Exact Mass: 144.1262566
Exact Mass Matches: 144.1262566
Found 500 metabolites which its exact mass value is equals to given mass value 144.1262566,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Caprylic acid
Caprylic acid is the common name for the eight-carbon straight-chain fatty acid known by the systematic name octanoic acid. It is found naturally in coconuts and breast milk. It is an oily liquid with a slightly unpleasant rancid taste that is minimally soluble in water. Caprylic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes (Wikipedia). Caprylic acid can be found in numerous foods such as Prunus (Cherry, Plum), pineapple sages, black raspberries, and shallots. Caprylic acid is found to be associated with medium-chain acyl-CoA dehydrogenase deficiency, which is an inborn error of metabolism. Widespread in plant oils, free and as glyceridesand is also present in apple, banana, orange juice and peel, pineapple, cognac, calamus, blue cheeses, cheddar cheese, Swiss cheese, feta cheese and other cheeses. Flavouring agent, defoamer, lubricant, binder and antimicrobial preservative in cheese wraps KEIO_ID C037 Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
Valproic acid
Valproic acid (VPA) is considered to be a drug of first choice and one of the most frequently-prescribed antiepileptic drugs worldwide for the therapy of generalized and focal epilepsies, including special epileptic. It is a broad-spectrum antiepileptic drug and is usually well tolerated. Rarely, serious complications may occur in some patients, including hemorrhagic pancreatitis, coagulopathies, bone marrow suppression, VPA-induced hepatotoxicity and encephalopathy, but there is still a lack of knowledge about the incidence and occurrence of these special side effects. VPA has been approved for stabilization of manic episodes in patients with bipolar disorder. It is also used to treat migraine headaches and schizophrenia. As the use of VPA increases, the number of both accidental and intentional exposures increases. This is paralleled by more reports of VPA-induced toxicity. VPA is relatively contraindicated in pregnancy due to its teratogenicity. It is a known folate antagonist, which can cause neural tube defects. Thus, folic acid supplements may alleviate teratogenic problems. Women who become pregnant whilst taking valproate should be counselled as to its risks. VPA is an inhibitor of the enzyme histone deacetylase 1 (HDAC1). HDAC1 is needed for HIV to remain in infected cells. Patients treated with valproic acid in addition to highly active antiretroviral therapy (HAART) showed a median 75\\% reduction in latent HIV infection. VPA is believed to affect the function of the neurotransmitter GABA (as a GABA transaminase inhibitor) in the human brain. Valproic Acid dissociates to the valproate ion in the gastrointestinal tract. (PMID: 18201150, 17496767) [HMDB] Valproic acid (VPA) is considered to be a drug of first choice and one of the most frequently-prescribed antiepileptic drugs worldwide for the therapy of generalized and focal epilepsies, including special epileptic. It is a broad-spectrum antiepileptic drug and is usually well tolerated. Rarely, serious complications may occur in some patients, including hemorrhagic pancreatitis, coagulopathies, bone marrow suppression, VPA-induced hepatotoxicity and encephalopathy, but there is still a lack of knowledge about the incidence and occurrence of these special side effects. VPA has been approved for stabilization of manic episodes in patients with bipolar disorder. It is also used to treat migraine headaches and schizophrenia. As the use of VPA increases, the number of both accidental and intentional exposures increases. This is paralleled by more reports of VPA-induced toxicity. VPA is relatively contraindicated in pregnancy due to its teratogenicity. It is a known folate antagonist, which can cause neural tube defects. Thus, folic acid supplements may alleviate teratogenic problems. Women who become pregnant whilst taking valproate should be counselled as to its risks. VPA is an inhibitor of the enzyme histone deacetylase 1 (HDAC1). HDAC1 is needed for HIV to remain in infected cells. Patients treated with valproic acid in addition to highly active antiretroviral therapy (HAART) showed a median 75\\% reduction in latent HIV infection. VPA is believed to affect the function of the neurotransmitter GABA (as a GABA transaminase inhibitor) in the human brain. Valproic Acid dissociates to the valproate ion in the gastrointestinal tract. (PMID: 18201150, 17496767). D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
1-Nonanol
1-Nonanol is found in citrus. 1-Nonanol is widespread in nature. 1-Nonanol occurs in oils of orange, citronella and lemon. Also found in cheese, prickly pears and bread. 1-Nonanol is a straight chain fatty alcohol with nine carbon atoms and the molecular formula CH3(CH2)8OH. It is a colorless to slightly yellow liquid with a citrus odor similar to citronella oil Widespread in nature. Occurs in oils of orange, citronella and lemonand is also found in cheese, prickly pears and bread. Flavouring agent
Tiformin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
4-Hydroxycyclohexylcarboxylic acid
4-Hydroxycyclohexylcarboxylic acid is a rare compound in urinary organic acid analysis. It has been found to be a metabolite of Arthrobacter (http://www.nrcresearchpress.com/doi/pdf/10.1139/m74-202). A rare compound in urinary organic acid analysis [HMDB] 4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].
