LC-MS/MS Unknown Screening in a Large-Scale Forensic Toxicology Study: Enlighten the Needle in the Haystack?
Wed 8:00 AM - Track 1: Toxicology
Pierre-Alain Binz
Geneva Bioinformatics
View Long Abstract
LC-MS/MS unknown screening with library search gets popularity in clinics, forensic toxicology and food testing. Current challenges of this approach include improvement of algorithmic performance to cope with spectral variability, instrument mass precision and slow increase of library sizes. As the technology enters the routine, usability and user friendliness are also key. Nearly 600 saliva samples from randomly selected drivers were processed with a AB SCIEX QTRAP and screened against a QTRAP library and against the whole heterogeneous NIST_msms library. SmileMS show superior performances vs a classical reference tool (Analyst), reaching a factor 3 improvement in FP and FN rates.