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MassHunter Quant with FID data

Fat_Mike

Hi, 

I am using MassHunter Quant (10.0.707.0)  to analyze FID data and I need help with integrating unknown compound peaks.  I have the method setup to detect five known compounds and run calibrations against their internal standards, but I also need to account for the other peaks that don't have an assigned compound in the method editor.  I need the cumulative peak area count of all peaks to calculate area% of each target compound present in the sample.   Is there an easy way to do this without having to add erroneous compounds into the method editor for every sample? 

  • 0

    Hello Fat_Mike ,

    Yes, to do something like this in quant you would have to create a compound for each peak you want included. 

    Depending on your workflow and needs, this is possible to do in Unknowns Analysis. You will need an RT library to find your targets in UA. You can either make the library manually or use the MS version of Quant to create a reference library from your FID batch. You can open your FID batch in the MS version of quant to get access to the Setup Reference Library menu in the Method Editor. You will receive errors that spectrum cannot be extracted, but it will create a library with compound names and retention times.

    You would then create a new UA file and import your quant analysis. You would set up for TIC analysis and specify your GC signal. You will probably want to use the advanced view so you can set it to ignore the solvent peak.

     

    Then specify your RT library and set up for RT Match. Depending on your data, to avoid duplicate hits you will probably want to set a fairly tight window. 

    Set to use Retention Time Match under Compound Identification and then analyze your UA file. You can then report with the shipping Area Percent Report template.

    Depending on your data the challenge may be having all the targets detected in UA. 

  • 0 in reply to howard_sanford

    Howard, 

    Thank you so much!  This is incredibly helpful.  I added all my compounds in quant and it has been working out, but I like the UA approach.  Many thanks and Happy Holidays! 

  • 0 in reply to howard_sanford

    I cannot get the reports to work for FID in QA. Do you have to identify all the peaks? I could pontentially have thousands of peaks in a user library many with overlapping retention times on the FID. I'm doing untargeted analysis. Can I just get a peak table with just retention times and peak areas. Thats why I do in qualitative analysis and I use offline processing to match the FID peaks to the peak table for MS. Data review is much better in UA than Qual. What would you suggest?

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