4-Amino-1-piperidinecarboxylic acid
This compound belongs to the family of Piperidinecarboxylic Acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
Butyl butyrate
Butyl butyrate, or butyl butanoate, is an organic compound that is an ester formed by the condensation of butyric acid and n-butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Its refractive index is 1.406 at 20 °C. Butyl butyrate is found in alcoholic beverages. Butyl butyrate is present in many fruits, e.g. banana, cherry, melon, plum, also present in gruyere de comte cheese, cider, soybean etc. Butyl butyrate is used in fruit flavour compositions Butyl butyrate is an organic compound which is an ester formed by the condensation of butyric acid and butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Present in many fruits, e.g. banana, cherry, melon, plum, also present in gruyere de comte cheese, cider, soybean etc. It is used in fruit flavour compositions
2-Ethylhexanoic acid
2-Ethylhexanoic acid, also known as 2-ethylhexanoate or alpha-ethylcaproic acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 2-Ethylhexanoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Ethylhexanoic acid is a potentially toxic compound. Found in grapes
Ethyl levulinate
Ethyl levulinate is a flavouring ingredient. Flavouring ingredient
Ethyl hexanoate
Ethyl hexanoate, also known as ethyl caproate or ethyl hexoic acid, is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester. Ethyl hexanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Found in many fruits, clove bud, corn oil, Camembert cheese, milk, fruit brandies, sparkling wine and Bourbon vanilla. It is used in perfumes and fruit flavours
Hexyl acetate
Hexyl acetate, also known as N-hexyl ethanoate or hexyl acetic acid, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). The acetate ester of hexan-1-ol. Hexyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hexyl acetate is a sweet, apple, and banana tasting compound. Hexyl acetate is found, on average, in the highest concentration within highbush blueberries. Hexyl acetate has also been detected, but not quantified, in several different foods, such as alcoholic beverages, pears, oats, roman camomiles, and sweet cherries. This could make hexyl acetate a potential biomarker for the consumption of these foods. Hexyl acetate is used in fruit essences and fruit aroma concentrates. It is found in wines, black tea, soya bean, roman camomile, peach, purple mangosteen, and muskmelon.
Ethyl (±)-3-methylpentanoate
Ethyl (±)-3-methylpentanoate is a flavouring ingredien Flavouring ingredient
Botryodiplodin
Botryodiplodin is a mycotoxin produced by Botryodiplodia theobromae, Penicillium carneoluteus and Penicillium roquefortii. It is isolated from P. roquefortii infected corn silage. Mycotoxin production by Botryodiplodia theobromae, Penicillium carneoluteus and Penicillium roquefortii. Isolated from P. roquefortii infected corn silage
Isopropyl 2-methylbutanoate
Isopropyl 2-methylbutanoate is a flavouring ingredient. Flavouring ingredient
3-Methylbutyl propanoate
3-Methylbutyl propanoate is found in apple. 3-Methylbutyl propanoate is used in food flavouring. It is used in food flavouring. 3-Methylbutyl propanoate is found in roman camomile and apple.
