title: The use of ultraviolet spectra and chromatographic retention data as an aid to metabolite identification.
abstract: Phenoxypropanolamines and their putative 4-hydroxy metabolites have been chromatographed using reversed-phase HPLC and UV spectra recorded using a linear diode array detector. Analysis of the chromatographic data using the functional group contribution approach allowed peaks to be tentatively characterized as hydroxy metabolites. This characterization was further enhanced by the examination of the UV spectra which showed distinct changes following hydroxylation. Used in combination, the two techniques allow discrimination between the possible isomeric hydroxy metabolites. The chromatographic and spectral changes observed with the relatively complex phenoxypropanolamines can be successfully modelled using simple compounds to further facilitate identification.
authors.affiliation: Drug Kinetics Group, Zeneca Pharmaceuticals, Macclesfield, Cheshire, UK.
authors.forename: B
authors.initials: B
authors.lastname: Law
authors.forename: L E
authors.initials: LE
authors.lastname: Stafford
mesh_terms: D000840:Anisoles / Q000032:analysis / Q000378:metabolism; D002851:Chromatography, High Pressure Liquid; D006900:Hydroxylation; D011412:Propanolamines / Q000032:analysis* / Q000378:metabolism; D013056:Spectrophotometry, Ultraviolet; D013237:Stereoisomerism
chemical_list: D000840:Anisoles; D011412:Propanolamines; C060998:anisole