Table of Contents
Metabolites, Volume 9, Issue 4 (April 2019)
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Cover Story (view full-size image) CFM-ID is a freely available software tool that implements the Competitive Fragmentation Modeling [...] Read more. CFM-ID is a freely available software tool that implements the Competitive Fragmentation Modeling algorithm for the accurate prediction and annotation of mass-spectrometry (MS) spectra, as well as MS-based compound identification. Here we describe a newly updated version of the program called CFM-ID 3.0. This release implements a rule-based fragmentation approach to significantly improve the MS-spectra prediction accuracy for 21 classes of lipids. Moreover, a newly expanded spectral database, as well as an improved metadata-based scoring function have improved CFM-ID’s compound identification performance by 21%. Finally, a compound classification method is introduced, allowing CFM-ID to correctly classify chemical compounds based on their ESI-MS/MS-spectra in 80% of the cases. The CFM-ID 3.0 webserver and code base are freely accessible online. View this paper.