title: Maximizing automation in LC/MS high-throughput analysis and purification.
abstract: Here, we describe a system for LC/MS-based analysis and purification of compounds aiming at the minimization of manual interference in the overall process. Key elements of the concept are automated identification of the target compounds, automated assignment of optimized preparative gradients for purification of the target compounds, and automated purity assessment of fractions with subsequent pooling of validated product fractions. Additional support is provided by an automated solvent and waste management system. One person can easily process 100-200 compounds on a 150-mg scale per day on that system, while still the maximization of purity and yield after purification is guaranteed. Reduced demands with respect to purity or yield can lead to significantly higher throughput numbers.
authors.affiliation: Medicinal Chemistry, Schering AG, 13342 Berlin, Germany. Marcus.Koppitz@schering.de
authors.forename: Marcus
authors.initials: M
authors.lastname: Koppitz
authors.forename: Andrew
authors.initials: A
authors.lastname: Brailsford
authors.forename: Marion
authors.initials: M
authors.lastname: Wenz
mesh_terms: D001331:Automation; D002626:Chemistry, Pharmaceutical / Q000295:instrumentation / Q000379:methods; D002853:Chromatography, Liquid / Q000379:methods*; D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D004364:Pharmaceutical Preparations / Q000032:analysis; D012984:Software; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013997:Time Factors
chemical_list: D004364:Pharmaceutical Preparations