Ross McBride

Comprehensive LC-MS/MS Data Acquisition in Metabolomics via Maximum Bipartite Matching

The paper introduces a maximum bipartite matching workflow for LC-MS/MS data acquisition to improve the identification of metabolites by optimizing fragmentation spectra collection.

TopNEXt: Automatic DDA Exclusion Framework for Multi-Sample Mass Spectrometry Experiments

TopNEXt improves data acquisition in multi-sample LC-MS/MS metabolomics by extending DDA exclusion methods across samples using a Region of Interest and intensity-based scoring system.

Simulated-to-real Benchmarking of Acquisition Methods in Metabolomics

This study benchmarks DDA and DIA acquisition methods in metabolomics using simulations and real-world validation, showing performance differences based on co-eluting ion counts.