title: Negative ion electrospray mass spectrometry of neoflavonoids.
abstract: The electrospray ionisation mass spectra of the neoflavanoids brazilin and hematoxylin are reported in both their reduced (1 and 2, respectively) and their oxidised forms (3 and 4, respectively). In the reduced forms, breakdown pathways under collision induced decomposition (CID) conditions produce fragments characteristic of rings A and C; in their oxidised forms, the fragments are characteristic of rings B and D. The structural assignments of the fragments are substantiated by recording the spectra after deuterium exchange at the hydroxyl groups.
authors.affiliation: School of Chemistry, The University of Edinburgh, West Mains Road, Edinburgh EH9 3JJ, UK. Alison.Hulme@ed.ac.uk
authors.forename: Alison N
authors.initials: AN
authors.lastname: Hulme
authors.forename: Hamish
authors.initials: H
authors.lastname: McNab
authors.forename: David A
authors.initials: DA
authors.lastname: Peggie
authors.forename: Anita
authors.initials: A
authors.lastname: Quye
mesh_terms: D001578:Benzopyrans / Q000737:chemistry; D005419:Flavonoids / Q000737:chemistry*; D006416:Hematoxylin / Q000031:analogs & derivatives / Q000737:chemistry; D007192:Indenes / Q000737:chemistry; D015394:Molecular Structure; D010084:Oxidation-Reduction; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D001578:Benzopyrans; D005419:Flavonoids; D007192:Indenes; C050295:brazilein; C007915:hematein; C044362:brazilin; D006416:Hematoxylin