Issue 375: Small molecules: need negative ion capability

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:3.1
Opened:2014-12-03 by Brian Pratt
Changed:2015-06-24 by Brendan MacLean
Resolved:2015-06-24 by Brendan MacLean
Resolution:Fixed
Closed:2015-06-24 by Brendan MacLean
2014-12-03 Brian Pratt
Title»Small molecules: need negative ion capability
Assigned To»bspratt
Type»Defect
Area»Skyline
Priority»3
Milestone»3.1
One thing that caught my eye is the current setting of everything to positive charge (ESI+). I tried to set a precursor to charge of -1 in the import/transition list table, thinking it would be all too simple if that was the ‘trigger’ for an ESI- method. I can’t remember if we have talked about this before or not, but the main thing Skyline would need to do is to simply annotate an ion as negatively charged, adjust the M-H calculation accordingly, and set the mass spectrometer mode to ESI- in the method file for those particular analytes. Waters and many other TQ instruments allow ESI+ and ESI- ions in the same method, thus performing ‘polarity switching’ as part of the SRM method.
 
We are building methods right now for fatty acids (Omega 3 and Omega 6) and downstream metabolites, so that is why ESI- just happens to be high on my list right now.

Cheers

Will
 
J. Will Thompson, Ph.D.

2015-06-24 Brendan MacLean
resolve as Fixed
Statusopen»resolved
This has been implemented.

2015-06-24 Brendan MacLean
close
Statusresolved»closed
Assigned Tobspratt»Guest