|Title||»||small molecule transition list reader should be more tolerant of missing values for InChIKey etc, and should explain properly when it rejects a mismatch|
|Assigned To||»||Brian Pratt|
From a March 29 2021 email thread Brian Pratt <-> Lisa Anderson
Here is the .sky.zip and .csv of the transition list. I am trying to insert heavy 13C transitions and am getting an error.
There are a couple of issues here - although the biggest issue is that Skyline is doing a poor job of showing what they are.
A couple of light edits (attached) and the file can be copy+pasted from Excel right into the Targets window.
It's just about inconsistent use and non-use of InChiKey identifiers. Skyline should really be more tolerant of that if there's not a direct conflict, and should do a better job of explaining why it's unhappy.