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Automated extraction of adducts

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Automated extraction of adducts Yasin  2018-10-02 01:11
 

Dear Skyline Team,

I would have a question for the functionality of "precursor adducts" under Settings -> Transition Settings -> Filter -> Small Molecules -> Precursor adducts. I sadly was not able to find information about it in the help.
I assumed to be able to automatically extract adducts of monoisotopic masses there so that I don't have to specify every single one of them in the transition list (which would be very useful).

Thank you a lot for your work
Yasin
 
 
Nick Shulman responded:  2018-10-03 16:07
Currently the only place that that setting gets used is when Skyline is interpreting spectra in a spectral library.
Skyline looks at the spectrum and tries to determine which ion type corresponds to each observed m/z. Skyline tries all combinations of the ion types and adducts that you have specified in the Transition Settings Filter.

We have thought about making it so that these settings could be used to cause Skyline to give you all of these permutations without a spectral library being involved, but I am not sure when that will be implemented.
 
Yasin responded:  2018-10-04 02:10
Ok, thank you for the response.