Supplementary Figure 1: Setup of crosslinker properties in Proteome Discoverer.
From: Efficient and robust proteome-wide approaches for cross-linking mass spectrometry
Setting up DSSO as chemical modification. For calculating of the final modification mass, the NHS-esters must be subtracted from the initial mass of DSSO molecule. All possible reactive sites are exemplified. According to the DSSO fragmentation pathway, different fragments are formed: Alkene, Sulfenic acid and Thiol. Monolinks also must be set here, as shown for DSSO hydrolyzed and DSSO quenched with Tris. As connected fragments characteristic for DSSO, “Alkene” to “Sulfenic” acid and “Alkene” to “Thiol” are set.
