|Title||»||Add the ability to incorporate spectral library retention times into scheduling RT prediction|
|Assigned To||»||Brendan MacLean|
Great feature suggestion from Christie Hunter and David Cox to incorporate spectral library retention times into scheduling RT prediction to avoid the need for MS1 filtering of DDA (IDA) data before running targeted MS/MS (MRMhr) or SRM (MRM).
The Peptide Settings - Prediction tab would change to something like:
Retention time predictor:
[ None | \/ ] [#]
[x] Use measured retention times when present
[ 2 ] min
[x] Use spectral library retention times as last resort
Library time window:
[ 5 ] min
Then, when no measured peak times were present, the RT values in the spectral libraries would be used for scheduling. This is especially useful when the instrument running the DDA experiment and the targeted MS/MS experiment are the same. Then the spectral library scan times are nearly as good as peak apex times from extracted ion chromatograms, since the chromatography is fixed.