Dissociation Kinetics of Lithium Acetate and Lithium Formate Ion Clusters from Molecular Dynamics Simulation

Electrospray ionization mass spectrometry (ESI MS) is an important analytical technique used to obtain structural and molecular information about large analyte molecules. In an ESI mass spectrum, only the charged species are observed. Computationally, the abundances of the neutral species may be observed in addition to the charged species, giving more data for analysis and interpretation