Qualitative Analysis software


I'm new to the MassHunter Qualitative Analysis software and I'm hoping someone can help me to understand some information. After matching the compounds with the existing library/database, the compound information is presented under the "Compounds List" tab. What is the meaning of the numbers in the "Score" column? Is there a way to find the sample purity or composition?

Thank you for your help.

  • Hi  ,

    The exact calculation for the score depends on the identification algorithm that was used, but the general idea is that a higher score indicates that the compound is a good match based on specific parameters.  If you manually identify a compound, the score would show as 100.

    The method editor will show which algorithm(s) are used in a specific workflow. I'd direct you to the Qual help section for the specific calculation details for a library (Lib) match, a Molecular Formula Generation (MFG) match , and a Database (DB) match as each score is a different composite of factors depending on the algorithm(s) used. Some of the help sections that you might find helpful are "Scoring", "Identification >…", and "Scoring Tab…" Pushing F1 will bring up context-specific Help sections as well.

    There is a Sample Purity workflow (for MS and/or UV and ADC data) that allows you to use the Find by Formula Compound Mining algorithm to calculate a percent number for identified compounds. These compounds can be identified based on a known chemical formula, a compound match or confirmed by peptide sequence or mass.

  • Thank you so much for answering my question. The explanation is very clear and helpful.

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