Exact Mass: 143.0946
Exact Mass Matches: 143.0946
Found 500 metabolites which its exact mass value is equals to given mass value 143.0946,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Stachydrine
Proline betaine is an osmoprotective compound found in urine. It is thought to serve an osmoprotective role for the kidney. Proline betaine is a glycine betaine analogue found in many citrus foods. Elevated levels of proline betaine in human urine are found after the consumption of citrus fruits and juices (PMID: 18060588). Proline betaine is a biomarker for the consumption of citrus fruits. Alkaloid from Citrus spp Medicago sativa and Stachys subspecies(alfalfa). L-Stachydrine or also called proline betaine is a biomarker for the consumption of citrus fruits. L-Stachydrine is found in many foods, some of which are capers, pulses, lemon, and alfalfa. Proline betaine, also known as stachydrine, belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Proline betaine exists in all living organisms, ranging from bacteria to humans. Proline betaine is found, on average, in the highest concentration within capers (Capparis spinosa). Proline betaine has also been detected, but not quantified in, several different foods, such as soy beans (Glycine max), crosnes (Stachys affinis), domestic pigs (Sus scrofa domestica), limes (Citrus aurantiifolia), and triticales (X Triticosecale rimpaui). This could make proline betaine a potential biomarker for the consumption of these foods. Proline betaine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Proline betaine. Stachydrine is a major constituent of Chinese herb leonurus heterophyllus sweet used to promote blood circulation and dispel blood stasis. Stachydrine can inhibit the NF-κB signal pathway. Stachydrine is a major constituent of Chinese herb leonurus heterophyllus sweet used to promote blood circulation and dispel blood stasis. Stachydrine can inhibit the NF-κB signal pathway.
1-Naphthylamine
CONFIDENCE standard compound; INTERNAL_ID 8002 D009676 - Noxae > D002273 - Carcinogens
2-Aminonaphthalene
CONFIDENCE standard compound; INTERNAL_ID 516; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6383; ORIGINAL_PRECURSOR_SCAN_NO 6382 CONFIDENCE standard compound; INTERNAL_ID 516; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6382; ORIGINAL_PRECURSOR_SCAN_NO 6380 CONFIDENCE standard compound; INTERNAL_ID 516; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6375; ORIGINAL_PRECURSOR_SCAN_NO 6374 CONFIDENCE standard compound; INTERNAL_ID 516; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6368; ORIGINAL_PRECURSOR_SCAN_NO 6366 CONFIDENCE standard compound; INTERNAL_ID 516; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6328; ORIGINAL_PRECURSOR_SCAN_NO 6323 CONFIDENCE standard compound; INTERNAL_ID 516; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6403; ORIGINAL_PRECURSOR_SCAN_NO 6398 2-aminonaphthalene belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. D009676 - Noxae > D002273 - Carcinogens
6-Methylquinoline
6-Methylquinoline is found in tea. 6-Methylquinoline is a flavouring ingredient. Flavouring ingredient. 6-Methylquinoline is found in tea.
3beta,6beta-Dihydroxynortropane
(3S,6R)-8-Azabicyclo[3.2.1]octane-3,6-diol is found in fruits. (3S,6R)-8-Azabicyclo[3.2.1]octane-3,6-diol is an alkaloid from the fruit of Morus alba (white mulberry). Alkaloid from the fruit of Morus alba (white mulberry). 3beta,6beta-Dihydroxynortropane is found in fruits.
L-2-Amino-3-methylenehexanoic acid
L-2-Amino-3-methylenehexanoic acid is found in mushrooms. L-2-Amino-3-methylenehexanoic acid is found in carpophores of Amanita vaginata (grisette
Quinaldine
Quinaldine or 2-methylquinoline is a simple derivative of a heterocyclic compound quinoline.
