Peak intensity tables of the annotated features were pre-processed with MetaboAnalyst 5.0 by filtering (interquartile range option), normalization by sum, log transformation (base 10), and pareto scaling. Finally, Level 1-3 compounds were classified using the HMDB disposition ontology , pathways information in the PubChem Classification Browser, and/or literature associated with PubChem records via co-occurrence scores . See S1.5 and GitLab 27 for details.