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Analyzing Trace-Level Impurities of a Pharmaceutical Intermediate Using ,,, an LCQ Deca Ion Trap Mass Spectrometer and the Mass Frontier ,,, Software Package

Mark R. Kagan1, Julian Phillips2, Carrie Liu3

1Thermo Finnigan, Piscataway, NJ;
2Thermo Finnigan, San Jose, CA;
3Eisai Research Institute, Andover, MA

Chemical Structure Validation

The data presented here can be acquired using the Thermo Finnigan LCQ Series of ion trap mass spectrometers

Introduction

With the high cost of bringing new drugs to market, the number of candidates a pharmaceutical company can develop is limited. Most are using increasingly sophisticated screening techniques to eliminate poor candidates early in the discovery process. To be successful, properties such as the adsorption, distribution, metabolism, excretion and toxicity of compounds, their metabolites and impurities must be assessed quickly and accurately to characterize potential lead compounds.

High-throughput analysis of impurities is particularly challenging at the low sample concentrations typical in biological matrices. The wide range of possible modifications further complicates data interpretation. With inherent high sensitivity, selectivity, and sophisticated Data Dependent operational capabilities, the Thermo Finnigan LCQ Series of ion trap mass spectrometers are well suited for applications involving impurities.

Rapid acquisition, interpretation and analysis of structural data is crucial for maintaining a compound screening process capable of working in a combinatorial environment. Mass Frontier, Thermo Finnigans pioneering software package for interpretation and management of mass spectra, can be configured to automatically predict fragmentation pa
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