| Computational Assessment of Sustained Off-Resonance Irradiation (SORI) in a Cubic FTICR Ion-Trap |
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* The Institute of Physical and Chemical Research (RIKEN) (2-1 Hirosawa, Wako-shi 351-0198, Japan) † Present address: Japan Advanced Institute of Science and Technology (JAIST), School of Materials Science (1-1 Asahidai, Tatsunokuchi, Ishikawa 923-1292, Japan) |
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| Trajectories of an ion undergoing sustained off-resonance irradiation (SORI) in Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) were examined by means of computer simulations, which take account of non-uniform excitation and trapping electric fields within a cubic FTICR ion-trap. The equation of motion used for the simulations also contains a friction term proportional to the ionic velocity, reflecting a collisional damping of the motion (viscous drag model). The relationship between the initial position of the excited ion and the translational energy was explored; to give a practical index of the collision energy in SORI-collisional activation. The translational energy appears to be independent of the initial z-displacement of the ion. In contrast, the initial magnetron radius represented by the initial x-displacement is a sensitive factor for the translational energy. It is suggested that a diffusion of a trapped ion cloud in the course of a trapping may affect the precision of the collision energy in a controlled SORI-collisional activation. This trajectory simulation can provide a better insight into the energetic property of SORI than a conventional theoretical approach based on a statistical kinetics and a uniform electric field, and may be an effective tool to estimate an availability of collision energy range unless scattering of activated ions becomes a dominant process in the SORI dynamics. | ||
| Key words: Fourier transform ion cyclotron resonance mass spectrometry, Low-energy collision-induced dissociation, Sustained off-resonance irradiation, Ion trajectory simulation | ||
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