Is it possible in Qual 10 to create a compound after manually integrating a peak and extracting the spectrum?
In earlier versions of Qual I was able to manually integrate a peak, extract spectrum, and then right click on the spectrum in the data navigator to create a compound. I'm unable to find an option to do the equivalent in either the Navigator or Compound view.
Slightly related, any news on when we might see a replacement for Qual 10? It's long overdue.
Hello onestone ,
Starting in Qual B.08 it is not possible to manually convert user spectra to compounds. If you need to add other peaks manually you can left click and drag to select the peak range in the Compounds View TIC, right click, and choose Integrate. If you are happy with the integration you can then right click and choose Integrate and Extract Compounds. If you cannot integrate the range or peak with your current settings, you can change them under Chromatograms->Integrate (MS) or choose a different integrator and try to integrate the range again. You do not need to reselect the range to try another integrator or adjust your Peak Filters. Just right click in the range again and choose Integrate.
You can also manually add a compound without integrating by selecting a range using left click and drag and then double left clicking within the range. This will create a compound from the spectrum found in that range whether it can be integrated or not. It will appear in the compound list, but it will not have an RT. Its spectrum results will display the RT range that was summed to create the spectrum. All compounds made this way will show Spectrum Extraction for the Mining Algorithm.
Qual 12.0 has recently been released, though from what I can find manual compound creation is the same as in Version 10.0. Enhancement requests have been made for this process, but currently there is no information available on when any changes may be expected.