Vinylacetylglycine
Vinylacetylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:. acyl-CoA + glycine < -- > CoA + N-acylglycine. Vinylacetylglycine is a human metabolite that had been identified in a GC/MS urine screen. Increased amounts of this metabolite in the urine has been linked to a metabolomic disorder termed Isovaleric acidemia. (Gas-Chromatographic Method of Analysis for Urinary Organic Acids. I. Retention indices of 155 metaboically Important Compounds; Kay Tanaka, David G. Hine, Agnes West-Dull, and Theodore B. Lynn.). Vinylacetylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
Trimethadione
Trimethadione is only found in individuals that have used or taken this drug. It is an anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378)Trimethadione reduces T-type calcium currents in thalamic neurons, including thalamic relay neurons. It does so via the inhibition of voltage dependent T-type calcium channels. This raises the threshold for repetitive activity in the thalamus, and inhibits corticothalamic transmission. Thus, the abnormal thalamocortical rhythmicity, which is thought to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram(EEG) with absence seizures, is dampened. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AC - Oxazolidine derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
2-Ethyl-2,5-dihydro-4,5-dimethylthiazole is maillard produced in foods. 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole is a flavouring agent for meats and soups, doubtless as a mixture of cis- and trans-forms. Maillard production in foods. Flavouring agent for meats and soups, doubtless as a mixture of cis- and trans-forms
1-Isothiocyanatohexane
1-Isothiocyanatohexane is found in brassicas. 1-Isothiocyanatohexane is isolated from radish (Raphanus sativus) and other crucifers. Isolated from radish (Raphanus sativus) and other crucifers. 1-Isothiocyanatohexane is found in brassicas.
1-Isothiocyanato-4-methylpentane
1-Isothiocyanato-4-methylpentane is found in root vegetables. 1-Isothiocyanato-4-methylpentane is isolated from radish (Raphanus sativus). Isolated from radish (Raphanus sativus). 1-Isothiocyanato-4-methylpentane is found in root vegetables.
5-ethyl-5-methyl-2,4-oxazolidinedione
5-ethyl-5-methyl-2,4-oxazolidinedione is a metabolite of paramethadione. Paramethadione is an anticonvulsant in the oxazolidinedione class. It is associated with fetal trimethadione syndrome, which is also known as paramethadione syndrome. (Wikipedia)
6-oxopiperidine-2-carboxylate
6-Oxopiperidine-2-carboxylic acid, also known as 6-Oxo-pipecolinic acid, or 6-Oxo-piperidine-2-carboxylic acid, is associated with penicillin V in the production on Penicillium chrysogenum fermentations. Analysis of a 13C NMR spectrum of a concentrated broth from Penicillium chrysogenum fermentation revealed the presence of penicillin V and 6-oxo-piperidine-2-carboxylic acid(1) as the principal constituents. The latter lactam, identical to an authentic sample prepared by the cyclization of alpha-aminoadipic acid was present to the extent of 28 mol\\% of penicillin V. The lactam isolated form the broth was nearly racemic, having a slight excess of the L-isomer. This isolation provides further evidence regarding the biosynthetic precursors of the hydrophobic penicillins. (PMID: 6788737
VALNOCTAMIDE
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic Valnoctamide (Valmethamide), a derivative of valproate, suppresses benzodiazepine-refractory status epilepticus. Valnoctamide (Valmethamide) acts directly on GABAA receptors[1].
Valpromide
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Sedridine
Sedridine is a member of the class of compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. Sedridine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Sedridine can be found in pomegranate, which makes sedridine a potential biomarker for the consumption of this food product.
