CHROMATOGRAPHY DATA SYSTEMS
21 October 2008
Thermo Fisher Scientific
Thermo Fisher Scientific has launched MetWorks 1.2, an updated version of its metabolite identification software.
MetWorks is a powerful data-mining tool for small molecules that can be used to search for and identify a variety of metabolites with a high degree of accuracy and confidence.
MetWorks facilitates the acquisition, processing and reporting of liquid chromatography/mass spectrometry data. It boasts a new graphical user interface (GUI) that exploits the power of multiple mass defect filters (MMDF). Mass defect filtering is one of the most powerful and sophisticated ways of using high-resolution mass data to obtain a smaller, more refined data set for review. The interactive MMDF GUI displays the distribution of parent and potential metabolites and allows both novice and expert users to mine the data in a quick and easy manner. Combined with high-resolution data from a Thermo Scientific LTQ Orbitrap mass spectrometer, MetWorks facilitates extraction of low levels of metabolite ions, even when they are three to four orders of magnitude less abundant than the background matrix ions, thus providing a significantly enhanced signal-to-noise ratio.
This latest version also features a new concise summary report that conforms to industry standards, as well as provides accurate mass analysis data (with ppm values). Additionally, there are new Analyte and Modification Managers, which automatically calculate accurate masses for parent compounds and potential biotransformations using standard molecular formulae.