title: The rapid identification of a new metabolite of warfarin via a chemical ionization mass spectrometry ion doublet technique.
abstract: An ion doublet chemical ionization mass spectrometry technique was utilized for the rapid detection and elucidation of the structure of a new hydroxylated metabolite of the oral anticoagulant warfarin. This technique involves the use of a 50:50 mixture of stable isotope labeled and unlabeled drug. With this procedure ions found in the mass spectrum which are associated with the administered drug can be identified unambiguously. The unknown metabolite from rat liver microsomal preparations was identified as benzylic hydroxywarfarin by reincubating the microsomes with warfarin specifically labeled in the benzylic position and observing the subsequent loss of label in the product. The ion doublet technique was also employed in a single human study, and benzylic hydroxywarfarin was detected and identified.
mesh_terms: D000818:Animals; D002247:Carbon Isotopes; D002250:Carbon Radioisotopes; D003903:Deuterium; D006801:Humans; D006900:Hydroxylation; D008297:Male; D013058:Mass Spectrometry / Q000379:methods*; D008862:Microsomes, Liver / Q000378:metabolism*; D051381:Rats; D013237:Stereoisomerism; D014859:Warfarin / Q000031:analogs & derivatives* / Q000096:biosynthesis / Q000378:metabolism / Q000652:urine
chemical_list: D002247:Carbon Isotopes; D002250:Carbon Radioisotopes; D014859:Warfarin; D003903:Deuterium