Computational Expansion of High-Resolution-MSn Spectral Libraries
Analytical Chemistry, 0 (2023) by Brandon Y. Lieng; Andrew T. Quaile; Hannes L. Rös (Terrence Donnelly Centre for Cellular and Biomolecular Research, University of Toronto); Xavier Domingo-Almenara (Centre for Omics Sciences, Eurecat – Technology Centre of Catalonia & Rovira i Virgili University Joint Unit) Abstract Commonly, in MS-based untargeted metabolomics, some metabolites cannot be confidently…