NIST Database - OpenChrom/openchrom GitHub Wiki

OpenChrom can be configured to perform peak identification by searching the NIST Mass Spectral and Retention Index Libraries.

External NIST MS Search Demo can be used to evaluate with a limited dataset. Alternatively, there is the integrated NIST 08 as a test case for the embedded solution.

The NIST 20 version of the Mass Spectral Database can be obtained from the OpenChrom marketplace. Latest NIST 23 offers significantly more database entries and improved integration into the OpenChrom platform.