MassHunter Quant/Qual - How to export all scan spectra automatically post sequence run to .csv files per run

Good Morning,

We are working on a way to to observe and use the mass spectra automatically when a run is done for every peak per run. We can do this manually but it take a long time as our mixtures are complex hydrocarbons.

Is there a way to automatically produce a scan spectra that is exported as a csv (or tsv) file for each peak in a run?

And is there a way to have this done after every run in a sequence automatically?

Thanks

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0 howard_sanford 8 months ago

Hello gchaplai ,

I just wanted to follow up on this question since this topic comes up frequently in searches.

The only way to do something like this would be to utilize Excel reports, though these are quite slow. The default Compound Discovery report includes a list of spectrum peaks. You could customize this to only list the information you want. From qual this can only be saved to an Excel .xls file, but once it is made you could manually save as to a .csv.

Once you have the custom report you could create a qual method with a custom workflow and specify that as a DA method in your sequence.
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0 howard_sanford 8 months ago

Hello gchaplai ,

I just wanted to follow up on this question since this topic comes up frequently in searches.

The only way to do something like this would be to utilize Excel reports, though these are quite slow. The default Compound Discovery report includes a list of spectrum peaks. You could customize this to only list the information you want. From qual this can only be saved to an Excel .xls file, but once it is made you could manually save as to a .csv.

Once you have the custom report you could create a qual method with a custom workflow and specify that as a DA method in your sequence.
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