title: Chromatographic analysis of compounds of pharmaceutical interest.
abstract: A set of 17,600 samples belonging to our compound collection is selectively examined by liquid chromatography with UV, evaporative light scattering, and mass spectrometric detection methods. At least 70% of this set consists of pure samples with the expected structures. Subsequent studies by flow injection mass spectrometry show that this value is a conservative estimate and that the actual percentage of pure and correct compounds is close to 80%. Because this is the first time that sample quality information becomes available on such a large scale for the compound collection, it offers an opportunity to perform chemi-informatic studies for which structural integrity is essential. Results of these studies can be used to improve the selection of compounds for screening and evaluate the quality of compounds from particular sources.
authors.affiliation: Discovery Technologies, Pharmacia, Kalamazoo, MI 49007, USA.
authors.forename: M S
authors.initials: MS
authors.lastname: Kuo
authors.forename: F B
authors.initials: FB
authors.lastname: Shilliday
authors.forename: D A
authors.initials: DA
authors.lastname: Yurek
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D017022:Flow Injection Analysis; D008027:Light; D013058:Mass Spectrometry; D004364:Pharmaceutical Preparations / Q000032:analysis*; D013056:Spectrophotometry, Ultraviolet
chemical_list: D004364:Pharmaceutical Preparations