Exact Mass: 258.2095876
Exact Mass Matches: 258.2095876
Found 447 metabolites which its exact mass value is equals to given mass value 258.2095876,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dibutyl adipate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1038
Diisobutyl adipate
Diisobutyl adipate is a food additive [Goodscents]. Food additive [Goodscents]
13-Apo-beta-carotenone
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Tetradecanedioic acid
Tetradecanedioic acid, also known as 1,14-tetradecanedioate or NSC 9504, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Tetradecanedioic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Tetradecanedioic acid is a C14 dicarboxylic acid. [HMDB] Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions [1].
Ginsenoyne E
Ginsenoyne E is found in tea. Ginsenoyne E is isolated from Panax quinquefolium (American ginseng) and Panax ginseng (ginseng). Isolated from Panax quinquefolium (American ginseng) and Panax ginseng (ginseng). Ginsenoyne E is found in tea.
Linalyl benzoate
Linalyl benzoate is found in herbs and spices. Linalyl benzoate is found in ylang-ylang and tuberose essential oils and mushrooms. Linalyl benzoate is used in perfumery and food flavourin Found in ylang-ylang and tuberose essential oils and mushrooms. It is used in perfumery and food flavouring.
Falcarinolone
Isolated from carrot (Daucus carota) and caraway seed (Carum carvi). Falcarinolone is found in many foods, some of which are root vegetables, caraway, fats and oils, and herbs and spices. Falcarinolone is found in caraway. Falcarinolone is isolated from carrot (Daucus carota) and caraway seed (Carum carvi).
Ginsenoyne A
Ginsenoyne A is found in tea. Ginsenoyne A is isolated from ginseng. Isolated from ginseng. Ginsenoyne A is found in tea.
Flavidulol B
Flavidulol B is found in mushrooms. Flavidulol B is isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Flavidulol B is found in mushrooms.
Flavidulol A
Flavidulol A is found in mushrooms. Flavidulol A is isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Flavidulol A is found in mushrooms.
10-Hydroxymyristic acid methyl ester
10-Hydroxymyristic acid methyl ester is found in cereals and cereal products. 10-Hydroxymyristic acid methyl ester occurs in oat (Avena sativa) leaf wa Occurs in oat (Avena sativa) leaf wax. 10-Hydroxymyristic acid methyl ester is found in oat and cereals and cereal products.
(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol
(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is found in tea. (all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is a constituent of ginseng. Constituent of ginseng. (all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is found in tea.
3-hydroxypentadecanoic acid
3-Hydroxypentadecanoic acid is a long-chain hydroxy fatty acid. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
Geranyl benzoate
Geranyl benzoate is a flavouring ingredient. Flavouring ingredient
Decanoylcholine
Decanoylcholine is a fatty acid-choline as the ester product of Decanoic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. Decanoylcholine is a fatty acid-choline as the ester product of Decanoic acid and cholinel.
Diethyl decanedioate
Diethyl decanedioate is a flavouring ingredient. Flavouring ingredient
Ethyl 3-hydroxytridecanoate
Ethyl 3-hydroxytridecanoate belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate
2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain
1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate
1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.
2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene
2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Flavouring compound [Superscent]
Leucylleucine methyl ester
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol
Versalide
Flavouring compound [Superscent]
(8S,9R,10R,13S,14S)-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene
8-Hydroxyfalcarinone
8-hydroxyfalcarinone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-hydroxyfalcarinone can be found in wild celery, which makes 8-hydroxyfalcarinone a potential biomarker for the consumption of this food product.
Acetyl dehydrorishitinol
Acetyl dehydrorishitinol is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Acetyl dehydrorishitinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Acetyl dehydrorishitinol can be found in potato, which makes acetyl dehydrorishitinol a potential biomarker for the consumption of this food product.
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol benzoate
Flavouring compound [Flavornet]
(E)-2-(1,5-Dimethyl-1,4-hexadienyl)-5-methyl-phenol acetate
1,16-Hexadecanediol
A diol that is hexadecane substituted by hydroxy groups at positions 1 and 16.
Galaxolide
CONFIDENCE standard compound; INTERNAL_ID 2449
2-hydroxypentadecanoic acid
A 2-hydroxy fatty acid that is pentadecanoic acid substituted by a hydroxy group at position 2.