Ethyl (±)-2-methylpentanoate
Ethyl (±)-2-methylpentanoate is a flavouring ingredien Flavouring ingredient
3-Hydroxy-2-octanone
3-Hydroxy-2-octanone 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 .
Pentyl propanoate
Pentyl propanoate is a flavouring ingredient Pentyl propanoate is an organic compound which is the ester formed by the condensation of pentanol and propanoic acid. It is also known as apricot essence Flavouring ingredient
Tetrahydrofurfuryl acetate
Tetrahydrofurfuryl acetate is a flavouring ingredien Flavouring ingredient
3-Nonanol
Constituent of Scotch spearmint oil and yarrow oil from Achillea fragrantissima. 3-Nonanol is found in spearmint and herbs and spices. 3-Nonanol is found in herbs and spices. 3-Nonanol is a constituent of Scotch spearmint oil and yarrow oil from Achillea fragrantissima
2-Methylheptanoic acid
(±)-2-Methylheptanoic acid is a flavouring ingredien It is used as a food additive .
Isobutyl isobutyrate
Present in apricot, banana, melon, strawberry and other fruitsand is) also present in olive, myrtle berry or leaf, hop oil and white wines. Flavouring agent. Isobutyl isobutyrate is found in many foods, some of which are roman camomile, fruits, alcoholic beverages, and sweet bay. Isobutyl isobutyrate is found in alcoholic beverages. Isobutyl isobutyrate is present in apricot, banana, melon, strawberry and other fruits. Also present in olive, myrtle berry or leaf, hop oil and white wines. Isobutyl isobutyrate is a flavouring agent.
N6-Methylagmatine
Isolated from soybean and alfalfa. N6-Methylagmatine is found in soy bean, pulses, and common bean. N6-Methylagmatine is found in common bean. N6-Methylagmatine is isolated from soybean and alfalfa.
1-Hydroxy-3-octanone
1-Hydroxy-3-octanone is a flavouring ingredien Flavouring ingredient
Butyl isobutyrate
Butyl isobutyrate, also known as fema 2188, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Butyl isobutyrate is a sweet, apple, and banana tasting compound. Butyl isobutyrate has been detected, but not quantified, in several different foods, such as alcoholic beverages, fruits, milk and milk products, and pomes. Present in various fruits, e.g. apple, apricot, guava fruit, melonand is) also present in provolone cheese, hop oil, honey, white wine and apple brandy. Flavouring agent. Butyl isobutyrate is found in many foods, some of which are milk and milk products, fruits, pomes, and alcoholic beverages.
2-Methylpropyl butanoate
2-Methylpropyl butanoate is found in apple. 2-Methylpropyl butanoate is found in bananas. 2-Methylpropyl butanoate is used in food flavouring. Found in bananas. It is used in food flavouring.
2-Nonanol
2-Nonanol, also known as 2-hydroxynonane or 2-nonyl alcohol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 2-Nonanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-nonanol is considered to be a fatty alcohol lipid molecule. Isolated from various essential oils, orange (Citrus sinensis), ginger (Zingiber officinale), coconut (Coces nucifera)and is also present in guava fruit, raw asparagus, various cheeses and wines. 2-Nonanol is found in many foods, some of which are tea, cloves, milk and milk products, and citrus.
Propyl 3-methylbutanoate
Propyl 3-methylbutanoate is found in fruits. Propyl 3-methylbutanoate is used in fruit flavouring. Propyl 3-methylbutanoate is present in banana, jackfruit and gruyere de comte chees Propyl 3-methylbutanoate is used in fruit flavouring. It is found in milk and milk products and fruits.
Isopropyl 3-methylbutanoate
Isopropyl 3-methylbutanoate is used in pineapple fruit flavourin It is used in pineapple fruit flavouring.
