Mass spectrometric data on the cluster ions formed in mixtures of sodium dodecyl sulfate with divalent metal salts

Abstract

This paper reports the data obtained from electrospray mass spectra of sodium dodecyl sulfate (SDS) recorded at different concentrations of electrolytes in the positive and negative ion mode, for five different times of acquisition. Using the Excel program, we show the changes in intensities of the peak assigned to a given cluster ion with increasing acquisition time and increasing salt concentration. Moreover, for DS monomers and dimers the correlations were found between the relative peak intensities, PMe/Na, and concentration ratios, [Me]/[DS] ([Me] and [DS] are concentrations of metal and dodecyl sulfate ions, respectively). The PMe/Na values are numerical measures of the competition between metal, Me, and sodium, Na, cations in their binding with DS monomers and dimers. Generally, the data presented herein may be used to predict the type of cluster ions formed in a given mixture of an anionic surfactant with a divalent metal salt and a possible correlation between the peak height of a given cluster ion and the electrolyte concentration and acquisition time. For a broad discussion of the dataset obtained for [Me]/[DS] = 1, please refer to the research article “Interactions of divalent metal cations with headgroups of monomers, dimers, and trimers of anionic surfactant” (Jakubowska, 2021).