such as mung beans, rabbiteye blueberries, pomes, cauliflowers, and evergreen blackberries. Isolated from soya (Glycine max), banana, orange juice or peel oil, raspberries, asparagus, shallot, crispbread, smoked fatty fish, scallops, roasted peanut, black and green tea (Thea sinensis) and other foods. Flavouring ingredient. 1-Penten-3-ol is found in many foods, some of which are pulses, sweet bay, blackcurrant, and kohlrabi.
Pentanal
Pentanal, also known as N-valeraldehyde or amyl aldehyde, belongs to the class of organic compounds known as alpha-hydro gen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. Pentanal is a saturated fatty aldehyde composed from five carbons in a straight chain. Thus, pentanal is considered to be a fatty aldehyde lipid molecule. Pentanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Pentanal is an almond, berry, and bready tasting compound. Pentanal is found, on average, in the highest concentration within a few different foods, such as black walnuts, milk (cow), and carrots and in a lower concentration in corns, tortilla, and safflowers. Pentanal has also been detected, but not quantified, in several different foods, such as crustaceans, garden tomato, herbs and spices, and guava. This could make pentanal a potential biomarker for the consumption of these foods. Found in olive oil and several essential oilsand is also present in Bantu beer, plum brandy, cardamom, coriander leaf, rice, Bourbon vanilla, clary sage, cooked shrimps, scallops, apple, banana, sweet cherry, blackcurrant and other foods.
2-Methyl-2-buten-1-ol
Widespread nat. occurrence, e.g. in Ochromonas danica, in Anthemis nobilis (as acetate), in fruit juices and animal sources (unspecified stereochem.). 2-Methyl-2-buten-1-ol is found in herbs and spices, animal foods, and fruits. Tiglic alcohol is found in herbs and spices. Tiglic alcohol is found in Roman chamomile ( Anthemis nobilis) (together with esters
xi-3-Methyl-3-buten-2-ol
xi-3-Methyl-3-buten-2-ol is found in cereals and cereal products. xi-3-Methyl-3-buten-2-ol is a constituent of orange, blackcurrant, grape and hops. Constituent of orange, blackcurrant, grape and hops. xi-3-Methyl-3-buten-2-ol is found in cereals and cereal products, citrus, and fruits.
(E)-2-Penten-1-ol
(z)-2-penten-1-ol is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, (z)-2-penten-1-ol is considered to be a fatty alcohol lipid molecule (z)-2-penten-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). (z)-2-penten-1-ol is an ethereal, fruity, and green tasting compound found in safflower and tea, which makes (z)-2-penten-1-ol a potential biomarker for the consumption of these food products (z)-2-penten-1-ol can be found primarily in feces. (Z)-2-Penten-1-ol is found in safflower. (Z)-2-Penten-1-ol is isolated from green and black tea (Thea sinensis
3-Methylpentane
3-Methylpentane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. These solvents are also used as cleaning agents in the printing, textile, furniture, and shoemaking industries. Breathing large amounts of hexane causes numbness in the feet and hands, followed by muscle weakness in the feet and lower legs. 3-Methylpentane is possibly neutral. 3-Methylpentane is a potentially toxic compound. Inhalation of high concentrations produces first a state of mild euphoria, followed by somnolence with headaches and nausea.
2-Methylpentane
2-Methylpentane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. 2-Methylpentane is possibly neutral. 2-Methylpentane is a potentially toxic compound. It causes degeneration of the peripheral nervous system (and eventually the central nervous system), starting with damage to the nerve axons. It is distributed throughout the body in the blood, and metabolized by mixed function oxidases in the liver to a number of metabolites.
3-Methyl-3-buten-1-ol
3-Methyl-3-buten-1-ol is found in herbs and spices. 3-Methyl-3-buten-1-ol is a constituent of ylang-ylang oil Constituent of ylang-ylang oil. 3-Methyl-3-butenol is found in herbs and spices.
