Thermo Fisher Scientific has announced the launch of Metworks 1.2, an updated version of its metabolite identification software.
Metworks is a 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.
Metworks facilitates the acquisition, processing and reporting of liquid chromatography/mass spectrometry data.
Dr Yingying Huang, strategic marketing specialist for the metabolism and metabolomics group at Thermo Fisher Scientific, said: 'The latest version of the software will simplify and speed up the search for expected and unexpected biotransformations.' MetWorks 1.2 has a graphical user interface (GUI) that exploits the power of multiple mass defect filters (MMDF).
Mass defect filtering is one of the most powerful 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 extracts low levels of metabolite ions, even when they are three to four orders of magnitude less abundant than the background matrix ions, thus providing an enhanced signal-to-noise ratio.
This latest version of the software also features a concise summary report that conforms to industry standards, as well as providing accurate mass analysis data (with ppm values).
Additionally, there are Analyte and Modification Managers that automatically calculate accurate masses for parent compounds and potential biotransformations using standard molecular formulae.
Metworks software is compatible with all Thermo Scientific mass spectrometers capable of performing MS/MS and MSN fragmentation.
The software takes advantage of reproducible MSN fragmentation data and enables analysis of high-resolution accurate mass data to be fully exploited.
Thermo Fisher will be showcasing the capabilities of Metworks 1.2 at the ISSX Meeting in San Diego, California, till 16 October.
