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Mass Hunter Qualitative analysis by custom Library issue

aafzal3

Hello all,

I am new to the mass hunter qualitative analysis software. I am trying to identify some compounds by creating my own custom library. I have created the library in PDCL by giving the mass of compound, formula of compound and compound name. But when I tried to do the analysis with it, the software is not showing any matched compound names. It does processing for some time but then in the compounds window, nothing is showing. It is not saying that nothing is matched. Even I am sure that the compounds which are in the library should match the samples but still its not showing anything. What could be the possible errors?

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  • 0

    Hello  ,

    To troubleshoot the issue you will need to first verify you are able to find the compound and then troubleshoot the identification. Find by Formula requires a peak be integrated for the expected accurate mass EIC. Find by Molecular Feature requires that the 3D signal match your method criteria. I would start by manually making certain there is signal for your expected molecular ion and going from there.

    The Qual Familiarization Guide has some good general usage instructions and also some examples of using Find by Formula and Find by Molecular Feature. It should be available on your MassHunter PC as part of the LCMS Data Analysis Resources.

  • 0 in reply to howard_sanford

    So I should start doing it "Find my formula" or "find by molecular feature"??

  • 0 in reply to aafzal3

    Hello  ,

    I apologize for the delayed response.

    You can use either find by method to attempt to find your targets, but to troubleshoot the issue you need to find your target manually by extracting the EIC for the expected molecular ion. Once you find your target and manually extract the spectrum you can examine the data to determine what criteria are not being met in your method settings. Then you can decide if you need to adjust your acquisition parameters to improve the data or adjust your method so that the targets can be found. 

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  • 0 in reply to aafzal3

    Hello  ,

    I apologize for the delayed response.

    You can use either find by method to attempt to find your targets, but to troubleshoot the issue you need to find your target manually by extracting the EIC for the expected molecular ion. Once you find your target and manually extract the spectrum you can examine the data to determine what criteria are not being met in your method settings. Then you can decide if you need to adjust your acquisition parameters to improve the data or adjust your method so that the targets can be found. 

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