N,N,N-Trimethylethenaminium
N,N,N-Trimethylethenaminium hydroxide, also known as neurine, is an alkaloid found in egg yolk, brain, bile and in cadavers. It is formed during putrefaction of biological tissues by the dehydration of choline. It is a poisonous, syrupy liquid with a fishy odor. Neurine is a quaternary ammonium salt with three methyl groups and one vinyl group attached to the nitrogen atom. Synthetically, neurine can be prepared by the reaction of acetylene with trimethylamine. Neurine is unstable and decomposes readily to form trimethylamine. (Wikipedia)
Pent-1-en-2-ol
Pent-1-en-2-ol, also known as 1-penten-2-ol, is a member of the class of compounds known as enols. Enols are compounds containing the enol functional group, with the structure HO(R)C=CR. Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Pent-1-en-2-ol is soluble (in water) and a very weakly acidic compound (based on its pKa). Pent-1-en-2-ol can be found in corn, which makes pent-1-en-2-ol a potential biomarker for the consumption of this food product.
trans-2-pentenol
Trans-2-pentenol is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Trans-2-pentenol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Trans-2-pentenol can be found in a number of food items such as mandarin orange (clementine, tangerine), green zucchini, garlic, and abiyuch, which makes trans-2-pentenol a potential biomarker for the consumption of these food products.
3-PENTANONE
A natural product found in Triatoma brasiliensis and Triatoma infestans. 3-pentanone, also known as diethyl ketone or ethyl propionyl, is a member of the class of compounds known as ketones. Ketones 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. Thus, 3-pentanone is considered to be an oxygenated hydrocarbon lipid molecule. 3-pentanone is soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-pentanone is an acetone and ethereal tasting compound and can be found in a number of food items such as strawberry guava, ceylon cinnamon, beech nut, and pak choy, which makes 3-pentanone a potential biomarker for the consumption of these food products.
Isovaleraldehyde
A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives.
Prenol
3-Methyl-2-buten-1-ol is an endogenous metabolite. 3-Methyl-2-buten-1-ol is an endogenous metabolite.
pentan-3-one
A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans.
FOH 5:1
3-Methyl-2-buten-1-ol is an endogenous metabolite. 3-Methyl-2-buten-1-ol is an endogenous metabolite.
Pent-cis-2-en-1-ol
(e)-2-penten-1-ol, also known as pent-2(E)-enol or trans-2-pentenol, is a member of the class of compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). Thus, (e)-2-penten-1-ol is considered to be a fatty alcohol lipid molecule (e)-2-penten-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). (e)-2-penten-1-ol is an ethereal, fruity, and green tasting compound found in safflower and tea, which makes (e)-2-penten-1-ol a potential biomarker for the consumption of these food products (e)-2-penten-1-ol can be found primarily in feces.
Methylisopropyl ketone
Methylisopropyl ketone, also known as isopropyl methyl ketone or 2-acetylpropane, is a member of the class of compounds known as ketones. Ketones 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. Thus, methylisopropyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Methylisopropyl ketone is soluble (in water) and an extremely weak acidic compound (based on its pKa). Methylisopropyl ketone is a camphor tasting compound found in guava and potato, which makes methylisopropyl ketone a potential biomarker for the consumption of these food products.
(E)-2-penten-1-ol
A 2-penten-1-ol in which the double bond has (E)-configuration. It is a volatile compound found in cooked mussels, olive oil, fermented cucumber brine and cashew apple juice. Isolated from grapes and fruits of Vaccinium subspecies (E)-2-Penten-1-ol is found in safflower and fruits.
(R)-2-methylpyrrolidinium
An organic cation obtained by protonation of the imino group of (R)-2-methylpyrrolidine. It is the major microspecies at pH 7.3
piperazine
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CB - Piperazine and derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
2-Methylbutanal
A methylbutanal in which the methyl substituent is at position 2.
3-METHYL-2-BUTEN-1-OL
3-Methyl-2-buten-1-ol is an endogenous metabolite. 3-Methyl-2-buten-1-ol is an endogenous metabolite.
2-Penten-1-ol
A primary allylic alcohol that is 2-pentene in which a hydrogen at position 1 has been replaced by a hydroxy group.
3-METHYLPENTANE
An alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black.
Isopentenyl alcohol
A primary alcohol having the structure of isopentyl alcohol but with a double bond between C-3 and one of the C-4 atoms.
(Z)-2-penten-1-ol
A 2-penten-1-ol in which the double bond has (Z)-configuration. It is a volatile compound found in green tea, virgin olive oil, and broccoli. It is also used as a fragrance ingredient cosmetics, shampoos and soaps as well as in non-cosmetic products such as household cleaners and detergents.
3-hydroxy-3-methylbut-1-ene
A tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3.