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Thermo Fisher Scientific

How to Perform a NIST Search for a Mass Spectrum Using Chromeleon or NIST program Directly


Is there a way to search the GCMS NIST library for a specific compound in Chromeleon?


  • Product model : ISQ, ISQ 7000, TSQ 8000, TSQ 9000
  • Application: GC/GCMS, Chromeleon 7.2 and 7.3


In order to find the Mass Spectrum of a Compound in NIST and how to navigate to NIST through Chromeleon 7:

Go directly to the NIST program C:\Program Files (x86)\NISTMS\MSSEARCH then NISTMS.exe. your executable may be somewhere else, but should be in this location. 

Alternatively, go through Chromeleon: 

Go to Chromatogram. Right-click. Select Show Spectrum. Figure 1 - Show Spectrum.png
Right click on Spectrum and Go to Open Spectrum with NIST. Figure 2 - Show Spectrum.png
When NIST opens you can go to Search and then you can search by CAS or several other parameters. Figure 3 - Show Spectrum.png