title: A novel compact mass detection platform for the open access (OA) environment in drug discovery and early development.
abstract: A new 'compact mass detector' co-developed with an instrument manufacturer (Waters Corporation) as an interface for liquid chromatography (LC), specifically Ultra-high performance LC(®) (UPLC(®) or UHPLC) analysis was evaluated as a potential new Open Access (OA) LC-MS platform in the Drug Discovery and Early Development space. This new compact mass detector based platform was envisioned to provide increased reliability and speed while exhibiting significant cost, noise, and footprint reductions. The new detector was evaluated in batch mode (typically 1-3 samples per run) to monitor reactions and check purity, as well as in High Throughput Screening (HTS) mode to run 24, 48, and 96 well plates. The latter workflows focused on screening catalysis conditions, process optimization, and library work. The objective of this investigation was to assess the performance, reliability, and flexibility of the compact mass detector in the OA setting for a variety of applications. The compact mass detector results were compared to those obtained by current OA LC-MS systems, and the capabilities and benefits of the compact mass detector in the open access setting for chemists in the drug discovery and development space are demonstrated.
authors.affiliation: Department of Process and Analytical Chemistry, Merck & Co. Inc., Rahway, New Jersey 07065, USA.
authors.forename: Junling
authors.initials: J
authors.lastname: Gao
authors.affiliation: Department of Process and Analytical Chemistry, Merck & Co. Inc., Rahway, New Jersey 07065, USA. Electronic address: scott_ceglia@merck.com.
authors.forename: Scott S
authors.initials: SS
authors.lastname: Ceglia
authors.affiliation: Analytical and Environmental Sciences, School of Biomedical Sciences, King's College, London, SE1 9NH, UK; Waters Corporation, Milford, MA 01757 USA. Electronic address: Michael_D_Jones@waters.com.
authors.forename: Michael D
authors.initials: MD
authors.lastname: Jones
authors.affiliation: Waters Corporation, Milford, MA 01757 USA.
authors.forename: Jennifer
authors.initials: J
authors.lastname: Simeone
authors.affiliation: Waters Corporation, Milford, MA 01757 USA.
authors.forename: John Van
authors.initials: JV
authors.lastname: Antwerp
authors.affiliation: Department of Process and Analytical Chemistry, Merck & Co. Inc., Rahway, New Jersey 07065, USA.
authors.forename: Li-Kang
authors.initials: LK
authors.lastname: Zhang
authors.affiliation: Department of Process and Analytical Chemistry, Merck & Co. Inc., Rahway, New Jersey 07065, USA.
authors.forename: Charles W
authors.initials: CW
authors.lastname: Ross
authors.affiliation: Department of Process and Analytical Chemistry, Merck & Co. Inc., Rahway, New Jersey 07065, USA.
authors.forename: Roy
authors.initials: R
authors.lastname: Helmy
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000295:instrumentation* / Q000379:methods*; D055808:Drug Discovery / Q000295:instrumentation* / Q000379:methods*; D013058:Mass Spectrometry / Q000295:instrumentation* / Q000379:methods*; D015203:Reproducibility of Results
keywords: Compact mass detector; Development; Drug discovery; Open-access; Process; UPLC-MS