Reactive desorption electrospray ionization for rapid screening of guests for supramolecular inclusion complexes.

Reactive desorption electrospray ionization (DESI), an ambient technique, has been explored as a tool for the development of a fast screening approach for supramolecular complexes capitalizing on the specificity of mass spectrometric detection. A library of twelve potential guests for inclusion by a beta-cyclodextrin host was initially screened via DESI using a spray solution incorporating the host directed toward an array of deposited guests. The steroid nortestosterone was used to verify the applicability of reactive DESI for complexation experiments with beta-cyclodextrin. Results from the DESI experiment and results from an analogous electrospray ionization (ESI) mass spectral screen were compared with solution-phase data obtained by nuclear magnetic resonance (NMR) spectroscopy. The complexes detected using DESI were identical to those determined using NMR, validating the applicability of the technique to supramolecular applications, but the ESI data exhibited significant disparities, predominantly due to the interference of nonspecific artifacts.