title: Characterization of phenolic composition in Lamiaceae spices by LC-ESI-MS/MS.
abstract: A total of 38 phenolic compounds in the solid/liquid extracts of five Lamiaceae spices, rosemary, oregano, sage, basil, and thyme, were identified in the present study using LC-ESI-MS/MS. These compounds were distributed in four major categories, namely, hydroxycinnamic acid derivatives, hydroxybenzoic acid derivatives, flavonoids, and phenolic terpenes. Among them, the category of flavonoids was the largest, with 17 compounds. Identification of the phenolic compounds was carried out by comparing retention times and mass spectra with those of authentic standards. If standards were unavailable, phenolic compounds were identified on the basis of accurate mass of pseudomolecular [M - H](-) ions and tandem mass spectrometry (MS/MS) data. The results of accurate mass measurements fit well with the elemental composition of the compounds. The diagnostic fragmentation patterns of the compounds during collision-induced dissociation (CID) elucidated the structural information of the compounds analyzed.
authors.affiliation: School of Food Science and Environmental Health, Cathal Brugha Street, Dublin Institute of Technology, Dublin, Ireland.
authors.forename: Mohammad B
authors.initials: MB
authors.lastname: Hossain
authors.forename: Dilip K
authors.initials: DK
authors.lastname: Rai
authors.forename: Nigel P
authors.initials: NP
authors.lastname: Brunton
authors.forename: Ana B
authors.initials: AB
authors.lastname: Martin-Diana
authors.forename: Catherine
authors.initials: C
authors.lastname: Barry-Ryan
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003373:Coumaric Acids / Q000032:analysis; D005419:Flavonoids / Q000032:analysis; D062385:Hydroxybenzoates / Q000032:analysis; D019686:Lamiaceae / Q000737:chemistry*; D018649:Ocimum basilicum / Q000737:chemistry; D031341:Origanum / Q000737:chemistry; D010636:Phenols / Q000032:analysis*; D027542:Rosmarinus / Q000737:chemistry; D027543:Salvia officinalis / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D017365:Spices / Q000032:analysis*; D053719:Tandem Mass Spectrometry; D013729:Terpenes / Q000032:analysis; D046930:Thymus Plant / Q000737:chemistry
chemical_list: D003373:Coumaric Acids; D005419:Flavonoids; D062385:Hydroxybenzoates; D010636:Phenols; D013729:Terpenes