octanoate
Caprylic acid, or octanoic acid, with the structural formula CH3(CH2)6CO2H, is an eight-carbon straight-chain fatty acid and a carboxylic acid. It is an oily Liquid with a slightly unpleasant rancid taste and odor. It is minimally soluble in water. Caprylic acid can be found in numerous foods such as Prunus (Cherry, Plum), pineapple sages, black raspberries, shallots, coconuts and breast milk. Caprylic acid is taken as a dietary supplement. Caprylic acid is used commercially in the production of esters used in perfumery and in the manufacture of dyes. Caprylic acid is an antimicrobial pesticide used as a food contact surface sanitizer on dairy equipment, food processing equipment, breweries, wineries, and beverage processing plants. It is also used as disinfectant in health care facilities, schools/colleges, industrial facilities, recreational facilities, retail and wholesale establishments, livestock premises, restaurants, and hotels/motels. In addition, caprylic acid is used as an algicide, bactericide, fungicide, and herbicide in greenhouses and garden centers. Caprylic acid, and other fatty acids, affect the hunger hormone ghrelin. Ghrelin must be acylated, where it acquires an -OH group, before it can stimulate the hunger receptors in the hypothalamus. Caprylic acid becomes linked post-translationally to serine at the 3-position by the enzyme ghrelin O-acyltransferase (GOAT), located on the cell membrane of ghrelin cells in the stomach and pancreas (PMID 19896496). Caprylic acid affects those with medium-chain acyl-CoA dehydrogenase deficiency (MCAD), which is an inborn error of metabolism, marked by mutations of the gene ACADM. Those affected with MCAD have difficulties converting fatty acids to energy, especially during fasting. As a result, fatty acids build up and cause damage to liver and brain (PMID: 27536022). Octanoate radical, also known as caprylic acid or octanoic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Octanoate radical is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Octanoate radical can be found in a number of food items such as soft-necked garlic, chicory, star anise, and grapefruit/pummelo hybrid, which makes octanoate radical a potential biomarker for the consumption of these food products. Octanoate radical can be found primarily in feces and urine. Moreover, octanoate radical is found to be associated with medium Chain Acyl-CoA Dehydrogenase Deficiency. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Stachydrine
L-proline betaine is an amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. It has a role as a food component, a plant metabolite and a human blood serum metabolite. It is a N-methyl-L-alpha-amino acid, an alkaloid and an amino-acid betaine. It is functionally related to a L-prolinium. It is a conjugate base of a N,N-dimethyl-L-prolinium. It is an enantiomer of a D-proline betaine. Stachydrine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Stachydrine is a natural product found in Teucrium polium, Halopithys incurva, and other organisms with data available. Proline betaine is an osmoprotective compound found in urine. It is thought to serve an osmoprotective role for the kidney. Proline betaine is a glycine betaine analogue found in many citrus foods. Elevated levels of proline betaine in human urine are found after the consumption of citrus fruits and juices (PMID: 18060588). Proline betaine is a biomarker for the consumption of citrus fruits. Alkaloid from Citrus spp Medicago sativa and Stachys subspecies(alfalfa). L-Stachydrine or also called proline betaine is a biomarker for the consumption of citrus fruits. L-Stachydrine is found in many foods, some of which are capers, pulses, lemon, and alfalfa. An amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. Stachydrine is a major constituent of Chinese herb leonurus heterophyllus sweet used to promote blood circulation and dispel blood stasis. Stachydrine can inhibit the NF-κB signal pathway. Stachydrine is a major constituent of Chinese herb leonurus heterophyllus sweet used to promote blood circulation and dispel blood stasis. Stachydrine can inhibit the NF-κB signal pathway.
Valpromide
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants A fatty amide derived from valproic acid.
(1S,4R)-1,4-dihydroxy-2-cyclopentene-1-carboxamide|rel-(1S,4R)-1,4-dihdyroxy-2-cyclopentenecarboxamide
(2S,3R)-2-Amino-3-hydroxy-4-hexynoic acid|2-Amino-3-hydroxy-4-hexynoic acid|L-threo-2-Amino-3-hydroxyhex-4-insaeure
6-(methylsulfanyl)hexanenitrile|6-(methylthio)-hexanenitrile|6-(methylthio)hexanenitrile|6-Methylmercapto-capronitril
1,2,3,6-Tetrahydro-3-hydroxy-2-pyridinecarboxylic acid
3-Methylisoquinoline
An isoquinoline substituted by a methyl group at position 3.