2,7-dimethyl-2-(4-methyl-3-penten-1-yl)-2H-1-benzopyran-5-ol
6E,8E,12E,14E-Hexadecatetraen-10-insaeuremethylester|Me ester-(all-E)-6,8,12,14-Hexadecatetraen-10-ynoic acid
(3S, 8S)-16,17-dehydrofalcarindiol|1,9(Z),16-heptadecatriene-4,6-diyne-3,8-diol|cis-1,9,16-heptadecatriene-4,6-diyne-3,8-diol|cis-16,17-didehydro-falcarindiol|cis-dehydrofalcarindiol|Dehydrofalcarindiol|Heptadeca-1,9(Z),16-trien-4,6-diyn-3,8-diol|heptadeca-1,9c,16-triene-4,6-diyne-3,8-diol
cis-8,9-Epoxy-heptadeca-1,15-dien-11,13-diin-10-ol
6R-Hydroxy-(4R,6R)-Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one
(+/-)-lycoposerramine R|(4aS,6R,7aS,12bS)-1,2,3,4,4a,5,6,7,7a,8-decahydro-6-methylpyrido[2,3:4,5]-cyclopenta[1,2-c]-quinolin-10(9H)-one|lycoposerramine-R
(all-E)-octadeca-2,9,11,13,15-pentaenal|pseudogynoxal
nigerazine B
An enamide obtained by formal condensation of the carboxy group of trans-cinnamic acid with the secondary amino group of (2S,5R)-1,2,5-trimethylpiperazine.
Debromlaurinterolacetat|debromolaurinterol acetate
(Z)-15-Hydroxy-9,16-heptadecadiene-11,13-diyn-8-one
15-hydroxy-heptadeca-8c,16-diene-11,13-diyn-7-one|Heptadeca-1,8c-dien-4,6-diin-3-ol-10-on
Debromoisolaurinterol|debromoisolaurinterol acetate
(E,E)-17-Hydroxy-7,9-heptadecadiene-11,13-diyn-6-one
(E,E)-17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one|17-hydroxy-heptadeca-7t,9t-diene-11,13-diyn-4-one
(2E)-2-(3,7-dimethylocta-2,6-dienyl)-6-methyl-2,5-cyclohexadiene-1,4-dione|1,4-Quinone-(E)-2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol
De-N-methyl-beta-obscurine|des-N-methyl-beta-obscurine|huperzine B|N-demethyl-beta-obscurine
(2S,3R,5S)-(-)-2,3-dihydroxytetradecan-5-olide|(3S,4R,6S)-3,4-dihydroxy-6-nonyltetrahydro-2H-pyran-2-one|2,3-dihydroxy-5-nonyltetrahydro-2H-pyranone|2,3-dihydroxytetradecan-5-olide
(9Z,11Z)-heptadeca-1,9,11-triene-4,6-diyne-3,8-diol
octadeca-9c,16t-diene-12,14-diyn-1-ol|Octadeca-9c-16t-dien-12,14-diin-1-ol|Octadecadien-(9cis.16trans)-diin-(12.14)-ol
4-(Hydroxymethyl)-3-(1-hydroxy-7-methyloctyl)oxolan-2-one
15-Hydroxypentadecanoic acid
An omega-hydroxy fatty acid that is pentadecanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
(-)-sequosempervirin A|(4R)-4-(4-hydroxybenzyl)spiro[4,5]dec-1-en-8-ol|(4R,5r,8R)-4-(4-hydroxybenzyl)spiro[4.5]dec-1-en-8-ol|sequosempervirin A
methyl 11-hydroxy-10-methyl-4-oxododecanoate
TETRADECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions [1].
methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based: Match]
methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based on: CCMSLIB00000848759]
Tonalid
D003358 - Cosmetics CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10718; ORIGINAL_PRECURSOR_SCAN_NO 10713 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10768; ORIGINAL_PRECURSOR_SCAN_NO 10767 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10782; ORIGINAL_PRECURSOR_SCAN_NO 10781 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10822; ORIGINAL_PRECURSOR_SCAN_NO 10818 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10833; ORIGINAL_PRECURSOR_SCAN_NO 10831 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10840; ORIGINAL_PRECURSOR_SCAN_NO 10839
(E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-en-1-ol
Decanoylcholine
An acylcholine obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of choline.
Geranyl benzoate
A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of geraniol.
Flavidulol B
(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol
FA 14:1;O2
Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions [1].
