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High-Throughput Compound Quality Assessment with High-Mass-Resolution Acoustic Ejection Mass Spectrometry: An
Alandra Quinn1, Gordana Ivosev2, Jefferson Chin1,3
1Pfizer Global Research and Development, Groton, Connecticut 06340, United States.
Analytical Chemistry
|May 16, 2024
Summary
High-throughput compound quality control (QC) is vital for pharmacological screening. Acoustic ejection mass spectrometry (AEMS) coupled with a data processing toolkit enables rapid and reliable QC for large compound libraries.
Area of Science:
- Analytical Chemistry
- Pharmacology
- Biotechnology
Background:
- Reliable compound libraries are crucial for accurate pharmacological screening results.
- Current quality control (QC) methods using liquid chromatography (LC) lack the throughput for large-scale libraries.
- Acoustic ejection mass spectrometry (AEMS) offers a high-throughput analytical solution for diverse chemical structures.
Purpose of the Study:
- To present the application of a high-resolution AEMS system for high-throughput compound QC.
- To introduce an automated data processing toolkit for efficient analysis of large compound sets.
- To demonstrate the combined system's capability for rapid and reliable quality assessment of compound libraries.
Main Methods:
- Utilized a high-resolution acoustic ejection mass spectrometry (AEMS) system for compound analysis.
- Developed an automated data processing toolkit for quantitative and qualitative assessment.
- Implemented spectral similarity comparison against a reference library within the toolkit.
Main Results:
- The AEMS system effectively processed large sample sets at high throughput.
- The automated toolkit enabled efficient purity calculations and qualitative assessments.
- The integrated system successfully addressed the analytical bottleneck in compound QC.
Conclusions:
- High-resolution AEMS combined with an automated data processing toolkit provides a rapid and reliable solution for large-scale compound library QC.
- This integrated approach significantly enhances the efficiency of pharmacological screening by ensuring library quality.
- The developed toolkit facilitates comprehensive analysis, including purity and spectral similarity, crucial for compound validation.
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