Icon of program: Mass Spec Calculator Pro

Mass Spec Calculator Pro for Windows

By Quadtech AssociatesFreeUser Rating

Key Details of Mass Spec Calculator Pro

  • Interpret mass spectra from small molecules (~ 1000 da or less).
  • Last updated on February 29, 2024
  • There have been 6 updates
  • Virus scan status:

    Clean (it's extremely likely that this software program is clean)

Registration via e-mail is required to install the software.

Developer's Description

Interpret mass spectra from small molecules (~ 1000 da or less).
Mass Spec Calculator Pro is a free Windows program to assist in the interpretation of unknown GC/MS spectra. Chemical structures can be drawn on screen, read from molfiles or pasted from a SMILES string and then interactively fragmented as desired by breaking selected bonds, with the resulting masses and compositions displayed in each case. Both manual and autofragmentation can be used, and autofragmented results can be compared with a known mass spectrum.

The program contains additional utilities for the examination of isotope profiles for an ion, for the determination of possible elemental compositions for a given mass, and for the automated digitizing of graphic spectrum images to a mass-intensity list for further analysis. Mass Spec Calculator Pro is designed for seamless integration with the NIST MSSearch program and either the full or free demo NIST Library, and both structures and spectra can be searched directly. A chemical structure and potential mass spectrum can also be sent to the NIST MSInterpreter utility for additional analysis, and the current structure on screen can be sent with a single click to PubChem for access to the detailed information available on that site. Full helpfiles are provided and support is available as needed.

MSCPro is free, but requires an installation code which is sent by email on download. If downloaded directly without entering an email address, then the above code will be needed.

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Full Specifications

November 14, 2019
Latest update
February 29, 2024
Operating System
Windows 7, Windows 2003, Windows 8, Windows Vista, Windows XP, Windows 10
Additional Requirements
Total Downloads
Downloads Last Week

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