CHEMINFORMATICS

ExactFinder

17 March 2011

Thermo Fisher Scientific

Announced during Pittcon, the new Thermo Scientific ExactFinder software for the company's Exactive benchtop liquid chromatography-mass spectrometry (LC-MS) system streamlines data processing, review and reporting workflow for food and environmental safety, clinical research and forensic toxicology laboratories. Data can be processed for both targeted and unknown screening experiments without the need for multiple software packages, and the Exactive LC-MS system and ExactFinder software offer advanced software algorithms, including parameter-less peak detection (PPD), automated component detection, isotope pattern-matching with intelligent elemental composition calculation and reverse library search, to facilitate processing of complicated sample analyses with minimal user input.

Full-scan high-resolution, accurate-mass (HR/AM) spectral data and multiple forms of compound identification are integrated into a single software solution, including a unique HR/AM spectral library search, isotope pattern matching, and ChemSpider and other chemical database search capabilities. The HR/AM library includes more than 3,000 mass spectra for more than 1,000 compounds relevant to food safety and environmental testing. The Exactive LC-MS does not require compound-dependent parameter optimisation, simplifying method development.

Click here to find out more