GNPS - Negative ionisation mode fragmentation data of clinical cohort from MS2LDA+ paper

Human urine samples measured using pHILIC LC-MS/MS and LC-MS in negative ionisation mode. Urine samples were from clinical cohort in which we expected to find substantial amounts of xenobiotics. Samples were used for MS2LDA substructure discovery to find the building blocks of metabolomics. All parameters and settings can be found in the paper. This is a subset of MSV000081118.