Exact Mass: 226.1544
Exact Mass Matches: 226.1544
Found 193 metabolites which its exact mass value is equals to given mass value 226.1544,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
4,4-Methylene di-o-toluidine
CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5346; ORIGINAL_PRECURSOR_SCAN_NO 5344 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5297; ORIGINAL_PRECURSOR_SCAN_NO 5295 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5346; ORIGINAL_PRECURSOR_SCAN_NO 5345 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5344; ORIGINAL_PRECURSOR_SCAN_NO 5342 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5314; ORIGINAL_PRECURSOR_SCAN_NO 5313 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5349; ORIGINAL_PRECURSOR_SCAN_NO 5348 CONFIDENCE standard compound; INTERNAL_ID 4142
6-Methylergoline
An ergoline alkaloid obtained by selective methylation of the N-6 position of ergoline.
Methyl dihydrojasmonate
Methyl dihydrojasmonate is a flavouring ingredient.Methyl dihydrojasmonate is an ester and a diffusive aroma compound, with the smell vaguely similar to jasmin. In racemic mixtures the odour is floral and citrus while epimerized mixtures exhibit a dense fatty floral odour with odor recognition thresholds of 15 part per billion Flavouring ingredient [DFC] Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
4,5-Dihydrovomifoliol
4,5-Dihydrovomifoliol is found in alcoholic beverages. 4,5-Dihydrovomifoliol is a constituent of Vitis vinifera grapes and Riesling wine. Constituent of Vitis vinifera grapes and Riesling wine. 4,5-Dihydrovomifoliol is found in alcoholic beverages and fruits.
Riesling acetal
Riesling acetal is found in alcoholic beverages. Riesling acetal is a constituent of Riesling wine. Constituent of Riesling wine. Riesling acetal is found in alcoholic beverages.
Pirlindole
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D000970 - Antineoplastic Agents
3,9-Dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
It is used as a food additive .
Methyl dihydroepijasmonate
Flavouring compound [Flavornet]
N-Desmethylpheniramine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3420 CONFIDENCE standard compound; INTERNAL_ID 2122
N-Isopropyl-N-phenyl-p-phenylenediamine
D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 2425
(2R*,4S*,5E)-2-hydroxy-7-isopropyl-4-methyl-5-nonen-4-olide|(2R*,4S*,5E,7xi)-5-(3-Ethyl-4-methyl-1-pentenyl)-4,5-dihydro-3-hydroxy-5-methyl-2(3H)furanone
(2R*)-1-[(1S*,4S*,5S*,8R*)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]oct-4-yl]-2-methylbutan-1-one|colomitide A
(3S,5R,6R)-5,6-dihydro-5-hydroxy-3,6-epoxy-pi-ionol|5,6-Dihydro 5-hydroxy-3,6-epoxy-beta-ionol
4R-hydroxy-4-(9S-hydroxy-12-methylhexan-6-yl)-3-methylcyclopent-2-enone
(2R,3R,4S,5R)-3-hydroxy-2,4-dimethyl-5-[(S,Z)-3-methylpentenyl]-tetrahydro-pyranone
1,5,5-Trimethyl-6-(3,4-dihydroxybutyl)-1-cyclohexene-3-one
(-)-(5R,6R)-5,6-dihydroxy-5,6-dihydro-beta-ionone|5,6-dihydroxy-5,6-dihydro-beta-jonone|dihydroxy-beta-ionone
3alpha,5beta-dihydroxy-4alpha,11-epoxybisnorcadinane
Blumenol B
9-Epiblumenol B is a sesquiterpenoid. 9-Epiblumenol B is a natural product found in Phyllanthus polyphyllus and Phyllanthus lawii with data available.
Methyl_dihydrojasmonate
Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate is a lipid. It is functionally related to a jasmonic acid. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
Hedione
Acquisition and generation of the data is financially supported in part by CREST/JST. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
N-isopropyl-N-phenyl-p-phenylenediamine
D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 4137
Methyl dihydrojasmonate
Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one
2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
NPE_227.1543_9.6
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1100
C13H22O3_2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl
DIHYDROJASMONIC ACID, METHYL ESTER
Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
2-[3-(Acetyloxy)-1-methylpropyl]-5-methylcyclohexanone
1-(1,3-BENZODIOXOL-5-YL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
1-(5,5,8a-Trimethyl-3,5,6,7,8,8a-hexahydro-1,2-benzodioxin-3-yl)ethanol
6-[(1E)-3-Hydroxy-1-butenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
2,6,6-Trimethyl-1,2-epoxy-1-(4-hydroxy-2,3-epoxybutan-1-yl)cyclohexane
2-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S-cis)-
Pirlindole
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D000970 - Antineoplastic Agents
1,2,3,4,8,9,10,11-octahydro-[1,4]diazepino[6,7,1-jk]carbazole
Methyl (1S,2R,4S,(4A)R,(8A)R)-decahydro-4-hydroxy-2-methylnaphthalen-1-carboxylate
4-Hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
methyl 2-[3-hydroxy-2-(pent-2-en-1-yl)cyclopentyl]acetate
(4s,5s)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexan-1-one
(4s)-4-hydroxy-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
(2e,7s,8s,11e)-7,8-dihydroxytrideca-2,11-dien-6-one
(1r,3s)-6-[(3r)-3-hydroxybut-1-en-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol
4-hydroxy-3,5-dimethyl-6-(3-methylpent-1-en-1-yl)oxan-2-one
5-ethyl-4-hydroxy-3-methoxy-5-methyl-2-(sec-butyl)cyclopent-2-en-1-one
4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one
6-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol
(4s,6r)-6-hydroxy-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
(5r)-3-[(1r)-1-hydroxyoctyl]-5-methyl-5h-furan-2-one
2-hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin
{"Ingredient_id": "HBIN005709","Ingredient_name": "2-hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC1(C(CCC2(C13CCC(C2)OO3)C)O)C","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40808","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538297","DrugBank_id": "NA"}
(2r,6r,9r)-2,9-dihydroxy-4-megastigmen-3-one
{"Ingredient_id": "HBIN006530","Ingredient_name": "(2r,6r,9r)-2,9-dihydroxy-4-megastigmen-3-one","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC1=CC(=O)C(C(C1CCC(C)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5957","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r,6s,7 e,9r)-5,6-epoxy-3,9-dihydroxy-7-megastigmene
{"Ingredient_id": "HBIN009657","Ingredient_name": "(3s,5r,6s,7 e,9r)-5,6-epoxy-3,9-dihydroxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=CC12C(CC(CC1(O2)C)O)(C)C)O","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7078","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "23251169","DrugBank_id": "NA"}
(3S, SR, 6S, 7E,9R)-5, 6-epoxy-3, 9-dihydroxy-7-megastigmene
{"Ingredient_id": "HBIN009732","Ingredient_name": "(3S, SR, 6S, 7E,9R)-5, 6-epoxy-3, 9-dihydroxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=CC12C(CC(CC1(O2)C)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41392","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
annuionone e
{"Ingredient_id": "HBIN016243","Ingredient_name": "annuionone e","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(CCC1C2(CC(=O)CC1(OC2)C)C)O","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1336","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101260349","DrugBank_id": "NA"}
annuionone g
{"Ingredient_id": "HBIN016245","Ingredient_name": "annuionone g","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=C=C1C(CC(CC1(C)O)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1338","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