proline betaine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; CMUNUTVVOOHQPW-LURJTMIESA-N_STSL_0021_Stachydrine HCl_0125fmol_180407_S2_LC02_MS02_32; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
1-NAPHTHYLAMINE
A naphthylamine that is naphthalene substituted by an amino group at position 1. D009676 - Noxae > D002273 - Carcinogens
Trimethadione
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AC - Oxazolidine derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2-[4-[2-(METHYLSULFONYL)PHENYL]PIPERAZIN-1-YL]-ETHANOL
methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
7aH-Oxazolo[2,3-b]oxazole,tetrahydro-2,7a-dimethyl-
TERT-BUTYL (6-CHLORO-5-PIVALAMIDOPYRIDIN-2-YL)-METHYLCARBAMATE
(3-OXO-2-PENTYL-CYCLOPENTYL)-ACETICACIDMETHYLESTER
[5-(METHOXYMETHYL)-1,2,4-OXADIAZOL-3-YL]METHYLAMINE
(cis)-2-Aminocyclopentanecarboxylic acid methyl ester
1H-1,2,3-Triazole-4-carboxylicacid,4,5-dihydro-1-methyl-,methylester(9CI)
Pyrrolidine, 1-[(2R)-2-hydroxy-1-oxopropyl]- (9CI)
Cyclopropanecarboxamide, N-methoxy-N,2-dimethyl- (9CI)
Cyclopropanecarboxylic acid, 2-[(methylamino)carbonyl]- (9CI)
[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
Cyclohexanecarboxylic acid, 3-amino-, (1R,3S)- (9CI)
(S)-4-METHYL-2,2,2-TRIPHENYL-2LAMBDA5-[1,3,2]DIOXAPHOSPHOLANE
Cyclohexanecarboxylic acid, 2-amino-, (1R,2S)- (9CI)
2,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid
1H-Imidazole-5-carboxylicacid,2-amino-4,5-dihydro-1-methyl-(9CI)
5-Ethyl-5-methyl-1,3-oxazolidine-2,4-dione
An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by a methyl and ethyl group at position 5. It is a metabolite of paramethadione.
Valproate
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 anion that is the conjugate base of valproic acid. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
fatty acid anion 8:0
Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
6-ketopiperidine-2-carboxylic acid
A delta-lactam that is piperidine-2-carboxylic acid substituted at position 6 by an oxo group.
(1S,2S,5R,7R)-8-azabicyclo[3.2.1]octane-2,7-diol
{"Ingredient_id": "HBIN003238","Ingredient_name": "(1S,2S,5R,7R)-8-azabicyclo[3.2.1]octane-2,7-diol","Alias": "NA","Ingredient_formula": "C7H13NO2","Ingredient_Smile": "NA","Ingredient_weight": "143.18","OB_score": "67.73763039","CAS_id": "107633-95-4","SymMap_id": "SMIT02862","TCMID_id": "NA","TCMSP_id": "MOL000215","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3β-dihydroxynortropane
{"Ingredient_id": "HBIN005230","Ingredient_name": "2\u03b1,3\u03b2-dihydroxynortropane","Alias": "NA","Ingredient_formula": "C7H13NO2","Ingredient_Smile": "C1CC2C(C(CC1N2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6051","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2β,3β-dihydroxynortropane
{"Ingredient_id": "HBIN005374","Ingredient_name": "2\u03b2,3\u03b2-dihydroxynortropane","Alias": "NA","Ingredient_formula": "C7H13NO2","Ingredient_Smile": "C1CC2C(C(CC1N2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6052","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β,6-exo-dihydroxynortropane
{"Ingredient_id": "HBIN008112","Ingredient_name": "3\u03b2,6-exo-dihydroxynortropane","Alias": "NA","Ingredient_formula": "C7H13NO2","Ingredient_Smile": "C1C2CC(C(N2)CC1O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6053","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baogongteng C
{"Ingredient_id": "HBIN017573","Ingredient_name": "baogongteng C","Alias": "NA","Ingredient_formula": "C7H13NO2","Ingredient_Smile": "C1CC(C2CC(C1N2)O)O","Ingredient_weight": "143.18","OB_score": "66.48290686","CAS_id": "107259-50-7","SymMap_id": "SMIT02865","TCMID_id": "NA","TCMSP_id": "MOL000218","TCM_ID_id": "NA","PubChem_id": "102004951","DrugBank_id": "NA"}
