Partnership with ChemAxon to offer analytical data management in a chemical context

Posted by Burkhard Schaefer on 18 September 2015 | Comments

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We're happy to announce a partnership with ChemAxon, a leader in providing chemistry software solutions and consulting services for life science research. Our partnership allows users to manage analytical data in ChemAxon's chemistry software solutions using open standards.

This partnership has led to the development of a Mass Spectrometry Add-On for ChemAxon’s Instant JChem™ which enables storing, searching, and displaying of mass spectrometry data in the context of chemically aware databases. The Mass Spectrometry Add-On leverages the capabilities of BSSN Software's Seahorse Scientific Workbench® technology and the ASTM AnIML analytical data standard to interface with instruments from all major vendors. Users can import structure and mass spectrometry data from many formats, including the NIST/EPA/NIH Mass Spectral Library, enabling fully integrated analytical data management.

With a new Mass Spectra Form Widget, users can perform spectrum similarity searches based on a spectrum query, as well as search for spectra by structure or other chemical query terms. Search results or data library browsing can display the spectra alongside chemical information in a display widget that can zoom, identify peaks, and display query and result spectra alongside each other.

The solution has been developed together with an early adopter customer, and we're delighted to see it in action!

Burkhard Schaefer provided an overview of the results of this collaboration at ChemAxon's recent European User Group Meeting held in Budapest, Hungary, May 19-20.

A video of the presentation may be viewed here.