Mass Spec Calculator:

    A Utility for Assistance in GC/MS Mass Spectral Interpretation.

• Draw chemical structures on screen quickly and easily
• Fragment structures on screen using manual or automated routines
• Compare predicted fragmentations with observed mass spectra
• Calculate and display isotopic profiles of molecules or fragment ions
• Calculate possible elemental composition for a given mass
• Automatically digitize mass spectra to generate mass-intensity lists 

Current Version:    4.10

                                     Click Here for More Information