Homoagmatine
Homoagmatine is found in pulses. Homoagmatine is a constituent of Lathyrus sativus (chickling pea)
Methyl heptanoate
Methyl heptanoate is found in pepper (c. frutescens). Methyl heptanoate is a flavouring agent Flavouring agent. Methyl heptanoate is found in pepper (spice) and pepper (c. frutescens).
6-Methylheptanoic acid
6-Methylheptanoic acid is found in alcoholic beverages. 6-Methylheptanoic acid is present in hop oil (Humulus lupulus) as the Me este Present in hop oil (Humulus lupulus) as the Me ester. 6-Methylheptanoic acid is found in alcoholic beverages and fats and oils.
N-Acetylcadaverine
N-Acetylcadaverine is the acetylated form of the polyamine cadaverine. Cadaverine is produced by the breakdown of amino acids in living and dead organisms and is toxic in large doses. Cadaverine is largely responsible for the foul odor of putrefying flesh, but also contributes to the odor of such processes as bad breath and bacterial vaginosis. Cadaverine is also found in semen. Polyamines (and their acetylated forms) are known to be closely related with cell growth, cell proliferation, and synthesis of proteins and nucleic acids. Their concentrations are adjusted either by regulating the activity levels of the biosynthetic and catabolic reactions or by controlling the net direction of polyamine acetylation-deacetylation. In Alzheimers disease (AD), the neurotoxic amyloid β-peptide is known to up-regulate polyamine metabolism by increasing ornithine decarboxylase activity and polyamine uptake by initiating free radical damage. Because of these findings, polyamines have been considered to play an important role in response to neurodegenerative conditions. Altered levels of polyamines have been found in tissue, hair and body fluids of patients with neuromuscular diseases and neurodegenerative conditions. (PMID: 17723614). N-Acetylcadaverine has been found to be a metabolite of several bacteria species (https://www.sciencedirect.com/science/article/pii/S209580991730423X). N-Acetylcadaverine is the acetylated form of the polyamine cadaverine. Cadaverine is produced by the breakdown of amino acids in living and dead organisms and is toxic in large doses. Cadaverine is largely responsible for the foul odor of putrefying flesh, but also contributes to the odor of such processes as bad breath and bacterial vaginosis. Cadaverine is also found in semen. Polyamines (and their acetylated forms) are known to be closely related with cell growth, cell proliferation, and synthesis of proteins and nucleic acids. Their concentrations are adjusted either by regulating the activity levels of the biosynthetic and catabolic reactions or by controlling the net direction of polyamine acetylation-deacetylation. In Alzheimers disease (AD), the neurotoxic amyloid β-peptide is known to up-regulate polyamine metabolism by increasing ornithine decarboxylase activity and polyamine uptake by initiating free radical damage. Because of these findings, polyamines have been considered to play an important role in response to neurodegenerative conditions. Altered levels of polyamines have been found in tissue, hair and body fluids of patients with neuromuscular diseases and neurodegenerative conditions. (PMID: 17723614) [HMDB]
1-(3-Aminopropyl)-4-aminobutanal
1-(3-Aminopropyl)-4-aminobutanal is an intermediate in beta-alanine biosynthesis I. Beta-alanine is the only naturally occurring beta-amino acid - the amino group is at the β-position from the carboxylate group. It is formed in vivo by the degradation of dihydrouracil and carnosine. Beta-alanine is a component of the naturally occurring peptides carnosine and anserine and also of pantothenic acid (Vitamin B-5) which itself is a component of coenzyme A. In beta-alanine biosynthesis I pathway, 1 (3 Aminopropyl) 4 aminobutanal is generated from the hydrolysis of spermine and can be converted by spontaneous cyclization to 1-(3-aminopropyl)-pyrrolinium. [HMDB] 1-(3-Aminopropyl)-4-aminobutanal is an intermediate in beta-alanine biosynthesis I. Beta-alanine is the only naturally occurring beta-amino acid - the amino group is at the β-position from the carboxylate group. It is formed in vivo by the degradation of dihydrouracil and carnosine. Beta-alanine is a component of the naturally occurring peptides carnosine and anserine and also of pantothenic acid (Vitamin B-5) which itself is a component of coenzyme A. In beta-alanine biosynthesis I pathway, 1 (3 Aminopropyl) 4 aminobutanal is generated from the hydrolysis of spermine and can be converted by spontaneous cyclization to 1-(3-aminopropyl)-pyrrolinium.
