February 2004 Meeting Announcement, Delaware Valley Mass Spectrometry Discussion Group
- Topic: "Structure Elucidation of Multi-component Samples by
use of One and Two- Dimensional FT/ICR MS/MS Methods
- Speaker:Charles W. Ross , Merck &Co. Inc., MRL-Dept. of Medicinal Chemistry - Research Mass Spectrometry
- Date: Monday, February 9, 2004. 6:30 PM
- Time: Social Hour: 6:30 PM. (Pizza)
Talk: 7:30 PM.
- Place: Widener University, Webb Room.
In the pharmaceutical industry, drug discovery has been expedited by innovations in combinatorial synthesis which provide structurally diverse libraries. These libraries allow the chemist to synthesize, and thus screen, a multitude of compounds in a short time. Characterization of these multi-component samples is most often based upon high performance liquid chromatography/ mass spectrometry (HPLC/MS) utilizing electrospray or atmospheric pressure chemical ionization. This methodology works well for those samples in which the compounds can be chromatographically separated. But developing chromatographic methods to separate large numbers of components, often 50 -200, can prove difficult. The capabilities of Fourier transform ion cyclotron resonance mass spectrometry and its high resolving power provide a unique way in which to characterize these samples without the need for chromatographic separation.
This presentation will examine the benefits and shortcomings of FTICR MS for the analysis of complex mixtures. The characterization of these samples is predicated upon accurate mass measurement and the stable isotope distribution matching of all molecular ions in one mass spectrum. Further identification is afforded from accurate mass measurements of all product ions obtained from MS/MS methodologies.
Although the speed of simultaneous molecular ion analysis is lost when one must isolate each molecular ion for subsequent MS/MS in turn, product ion accurate mass measurement provides an increased level of confidence in characterizing these complex mixtures. Finally, we will examine a novel method in which the multiplex advantage normally attributed to standard FTICR MS analysis is now realized in the MS/MS domain through Stored Waveform Ion Modulation (SWIM) 2D-FTICR MS such that simultaneous fragmentation of all ions is deconvoluted in an automated experiment. The final result is total assignment of product ions for each precursor ion in a mixture.
- Bio:Charles W. Ross III, born in Lakemore Ohio, graduated from The University of Akron in 1988 with his B.S. in Chemistry. He specialized in environmental analytical chemistry under the advisement of Prof. James K. Hardy, and received a letter of commendation from the Village of Lakemore for his heavy metal pollutant analysis of Springfield Lake. He then moved on to The Ohio State University, where he received his Ph.D. in Analytical Chemistry - Mass Spectrometry with Professor Alan G. Marshall in 1993. His dissertation focused on gas phase reactions of carbenes and new methods to characterize complex mixtures by Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). After a 16 month appointment at the National High Magnetic Field Laboratory - Tallahassee, FL, Chuck spent 1995 as a visiting scientist at DuPont Automotive Finishes - Marshall Research Laboratories in Philadelphia, PA. During this time, he conducted research in coatings technology, and polymeric analysis with Dr. William J. Simonsick Jr.. Since 1996, Chuck has been with the Research Mass Spectrometry Laboratory - Department of Medicinal Chemistry, Merck Research Labs, Merck & Co. Inc. West Point, PA with Dr. Harri Ramjit. Building upon his previous expertise in FTICR MS and complex mixture analysis, Chuck's work focuses on characterizing targeted compounds, unknown by-products, and complex mixtures developed from combinatorial chemistries by use of accurate mass measurement and MS/MS methodologies.
Dr. Ross served as an instructor for the American Society of Mass Spectrometry 2000 Fall Workshop on Biological FTICR MS, and was on the board of The Delaware Valley Mass Spectrometry Discussion Group from 1999-2002, which he Chaired in 2001. He is currently serving a three year term as the Chairperson for the FTICR MS Discussion Group of ASMS. In 2003, Dr. Ross was one of 5 scientists selected as a National Tour Speaker for the Society of Applied Spectroscopy. He has authored or co-authored 11 papers, given 12 invited talks, and 17 presentations at mass spectrometry meetings. In his free time, Chuck enjoys golf, bowling, darts, and the history of submarines.
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