Search Library

Dear all, I have a question for GCMS. I would like to know how to select the chemical name of a substance that I search from a search using NIST program into the selected MS spectrum and I need to know any trick of how to search the library very fast way replace by searching one by one compound. My qualitative analysis software is version 12.0. Thank you. 

  • Hi  welcome to the Community!

    I moved your question to the Mass Spec Software Forum for better visibility.

    Cheers,

    Kristen

  • Hello  ,

    I apologize for the delayed response.

    Information from NIST MSSearch cannot be brought back into Qual, though there are a few things you can do to make MassHunter present results closer to NIST.

    First you can make certain that the option to Adjust score is enabled on the Search Criteria tab in your method. This will use NIST weighting to adjust compounds scores. 

    If after using MSSearch you find a hit you prefer, you can come back to Qual and adjust the identification results on the Spectrum Identification Results tab. Just click on the ID you prefer and that will be the saved and reported result.

    If you are running workflows in Compounds View, then all found compounds should be identified at the same time. If you are using manual workflows in Navigator View, you can search all spectra at once by selecting Spectra in the Data Navigator and then Identfiy Selected Spectra. You can also try lowering your score requirements and increasing the number of hits returned so that more choices are presented in the ID results. 

  • Thank you for the very clear information; I really appreciate it, and I will incorporate your suggestions into my analysis.

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