The new correlation analysis algorithms determine the similarity or dissimilarity between successive spectra, and allow for the extraction of chromatographic components
2004 Advanced Chemistry Development (ACD/Labs) announces the version 8.0 release of MS Manager, the powerful mass spectrometry data management system designed to process, analyse, and manage experimental or calculated data from single and hyphenated mass spectrometry techniques.
Major enhancements to generic component extraction techniques in version 8.0 simplify and streamline the complex process of extracting data based on spectral similarity. Version 8.0 contains powerful spectral correlation capabilities that have a wide applicability to homologous series data analysis and more.
The new correlation analysis algorithms determine the similarity or dissimilarity between successive spectra, and allow for the extraction of chromatographic components even for low intensity and noisy spectra.
Mark Bayliss, mass spectrometry product manager, at ACD/Labs, states, "The inclusion of powerful spectral correlation algorithms in this latest version of MS Manager is the result of an exciting and productive collaboration with Kevin Owens at Drexel University, USA. "This first release represents a major step forward in the complex task of selective data extraction, which complements our other chemometric extraction tools such as component detection algorithm (Coda) and CompareLcms.
"Applications areas are expected to include flavors and fragrances and forensic applications".
Macro-data processing capabilities within ACD/MS Manager make it possible to automate different correlation analyses through macro commands generated from the processing history.
Additional macro capabilities added in version 8.0 include the calculation of mass chromatograms, and the ability to export TIC or specific mass chromatograms to other ACD/Labs programs.
MS Manager can be seamlessly combined with other ACD/Labs product branches to cover a wide variety of analytical techniques, and to support hyphenated data.
