Exact Mass: 158.0883
Exact Mass Matches: 158.0883
Found 316 metabolites which its exact mass value is equals to given mass value 158.0883,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1,5-Naphthalenediamine
CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1321; ORIGINAL_PRECURSOR_SCAN_NO 1317 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1306; ORIGINAL_PRECURSOR_SCAN_NO 1305 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1313; ORIGINAL_PRECURSOR_SCAN_NO 1311 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1314; ORIGINAL_PRECURSOR_SCAN_NO 1311 CONFIDENCE standard compound; INTERNAL_ID 543; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1302; ORIGINAL_PRECURSOR_SCAN_NO 1298
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate is a flavouring agent Flavouring agent
3-Oxovalproic acid
3-Oxovalproic acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)
2-n-Propyl-4-oxopentanoic acid
2-n-Propyl-4-oxopentanoic acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)
Tetrahydrofurfuryl propionate
Tetrahydrofurfuryl propionate is a flavouring ingredien Flavouring ingredient
Alpha-Ketooctanoic acid
alpha-Ketooctanoic acid is a branched-chain alpha-keto acid. Branched-chain alpha-keto acids are the intermediate metabolites of branched-chain amino acids. Changes in the blood levels of these alpha-keto acids may indicate disturbances in the metabolism of the original substrates. Therefore the analysis of these alpha-keto acids in the blood may offer important information on the biochemical effects of alcohol in the body. [HMDB] alpha-Ketooctanoic acid is a branched-chain alpha-keto acid. Branched-chain alpha-keto acids are the intermediate metabolites of branched-chain amino acids. Changes in the blood levels of these alpha-keto acids may indicate disturbances in the metabolism of the original substrates. Therefore the analysis of these alpha-keto acids in the blood may offer important information on the biochemical effects of alcohol in the body.
Isobutyric Acid Anhydride
Isobutyric Acid Anhydride, also known as Isobutyrate anhydride, is classified as a dicarboxylic acid or a Dicarboxylic acid derivative. Dicarboxylic acids are organic compounds containing exactly two carboxylic acid groups. Isobutyric Acid Anhydride is considered to be slightly soluble (in water) and basic
cis-4-Hydroxycyclohexylacetic acid
cis-4-Hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (or HPPD) (EC 1.13.11.27), an inborn error of metabolism (PMIDs 701419, 719903) also called hawkinsinuria. 4-Hydroxyphenylpyruvate dioxygenase participates in the tyrosine catabolic pathway by catalyzing the conversion of 4-hydroxyphenylpyruvate to homogentisate (Hager et al., 1957). The mechanism of action of 4-hydroxyphenylpyruvate dioxygenase involves a decarboxylation step and an oxidation step, followed by a rearrangement step to form homogentisic acid (Tomoeda et al., 2000). Awata et al. (1994) determined that the HPD gene contains 14 exons. Analysis of the 5-prime flanking sequence of the gene suggested that expression of the gene is regulated by hepatocyte-specific and liver-enriched transcription factors, as well as by hormones (OMIM: 609695). cis-4-Hydroxycyclohexylacetic acid has also been found to be a microbial metabolite (PMID: 20615997). Cis-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMIDs 701419, 719903)
trans-4-Hydroxycyclohexylacetic acid
trans-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMID: 701419, 719903) [HMDB] trans-4-hydroxycyclohexylacetic acid is a tyrosine metabolite that has been found in the urine of a patient with a defect of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27), an inborn error of metabolism. (PMID: 701419, 719903).
3-Oxooctanoic acid
3-Oxo-Octanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enzymes; beta-ketoacyl-acyl-carrier- protein synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier- protein synthase II. [HMDB] 3-Oxo-Octanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors. It is involved in the fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enzymes; beta-ketoacyl-acyl-carrier- protein synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier- protein synthase II.
6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane
6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane is found in herbs and spices. 6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane is a constituent of the flowers of Jasminum sambac (Arabian jasmine)
1-Methyl-2-oxopropyl butyrate
1-Methyl-2-oxopropyl butyrate is a flavouring ingredien Flavouring ingredient
2-Methylpropyl 3-oxobutanoate
2-Methylpropyl 3-oxobutanoate is a flavouring ingredient. Flavouring ingredient
3-Methylbutyl 2-oxopropanoate
3-Methylbutyl 2-oxopropanoate is a flavouring ingredient. Flavouring ingredient
Butyl acetoacetate
Butyl acetoacetate is a flavouring agent. Flavouring agent
Propyl levulinate
Propyl levulinate is a caramellic flavouring agent. [CCD]. Caramellic flavouring agent [CCD]
5-Butyl-1,4-dioxan-2-one
5-Butyl-1,4-dioxan-2-one belongs to the family of 1,4-Dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4
6-Butyl-1,4-dioxan-2-one
6-Butyl-1,4-dioxan-2-one belongs to the family of 1,4-Dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
1-Benzylimidazole
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
1-Benzylimidazole
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
(3R)-3-((1R)-1-hydroxyethyl)-4,4-dimethyl-4-butyrolactone
(E)-ethyl 5-hydroxyhex-2-enoate|(E)-ethyl-5-hydroxy-2-hexenoate|5-hydroxy-hex-2-enoic acid ethyl ester|5-Hydroxy-hex-2-ensaeure-aethylester|ethyl 5-hydroxyhex-2-enoate
Silane, (3-fluorobicyclo[1.1.1]pent-1-yl)trimethyl- (9CI)
(4,5-DICHLORO-1H-IMIDAZOL-1-YL)(2-THIENYL)METHANONE
(1s,2s)-trans-2-hydroxy-cyclopentanecarboxylic acid ethyl ester
1H-Imidazole-4-carboxylicacid,2-hydrazino-4,5-dihydro-,methylester(9CI)
(4R,5R)-[5-(4-IODOPHENYL)-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL]METHANOL
5-Acetamidopentanoate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 6-acetamido-2-oxopentanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2E,7R)-7-hydroxyoct-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-oct-2-enoic acid in which the hydrogen at the 7-pro-R position is replaced by a hydroxy group.
3-Oxooctanoic acid
A derivative of octanoic acid carrying a beta-oxo group; a possible metabolite of 2-octynoic acid.
Isobutyric acid anhydride
An acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism.
N-isovalerylglycinate
A monocarboxylic acid anion that is the conjugate base of N-isovalerylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-(4-methylphenyl)-1h-imidazole
{"Ingredient_id": "HBIN004475","Ingredient_name": "2-(4-methylphenyl)-1h-imidazole","Alias": "NA","Ingredient_formula": "C10H10N2","Ingredient_Smile": "CC1=CC=C(C=C1)C2=NC=CN2","Ingredient_weight": "158.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9052","PubChem_id": "594045","DrugBank_id": "NA"}