Xibornol
C254 - Anti-Infective Agent > C258 - Antibiotic
trans-2-(4-Ethylphenyl)vinylboronic acid pinacol ester
TERT-BUTYL 3-((2-METHOXYETHYL)AMINO)PIPERIDINE-1-CARBOXYLATE
1-BOC-3-[(2-METHOXY-ETHYLAMINO)-METHYL]-PYRROLIDINE
1-Boc-4-methylpiperidine-4-carboxylic acid methyl ester
2-CYCLOPENTYL-5-METHOXY-6,7-DIMETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE
Butanedioic acid,2,3-bis(1-methylethyl)-,1,4-diethylester
3-(3-METHOXYPROPYLAMINO)PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2,3-dihydrospiro[indene-1,2-pyrrolidine]-6-yl)Morpholine
TERT-BUTYL (1-(2-HYDROXYPROPYL)PIPERIDIN-4-YL)CARBAMATE
2-cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one
(2Z,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
tert-butyl N-[1-amino-3-(oxan-3-yl)propan-2-yl]carbamate
1-[2-[[2-[[2-[(2-aminoethyl) amino]ethyl]amino] ethyl] amino]ethyl]-Piperazine
1-[2-[(2-aminoethyl)[2-[(2-aminoethyl)amino]ethyl] amino]ethyl]-Piperazine
1-[2-[[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]-Piperazine
1H-1-Benzazepine-1-carboxamide,N-cyclopentyl-2,3,4,5-tetrahydro-(9CI)
(+)-1,2-bis((2r,5r)-2,5-dimethylphospholano)ethane
Poly(propylene glycol) 4-nonylphenyl ether acrylate
1-BOC-BETA-OXO-3-PIPERIDINEPROPANOIC ACID METHYL ESTER
8a-(4-tert-butylphenyl)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrimidine
(-)-1,2-bis-((2S,5S)-2,5-Dimethylphospholano)ethane
buta-1,3-diene, methyl 2-methylprop-2-enoate, styrene
Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Menthol propylene glycol carbonate
Flavouring agent with cooling taste for chewing gum and candies
Leucylleucine methyl ester
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
(2E)-3-phenyl-1-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
2,7-Dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-ol
8-Ethyl-1,3,4,6,7,8-hexahydro-4,6,6,8-tetramethylcyclopenta[G]-2-benzopyran
Methacrylic 10-mercapto-1-decanyl ester
C14H26O2S (258.16534160000003)
4-[(1s,2r,5s)-4,4,8-Trimethyl-3-Oxabicyclo[3.3.1]non-7-En-2-Yl]phenol
(3R,4R)-4-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methyloctyl]oxolan-2-one
[3-carboxy-2-[(E)-hex-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-hex-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-hex-3-enoyl]oxypropyl]-trimethylazanium
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxooct-4-enyl]-trimethylazanium
(2E)-3-phenyl-1-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
(14R)-14-hydroxypentadecanoic acid
An (omega-1)-hydroxy fatty acid that is pentadecanoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group.
4-(Hydroxyimino)-2,2,6,6-tetramethyl-1-piperidinol, TMS derivative
3-Methyl-3-(1-ethyl-1,3,3-trimethylindan-5-yl)propanal
Carbonic acid, 2-hydroxypropyl 5-methyl-2-(1-methylethyl)cyclohexyl ester
Ethyl 3-hydroxytridecanoate
A long-chain fatty acid ethyl ester of 3-hydroxytridecanoic acid.
1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate
nigerazine A
An enamide obtained by formal condensation of the carboxy group of trans-cinnamic acid with the secondary amino group of (2R,5R)-1,2,5-trimethylpiperazine.
11-methyl-6,14-diazatetracyclo[7.6.2.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6-trien-5-ol
(1z)-2-[(2s,3s)-3-hydroxy-1-methoxybutan-2-yl]-1-[(1z)-oct-1-en-1-yl]diazen-1-ium-1-olate
(1s,4r,5r,9r,10r,13r)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
(1s,4as,10ar)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
(2e,8s,9z)-heptadeca-2,9,16-trien-4,6-diyne-1,8-diol
1λ⁵-azabicyclo[13.3.1]nonadeca-1(18),7,15(19),16-tetraen-1-ylium
[C18H28N]+ (258.22216280000004)
(3e)-2-methyl-4-{3-[2-(methylamino)ethyl]-1h-indol-4-yl}but-3-en-2-ol
4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzaldehyde
(8e,10e,14s)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
2,10,11-trihydroxy-6,6-dimethyl-7-methylideneundecan-3-one
(1s,4s,5r,9r,10r,13r)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
4-[(1e,3s)-3-ethenyl-3,7-dimethyloct-1-en-1-yl]phenol
(1r,9s,10r,11r,16r)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-trien-11-ol
(3r,4r)-3-[(1r)-1-hydroxy-6-methyloctyl]-4-(hydroxymethyl)oxolan-2-one
1-(3-methyloxiran-2-yl)tetradeca-6,13-dien-1,3-diyn-5-ol
3r,8r-dehydrofalcarindiol
{"Ingredient_id": "HBIN009568","Ingredient_name": "3r,8r-dehydrofalcarindiol","Alias": "NA","Ingredient_formula": "C17H22O2","Ingredient_Smile": "C=CCCCCCC=CC(C#CC#CC(C=C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4912","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-2,8-dimethyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran
{"Ingredient_id": "HBIN012393","Ingredient_name": "6-hydroxy-2,8-dimethyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran","Alias": "NA","Ingredient_formula": "C17H22O2","Ingredient_Smile": "NA","Ingredient_weight": "258.36","OB_score": "NA","CAS_id": "203443-33-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7553","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6r)-6-[(1r,2s,4s)-2-hydroxy-4-methylcyclohexyl]-2-methylheptane-2,3-diol
(5s,6z)-1-(3-methyloxiran-2-yl)tetradeca-6,13-dien-1,3-diyn-5-ol
(7z)-1λ⁵-azabicyclo[13.3.1]nonadeca-1(18),7,15(19),16-tetraen-1-ylium
[C18H28N]+ (258.22216280000004)