Agilent has introduced the Agilent Forensic Toxicology Application Kit for its liquid chromatography/hybrid quadrupole-time of flight mass-spectrometry (LC-QTOF MS) systems.
The application kit allows users to quickly and easily set up screening experiments.
'We've been working closely with customers and experts in the field of forensics and toxicology on this application kit, and are sharing our experience for the benefit of a wider customer base,' said John Fjeldsted, general manager, Agilent LC/MS business.
'This kit combines the specificity of an accurate mass database with the additional confidence of high-quality, accurate mass MS/MS spectra in a personal compound database and library (PCDL) - it is a complete package with recommended methods and application note,' he added.
The database and library, called the Broecker, Herre and Pragst PCDL, was developed in collaboration with the Institute of Legal Medicine and Forensic Sciences at the Charite Universitaetsmedizin, Berlin.
'The use of accurate mass and isotopic pattern from the molecular ion significantly increased the confidence for identifying toxicologically and forensically relevant compounds compared to using UV spectra,' said Prof Dr Fritz Pragst, creator of the Pragst Forensics UV spectral library.
'The addition of accurate mass MS/MS spectral library search provides even more confidence of results by discriminating between the large number of possible structural isomers,' he added.
The Forensic Toxicology Application Kit is designed to be used with an Agilent 1200 Series RRLC or 1290 Infinity UHPLC and an Agilent 6500 Series Accurate Mass Q-TOF LC/MS system.
The kit contains: accurate mass PCDL with more than 6,500 compounds; MS/MS spectra for more than 2,500 compounds at three collision energies to reduce or eliminate false positives; LC column and analysis methods; DVD with method and data files, application note and quick-start guide, speeding startup by showing examples of analyses; and Masshunter PCDL software, which allows content to be easily viewed and edited.
The software makes it easy to create custom databases, for smaller and more specific suites of analytes compiled to specific requirements.