Quantitative clinical toxicological screening comparing Library ID from production scan MS/MS to MRM Spectrum mode ID

Forensic toxicological sample measurement is commonly performed in a targeted analysis on selected panels of compounds. When using triple quadrupole platforms for analysis, typically two MRMs are used for compound measurement with a quantifier ion transition and reference ion transition. To help reduce false positive and false negative reporting two alternative approaches have been considered; MRM triggered product ion spectrum and MRM Spectrum mode. MRM Spectrum mode acquires a high number of fragment ion transitions for each target compound generating a fragmentation spectra that could be used in routine library searching and compound verification using reference library match scores. In this work, we compare different approaches in target quantitation and identification applied to clinical and forensic toxicology.