(3R,5Z)-5-Octene-1,3-diol
(3R,5Z)-5-Octene-1,3-diol is found in pomes. (3R,5Z)-5-Octene-1,3-diol is a constituent of apple juice Constituent of apple juice. (3R,5Z)-5-Octene-1,3-diol is found in pomes.
Diisobutylcarbinol
Diisobutylcarbinol is a flavouring ingredien Flavouring ingredient
(±)-3,5,5-Trimethyl-1-hexanol
(±)-3,5,5-trimethyl-1-hexanol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (±)-3,5,5-trimethyl-1-hexanol is considered to be a fatty alcohol lipid molecule (±)-3,5,5-trimethyl-1-hexanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, (±)-3,5,5-trimethyl-1-hexanol is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. (±)-3,5,5-Trimethyl-1-hexanol is a flavouring ingredien
Methyl 5-methylhexanoate
Methyl 5-methylhexanoate is found in alcoholic beverages. Methyl 5-methylhexanoate is isolated from hop oil (Humulus lupulus Isolated from hop oil (Humulus lupulus). Methyl 5-methylhexanoate is found in alcoholic beverages.
2-Ethylbutyl acetate
2-Ethylbutyl acetate is a flavouring ingredien Flavouring ingredient
cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane
cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1,1-Dimethoxy-trans-2-hexene
1,1-Dimethoxy-trans-2-hexene 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 .
Ethyl 4-methylpentanoate
Ethyl 4-methylpentanoate 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 .
Valeraldehyde propyleneglycol acetal
Valeraldehyde propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Heptyl formate
Heptyl formate is a food flavour Heptyl formate is a food flavou
(±)-5-Hydroxy-4-octanone
(±)-5-Hydroxy-4-octanone is a flavouring agent Flavouring agent
3-(Hydroxymethyl)-2-heptanone
(±)-3-(Hydroxymethyl)-2-heptanone is a food additiv It is used as a food additive
Methyl (R)-3-methyl-2-oxopentanoate
Methyl (R)-3-methyl-2-oxopentanoate is a flavouring ingredient. Flavouring ingredient
Propyl pentanoate
Propyl pentanoate is used in pineapple flavours. It is used in pineapple flavours
Ethyl 2-ethylbutanoate
Ethyl 2-ethylbutanoate 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
Tetrahydro-2,5-dimethyl-2H-pyranmethanol
Tetrahydro-2,5-dimethyl-2H-pyranmethanol belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
Milacemide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
FA 8:0
Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
1,3-Diisopropylurea
CONFIDENCE standard compound; INTERNAL_ID 360; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6205; ORIGINAL_PRECURSOR_SCAN_NO 6203 CONFIDENCE standard compound; INTERNAL_ID 360; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6211; ORIGINAL_PRECURSOR_SCAN_NO 6210 INTERNAL_ID 360; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6235; ORIGINAL_PRECURSOR_SCAN_NO 6233 CONFIDENCE standard compound; INTERNAL_ID 360; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6235; ORIGINAL_PRECURSOR_SCAN_NO 6233 CONFIDENCE standard compound; INTERNAL_ID 360; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6237; ORIGINAL_PRECURSOR_SCAN_NO 6235 CONFIDENCE standard compound; INTERNAL_ID 360; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6256; ORIGINAL_PRECURSOR_SCAN_NO 6251 CONFIDENCE standard compound; INTERNAL_ID 360; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6190; ORIGINAL_PRECURSOR_SCAN_NO 6188
2,6-Dimethylheptan-1-ol
An alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1.
