High-Resolution, Accurate-Mass Forensic Toxicology Screening in Blood Samples Using a Q Exactive Mass Spectrometer

摘要

The Q Exactive MS provides high confidence with high-resolution capabilities (up to 140,000 FWHM) for forensic screening. Data processing is performed using ExactFinder 2.0 software. Compounds are identified and confirmed using the exact mass of the precursor, the isotopic distribution, the retention time and the exact mass of up to 5 fragment ions. HRAM LC/MSMS method identified more compounds for forensic toxicology than Diode Array Detection and Triple Quadrupole Targeted SRMs methods. Additional information such as metabolites identification can be easily obtained by extracting the theoretical m/z values for predicted biotransformations This HRAM method also allows for retrospective data analysis. A new HRAM database (https://www.mzcloud.org/) will soon be available to perform targeted and also unknown identification.