1P-33 PDF
Characteristics of complicated peak coalescence phenomena on FT-ICR Mass Spectra at a high magnetic field: A Many-Particle Simulation
In a previous work, a special-purpose computer board for many-body problems (MD One/E) was combined with a single processor PC. Thereby the calculation speed became 10 times as fast as only a single processor in the case of 1,000 simulation particles. Following the MD-One/E, a more powerful special-purpose computer GRAPE-6 (for "GRAvity PipE") has been employed and the computing configuration has been further accelerated. In the present work, we focused on the simulation for peak coalescence phenomena on FT-ICR mass spectra at a high magnetic field. On the accelerated configuration, the correlation between Coulomb-interaction-induced degradation of excited coherent ion cyclotron motion and FT-ICR mass spectral peak shape was investigated in detail by many-particle simulation. The simulation results suggest that the relationship between the Coulomb-interaction-induced degradation and the spectral peak shape is quite complicated especially at a high magnetic field.