Creating a Spectral Library from Existing Data Set

Creating a Spectral Library from Existing Data Set madeline colley  2022-03-30


I have a series of DDA-PASEF experiments, but I am confused on how to start making a spectral library for these small molecules (some lipids and metabolites). I can see there is an "export spectral library" function, which I am assuming saves your transition list into a spectral library format.

I have used lipidcreator to give me a few transition ions for some lipids I am interested in, but when I load that, I am not sure how to then look at that with ion mobility or then add the ion mobility from this specific data set into the library.

Is there a tutorial on how to do this?


Brian Pratt responded:  2022-03-30

Hi Maddie,

Do you have known ion mobility values for the ions of interest? If not, I'd suggest the "Ion Mobility Spectrum Filtering" tutorial ( for information on how to create an ion mobility library from your data. It's in terms of peptide data, but the ideas are the same.

Best regards,

Brian Pratt