FREE Drawing Program: Mass Spec Calculator Professional

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I have used both ACD ChemSketch which is free when used for personal or academic applications and Mass Spec Calculator Professional which is free with no limitations. The details of Mass Spec Calculator Professional are as follows:

  • Molecular structure drawing, with simple interface.
  • Manual and automated fragmentation tools for understanding EI fragmentation
  • Determine fragments, isotope profiles, and elemental composition
  • Accurate mass is supported
  • Seamless compatibility with NIST spectrum search, structure similarity search, Mass Spec Interpreter
  • Extract a NIST searchable spectrum from a jpg or png
  • Calculate isotopic mass distributions for a structure

NOTE: To see how to send structures from MSCPro to NIST MSSEACH program, be sure to watch the instructional video below. One must setup the Preferences/Startup Options menu by selecting the NIST Library option and specifying the location of the MSSEARCH folder on your computer. Then be sure to save!

Link to Download:

Instructional Video Link:

NOTE: An installation code was sent via email, but my Gmail filter put it in Spam Folder!

Download Here: Installer/Installation Code/Instructional Video

Link to Zip File on My Google Drive

The installation code is found in the read_me in Zip file.

Credits: The software and video were done by John Thomas (Tom) Bernert, a retired chemist from CDC. The music, "Such a Long Time" from River Serene Album, was written by Timothy Wenzel, a former chemist at Dow Chemical.

Serene River Album Link:

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