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Import NIST_2020_MSMS_HR

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Import NIST_2020_MSMS_HR abrahampe  2022-04-08 12:33
 

Hello,

I am trying to import the NIST20 HR MSMS library into Skyline. The most obvious file made available by NIST to upload into Skyline is the .msp file. There are multiple collision energy MS/MS spectra per compound that I'd like to have available, but it seems that after import only one CE version is available. Please advise on how to proceed.

Cheers,
Paul
 
 
Brian Pratt responded:  2022-04-12 11:57

Hi Paul,

Skyline doesn't have any way to track multiple CE values per precursor, so it just uses the last-seen entry when importing a library. There are probably many other machine values that would be interesting to track as well for the purposes of chromatogram extraction. We are actually working on tracking multiple ion mobility values, for instance.

Sorry I don't have a better answer for you.

Thanks for using the Skyline support board,

Brian Pratt