Overview of mass spec calculator 5 features
This 6 minute video provides an overview of the new features.
There is a musical accompaniment.
mass spec calculator 5 Features
Easy Molecular Drawing, Fragmentation, & Analysis
Quick & simple molecular drawing, manual fragmentation, and numerous autofragmentation capabilities.
Accurate mass is supprted.
Edit current spectrum data, or manually enter, import generic text files, pre-process, and save mass-abundance file data in ASCII format for later use.
Two file types can be imported, either generic text files with mass / intensity data, or NIST msp files.
Isotopic Profiler calculates and displays isotopic profiles for an ion containing one or more polyisotopic atoms. If a structure is present on screen when Isotope Abundance is activated, the elemental composition of the structure will be entered into the formula box and automatically calculated.
Capture the underlying mass - intensity data when only a plot is available. Graphs can be loaded from a file (bitmap, jpeg and png are all supported), resized if necessary, and then analyzed.
Mass Spec Calculator Pro Version 5 integrates seamlessly with the NIST 14 MS Search program, NIST Mass Spectral Library, and Mass Spec Interpreter utility.
And the Price...
Licenses are available world wide for $149.00 USD. Educational institutions can order Mass Spec Calculator 5 for $75.00 USD each