Feature detection capability for small molecules

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Feature detection capability for small molecules FC  2020-08-13
 

Hello Skyline team,

I am new to Skyline and would like to know if Skyline has the capability to detect features/peaks from DIA-MS/MS data for small molecules without first going through a compound identification process. I am interested in using these features/peaks to build a spectral library. Thank you!

Kind regards,
FC

 
 
Nick Shulman responded:  2020-08-13
Skyline is not the right tool for feature detection.

Skyline only knows how to extract chromatograms for molecules whose masses you tell Skyline to look for.
Skyline is a great tool for chromatogram based quantification.

If you would like to learn more about what Skyline can do you can look at the some of the tutorials:
https://skyline.ms/wiki/home/software/Skyline/page.view?name=tutorials

Skyline does know how to read NIST, SpectraST, and XHunter spectral libraries. Skyline's own spectral library format is called "BiblioSpec" and you can find more information about that here:
https://skyline.ms/wiki/home/software/BiblioSpec/page.view?name=default
-- Nick