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FTICR-mass spectrometry for high-resolution analysis in combinatorial chemistry
D G Schmid1, P Grosche, H Bandel
1Institute for Organic Chemistry, University of Tübingen, Germany.
Biotechnology and Bioengineering
|April 5, 2001
Summary
Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) offers high-resolution analysis for diverse compound libraries in drug discovery. This technique enhances the analysis of complex mixtures generated by combinatorial chemistry.
Area of Science:
- Analytical Chemistry
- Organic Chemistry
- Pharmaceutical Sciences
Background:
- Combinatorial organic chemistry generates vast compound libraries for drug discovery.
- Analyzing these large, diverse compound collections presents significant analytical challenges.
- Traditional methods struggle with the complexity and scale of these libraries.
Purpose of the Study:
- To review the applications of Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) in combinatorial chemistry.
- To highlight FTICR-MS as a powerful tool for analyzing complex compound mixtures.
- To demonstrate the utility of FTICR-MS in pharmaceutical lead structure identification.
Main Methods:
- Utilizing FTICR-MS for high mass resolution, high mass accuracy, and high sensitivity analysis.
- Coupling FTICR-MS with electrospray ionization (ESI) for high-throughput analysis via flow-injection analysis (FIA).
- Integrating FTICR-MS with separation techniques like high-performance liquid chromatography (HPLC) and capillary electrophoresis (CE).
- Employing tandem mass spectrometry (MS(n)) for structural verification through ion decomposition.
Main Results:
- FTICR-MS provides unprecedented capabilities for analyzing complex mixtures from combinatorial chemistry.
- The combination of FTICR-MS with ESI and separation techniques enables efficient and detailed analysis.
- High mass accuracy and resolution facilitate the identification and characterization of individual compounds within libraries.
- MS(n) experiments allow for structural elucidation and verification of potential lead compounds.
Conclusions:
- FTICR-MS is a pivotal technology for addressing the analytical challenges posed by combinatorial chemistry in drug discovery.
- Its high performance characteristics significantly advance the process of identifying and verifying lead structures.
- This review underscores the indispensable role of FTICR-MS in modern pharmaceutical research and development.