title: Analysis of phenolic choline esters from seeds of Arabidopsis thaliana and Brassica napus by capillary liquid chromatography/electrospray- tandem mass spectrometry.
abstract: Total phenolic choline ester fractions prepared from seeds of Arabidopsis thaliana and Brassica napus were analyzed by capillary LC/ESI-QTOF-MS and direct infusion ESI-FTICR-MS. In addition to the dominating sinapoylcholine, 30 phenolic choline esters could be identified based on accurate mass measurements, interpretation of collision-induced dissociation (CID) mass spectra, and synthesis of selected representatives. The compounds identified so far include substituted hydroxycinnamoyl- and hydroxybenzoylcholines, respective monohexosides as well as oxidative coupling products of phenolic choline esters and monolignols. Phenolic choline esters are well separable by reversed-phase liquid chromatography and sensitively detectable using electrospray ionization mass spectrometry in positive ion mode. CID mass spectra obtained from molecular ions facilitate the characterization of both the type and substitution pattern of such compounds. Therefore, LC/ESI-MS/MS represents a valuable tool for comprehensive qualitative and quantitative analysis of this compound class.
authors.affiliation: Leibniz Institute of Plant Biochemistry, Department of Stress and Developmental Biology, Weinberg 3, 06120 Halle/Saale, Germany. cboettch@ipb-halle.de
authors.forename: Christoph
authors.initials: C
authors.lastname: Böttcher
authors.forename: Edda
authors.initials: E
authors.lastname: von Roepenack-Lahaye
authors.forename: Jürgen
authors.initials: J
authors.lastname: Schmidt
authors.forename: Stephan
authors.initials: S
authors.lastname: Clemens
authors.forename: Dierk
authors.initials: D
authors.lastname: Scheel
mesh_terms: D017360:Arabidopsis / Q000737:chemistry*; D029688:Brassica napus / Q000737:chemistry; D053801:Capillary Electrochromatography; D002794:Choline / Q000032:analysis* / Q000737:chemistry; D004952:Esters / Q000032:analysis* / Q000737:chemistry; D015394:Molecular Structure; D010636:Phenols / Q000032:analysis* / Q000737:chemistry; D012639:Seeds / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization; D053719:Tandem Mass Spectrometry
chemical_list: D004952:Esters; D010636:Phenols; D002794:Choline