June 20, 2013, 1:55 p.m.
New Releases for Metabolism Platform (MetaSite 4.1, Mass-MetaSite 2.1, WebMetaBase 1.2)
We are pleased to announce new software releases for all of our metabolism platform software. Whilst Mass-MetaSite already enables computer-assisted peak detection and assignment for MetID independently of hardware platform, users can now check the raw data, manually select peaks and assign structures in WebMetaBase 1.2 without having to go back to the hardware platform specific software. With a single click, see if metabolites have been identified in previous analyses, using not only Markush representations of structure but also the the MSMS spectra comparison. This in turn allows users to directly compare experiments - are the same metabolites produced by an in vitro system compared to an in vivo one? How do the metabolites compare across different species?
Along with these major new features, many other features have been introduced to improve workflows, for example including additional metabolic transformations, improved filtering and processing of MS spectra, improved fragmentation rules, improved organisation and navigation of different experiments, visualisation of the predicted interactions with specific Cytochromes, and more.