*4.8. Mass Spectral Analysis*

The Savitzky–Golay method was used for smoothing in five cycles with a window of 10 for the high mass range and in three cycles with a window of 5 for the low mass range, respectively. Fractions of educts and products were derived from heights of ion signals of complex (educt) and its dissociated constituents (products) at all applied collision cell voltage differences (∆**CV**). At each applied ∆**CV** setting the height of apex of Gaussian fit of the multiply charged ion series of the respective complex as well as of its constituents was determined by recording the intensities and respective *m*/*z* values of all ion signals for each charge state. Next, these ion intensities were plotted against their respective *m*/*z* values and fitted to a Gaussian curve (Figure 2) using Origin version 8.1 (OriginLab Corporation, Northampton, MA, USA). Intensity apexes of each molecular species or complex from the heights of the individual ion signals were determined as well. The relative amounts of products, **f**(**products**), and relative amounts of educts, **f**(**educts**), from the nanoESI mass spectra at given ∆**CV** settings were determined. The plots of normalized educt intensities i.e., **norm**(**educts**) vs. ∆**CV** were fitted to a Boltzmann curve (R<sup>2</sup> ≥ 0.99).

The mass spectrometry data have been deposited to the ProteomeXchange Consortium via the PRIDE [37] partner repository with the dataset identifier PXD021296.
