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NIST Library Not Available

Use of the NIST Library is optional in MSC.  Mass Spec Calculator Pro is a stand alone program that does not require the NIST library for operation.  All drawing, manual and autofragmentation procedures, and other associated functions are available without any external dependencies.  However, spectrum and structure identifications can be greatly assisted when the NIST library is available.

If you wish to purchase the NIST Library it is available from several vendors including Scientific Instrument Services .  If the library is not available, it is still possible to evaluate the NIST MSSearch program with a more limited compound library by downloading the demo version from the NIST website

Detailed procedure to obtain and use the NIST Demo version

  1. Go to the NIST Demo download site
  2. Download the installation program which is NIST17Demo.zip as of May 2022. This includes the Search software, a small demo library, and AMDIS
  3. In your Download directory (or wherever you saved it) unzip and run the NIST17Demo installation file. Accept all of the default installation options.
  4. If you accepted the defaults you should now have a directory C:\NISTDEMO with two subdirectories: MSSEARCH and AMDIS
  5. In Mass Spec Calculator click on the Options Menu item, then click Preferences
  6. Click the Startup Options tab at the top
  7. Check that the paths to both NIST Library and MS Interpreter are correct. They should be the same. Both paths must end with a backslash. If needed, you can either browse to the correct directory or edit the paths directly
  8. Click the NIST Library option on the same page to activate it
  9. Click Save to store the current settings, then click OK to exit.
  10. When the NIST Library option is on there will be an additional button labeled NIST on both the main screen and on the Spectrum window