Study of the fragmentation mechanism of novel functionalized macrocycles by Fourier transform ion cyclotron resonance mass spectrometry

Liquid secondary ion mass spectrometry (L-SIMS) of six new functionalized macrocycles was investigated. All six compounds yielded abundant fragment ions and protonation molecular ions [M + H]⁺ under L-SIMS conditions. The proposed fragmentation mechanisms were supported by high-resolution accurate mass data from Fourier transform ion cyclotron resonance mass spectrometric and MSⁿ experiments on using sustained off-resonance irradiation collision-induced dissociation.