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High-throughput and Comprehensive Drug Surveillance Using Multisegment Injection-Capillary Electrophoresis-Mass Spectrometry
Published on: April 23, 2019
Enhanced performance test mix for high-throughput LC/MS analysis of pharmaceutical compounds
Shu Li1, Lesline Julien, Peter Tidswell
1ArQule, Inc., Woburn, Massachusetts 01801, USA.
Journal of Combinatorial Chemistry
|November 14, 2006
Summary
A new standard compound mix monitors liquid chromatography-mass spectrometry (LC/MS) system performance for pharmaceutical analysis. This method ensures reliable drug discovery and development by tracking ionization, mass accuracy, and system parameters.
Area of Science:
- Analytical Chemistry
- Pharmaceutical Analysis
Background:
- Liquid Chromatography-Mass Spectrometry (LC/MS) is crucial for small molecule analysis in pharmaceutical drug discovery and development.
- Ensuring LC/MS system performance is vital for accurate identity confirmation and purity assessment of chemical entities.
- Routine performance monitoring of LC/MS systems is essential for maintaining data quality and reliability.
Purpose of the Study:
- To develop and validate an enhanced standard compound mix for detailed performance monitoring of LC/MS systems.
- To assess the suitability of a selected set of "druglike" compounds for comprehensive LC/MS system evaluation.
- To demonstrate the utility of the enhanced mix for monitoring critical LC/MS parameters including ionization and mass accuracy.
Main Methods:
- Selection of eight "druglike" compounds with diverse physicochemical properties (pKa, hydrophobicity, molecular mass) from a larger collection.
- Characterization of the selected compounds for stability and compliance with the rule-of-five criteria.
- Utilizing the compound mix with various ionization modes (ESI, APCI), polarities, mobile phase modifiers (formic acid, ammonium hydroxide), and organic solvents (methanol, acetonitrile).
Main Results:
- The enhanced mix effectively monitors LC/MS performance, including ionization efficiency and mass measurement accuracy.
- The mix allows for detailed tracking of changes in gradient profile, flow rate, buffer pH, and ionic strength.
- Demonstrated the capability of the selected compounds to be ionized under various conditions, covering typical pharmaceutical compound characteristics.
Conclusions:
- The developed enhanced compound mix provides a robust and convenient method for routine LC/MS system performance monitoring in the pharmaceutical industry.
- This approach ensures the integrated performance of the LC/MS system under actual sample analysis conditions.
- The enhanced mix facilitates greater detail in performance assessment, contributing to higher confidence in drug discovery and development data.
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