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.
Seahorse Scientific Workbench® is a vendor-neutral software suite for capturing, analyzing and sharing analytical and biological data, while Instant JChem™ is a desktop application designed for chemists to create, explore and share chemical and non-chemical data in local and remote databases.