The computational results align well with experimental observations of anion intensities in ESI-MS spectra. Of the anions formed via Me2Al + cleavage, [4,3-OH] -and [5,3] -are invariably the weakest in intensity at any stage of the hydrolysis reaction. In contrast, the strongest at the earlier stages can be either [7,4] -or [8,4] -(Figure ). The calculated ΔGi-qh-tr values correctly predict for each value of n, which [n,m] -anions should predominate in these mixtures. For example, for n = 6, four anions including [6,4-OH] -(vide infra) could be formed from various precursors (Table 3, entries 3, 4, 11 and 12). Among these, only [6,4-OH] -and [6,4] - have negative ΔGi-qh-tr values, and these are indeed the species observed in the ESI-MS spectra, with their relative experimental intensities (Table ) showing qualitative agreement with theoretical predictions.