ampelomin B|rel-(1S,2S,3R,4S,5S)-2,3-epoxy-5-methylcyclohexane-1,4-diol
(E)-1,9-Undecadiene-5,7-diyne|Undeca-1,9t-dien-5,7-diin|undeca-1,9t-diene-5,7-diyne
4-(hydroxymethyl)-3,5-dimethyl-dihydrofuran-2(3H)-one|dihydro-4-(hydroxymethyl)-3,5-dimethyl-2(3H)-furanone
Valproate
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors KEIO_ID V003
VALPROIC ACID
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors KEIO_ID V004
Caprylic acid
Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
4-Hydroxycyclohexylcarboxylic acid
4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols.
4-guanidinobutanamide
A butanamide having a guanidino group at the 4-position.
4-Hydroxycyclohexanecarboxylic acid
4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].
octanoic acid
A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
Hydroxycyclohexane-carboxylic Acid
4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].
N-Acetylcadaverine
An N-substituted cadaverine that is cadaverine in which one of the amino groups has been converted to the corresponding acetamide.
2-NONANOL
1-nonadecanol is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. 1-nonadecanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1-nonadecanol can be found in black elderberry and potato, which makes 1-nonadecanol a potential biomarker for the consumption of these food products.
Isobutyl butyrate
A butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery.
Nonan-3-ol
A secondary alcohol that is nonane substituted by a hydroxy group at position 3.
FA 8:0
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
1-(2-AMINO-ACETYL)-PIPERIDINE-4-CARBOXYLICACIDETHYLESTERHCL
(6S)-6-Methyl-1-octanol
An alkyl alcohol that is 6-methyloctane carrying a hydroxy group at position 1 (the S-stereoisomer).
1-amino-3-(1-pyrrolidinyl)-2-propanol(SALTDATA: FREE)
2H-Pyran-4-carboxylicacid,tetrahydro-,hydrazide(9CI)
2-Methyl-N1-(2-methyl-2-propanyl)-1,2-propanediamine
sec-butyl butyrate
A butyrate ester obtained by the formal condensation of butyric acid with butan-2-ol.
(TERT-BUTOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUMCHLORIDE
n,n-diethyl-2-(methylamino)acetamide hydrochloride
(R)-(+)-2-(METHOXYMETHYL)-1-PYRROLIDINECARBOXALDEHYDE
(2E,4Z)-4-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)-1-PHENYLBUT-2-EN-1-ONE
(2S)-2,6-dimethylheptan-1-ol
The (S)-enantiomer of 2,6-dimethylheptan-1-ol.
(2R)-2,6-dimethylheptan-1-ol
The (R)-enantiomer of 2,6-dimethylheptan-1-ol.
1-Propanol, 2-methyl-2-[(2-methyl-2-propenyl)oxy]-
(3R,5R)-5-amino-3-methyl-D-proline
An aminopyrrolidine that is D-proline substituted by a amino group at position 5 and a methyl group at position 3.
LS-691
Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
4-(Trimethylammonio)but-2-enoic acid
C7H14NO2+ (144.10244840000001)
(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
C7H14NO2+ (144.10244840000001)
1,1-Dimethylpyrrolidin-1-ium-2-carboxylic acid
C7H14NO2+ (144.10244840000001)
nonalol
A nonanol that is nonane substituted by a hydroxy group at position 1. It has been isolated as a component of volatile oils from plants like Hordeum vulgare.
Ethyl hexanoate
A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.
Nonan-5-ol
A secondary alcohol that is nonane substituted by a hydroxy group at position 5.
nonan-4-ol
A secondary alcohol that is nonane substituted by a hydroxy group at position 4.
nonan-2-ol
A secondary alcohol that is nonane substituted by a hydroxy group at position 2.