Sample-Specific MS/MS Methods in High-Throughput Mass Spectrometry

J Am Soc Mass Spectrom. 2024 Sep 4;35(9):2230-2236. doi: 10.1021/jasms.4c00278. Epub 2024 Aug 2.

Abstract

The drug discovery process increasingly relies on high-throughput sample analysis to accelerate the identification of viable drug candidates. Recently, chromatographic-free high-throughput mass spectrometry (HT-MS) technologies have emerged, significantly increasing sample readout speed and enabling the analysis of large sample sets. These HT-MS platforms continuously acquire data from various samples into a single data file, presenting challenges in applying distinctive data acquisition methods to specific samples. This study introduces a novel approach that integrates real-time sample loading status to activate sample-specific MS/MS data acquisition methods on the high-throughput acoustic ejection mass spectrometry platform. Effective method switching and high signal reproducibility were demonstrated across different data acquisition window durations in multiple reaction monitoring (MRM), high-resolution MRM (MRMHR), and information-dependent acquisition modes. This advancement provides a user-friendly and robust solution to the method-setting challenges of HT-MS, expanding the implementation of HT-MS platforms in drug discovery and other high-throughput analytical applications.

MeSH terms

  • Drug Discovery / methods
  • High-Throughput Screening Assays* / methods
  • Humans
  • Reproducibility of Results
  • Tandem Mass Spectrometry* / methods