samples from library screening was read on a Bruker solariX XR instrument.
An initial MALDI spectrum was obtained in the 150–2500 m/z range using the following parameters:
a laser frequency = 200 Hz and collision energy = 14.0 V combined
with a raster smart walk pattern. This provided the mass of the quasi-molecular
ion; namely the singly protonated intact peptide [M + H]+. Using collision-induced dissociation (CID), the quasi-molecular
ion was fragmented with a laser frequency = 200 Hz, collision cell
radiofrequency (RF) = 1.6 Vpp and collision energy = 80.0 V using
a raster smart walk pattern. This generated a tandem mass spectrum
also in the 150–2500 m/z range.
The data for each hit peptide was collected and analyzed using Bruker
Compass DataAnalysis 5.1.