Issue 948: Make Import Assay Library work for small molecules

issues
Status:open
Assigned To: Brian Pratt
Type: Todo
Area: Skyline
Priority: 3
Milestone: 4.3
Opened:2023-03-25 06:16 by Brendan MacLean
Changed:2023-03-25 06:16 by Brendan MacLean
Resolved:
Resolution:
Closed:
2023-03-25 06:16 Brendan MacLean
Title»Make Import Assay Library work for small molecules
Assigned To»Brian Pratt
Type»Todo
Area»Skyline
Priority»3
Not sure when you will have time to do this, but with the new small molecule uses we are seeing, it seems clear to me that users would eventually want the full functionality available with File > Import > Assay Library for small molecules. That is, we have now implemented everything necessary to allow an enhanced small molecule transition list with: 1. relative fragment ion abundances, 2. iRT values. And given a transition list for small molecules that has these 2 columns, a user should reasonably expect to have us build a .blib file with matching MS/MS spectra and iRT values.

I think we would currently fail to support this for small molecules.