Ion Mobility Mass Spectrometry for Synthetic Molecules: Expanding the Analytical Toolbox

Understanding the composition, structure and stability of synthetic molecules is crucial for their design, yet currently the analytical tools commonly used do not readily provide this information, particularly for larger complex analytes above M = 500 Da. In this perspective, we show how ion mobility mass spectrometry (IM-MS), in combination with tandem mass spectrometry, computational methods and other complementary techniques, can be used to structurally characterise new synthetic molecules, make and predict new complexes, monitor disassembly processes and determine stability. Using IM-MS, we present an experimental and computational framework for the analysis and design of complex molecular architectures such as (metallo)supramolecular cages, interlocked molecules, rotaxanes, dendrimers, polymers and host-guest complexes.