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

Mass Spec Calculator Pro has easy to use structure drawing and fragment features

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 Profile & Elemental Formula Utilities

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.

Spectrum Capture & Digitize From jpg

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.

Seamless Integration with NIST Mass Spectral Library

Mass Spec Calculator Pro Version 5 integrates seamlessly with the NIST 14 MS Search program, NIST Mass Spectral Library, and Mass Spec Interpreter utility.

Visit the Author Web Site

Mass Spec Calculator pro is written by Quadtech Associates. Visit the Quadtech we site by clicking here.

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