Simulation of FT-ICR Mass Spectra with a Special-purpose Computer for Many-particle Systems

摘要

In a previous work,a 3D many-particle model consisting of 1,000 simulation particles interacting with each other has been employed to simulate FT-ICR mass spectra on a single processor PC.However,1,000 particles are not sufficient.Thus to extend the number of simulation particles,a special-purpose computer board for many-particle systems was combined with the PC.Thereby the number of simulation particles was extended to 10,000.Though the calculation speed is still not sufficient,the speed became 10 times as fast as only CPU in the case of 1,000 simulation particles and it became possible to compute longer ICR signals and simulate higher resolving power spectra.The extended computing configuration was applied to simulation for the influence of magnetic field strength on peak coalescence phenomena.