Library building small molecules MS1 filtering Hres data

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Library building small molecules MS1 filtering Hres data p de blaauw  2022-02-09 01:51
 

Hi Brian and Skyline team,

I use Skyline to quantify small molecules in plasma with a Waters Synapt G2Si in MS1 filtering. I wonder if it is possible to generate a library of the fragmentation patterns yourself (with a standard or so) and import it in Skyline, since there is a lot of insource fragmentation. At the moment I only look at the M+H/M-H which sometimes yields too little identification data. Thanks in advance and keep up the good work!

Best,
Pim

 
 
Brian Pratt responded:  2022-02-09 09:48

There are a few different ways to achieve this. What's your starting point - do you have theoretical spectra that can be expressed in text form? If so you may want to begin here: https://skyline.ms/wiki/home/software/BiblioSpec/page.view?name=BiblioSpec input and output file formats

Thanks for using the Skyline support board,

Brian