title: Drug metabolite profiling and identification by high-resolution mass spectrometry.
abstract: Mass spectrometry plays a key role in drug metabolite identification, an integral part of drug discovery and development. The development of high-resolution (HR) MS instrumentation with improved accuracy and stability, along with new data processing techniques, has improved the quality and productivity of metabolite identification processes. In this minireview, HR-MS-based targeted and non-targeted acquisition methods and data mining techniques (e.g. mass defect, product ion, and isotope pattern filters and background subtraction) that facilitate metabolite identification are examined. Methods are presented that enable multiple metabolite identification tasks with a single LC/HR-MS platform and/or analysis. Also, application of HR-MS-based strategies to key metabolite identification activities and future developments in the field are discussed.
authors.affiliation: Bristol-Myers Squibb Pharmaceutical Company, Princeton, New Jersey 08543, USA.
authors.forename: Mingshe
authors.initials: M
authors.lastname: Zhu
authors.forename: Haiying
authors.initials: H
authors.lastname: Zhang
authors.forename: W Griffith
authors.initials: WG
authors.lastname: Humphreys
mesh_terms: D000818:Animals; D057225:Data Mining; D006801:Humans; D013058:Mass Spectrometry / Q000379:methods*; D004364:Pharmaceutical Preparations / Q000032:analysis / Q000378:metabolism*; D013223:Statistics as Topic
chemical_list: D004364:Pharmaceutical Preparations