演題概要

3P-09（3A-O1-0915）

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Optimizing Time-of-Flight Mass Spectrometers with MAXTOF Program Series

(GRC, Sinica)
^oChang, Ko-Keng・ Cai, Yi-Hong・ Wang, Yi-Sheng

We present the MAXTOF program series, a set of tools developed to optimize time-of-flight (TOF) mass spectrometers based on our deep-plowed time-of-flight mass spectrometry (TOF-MS) theory. This theory, focuses on the two-stage acceleration MALDI linear TOF instruments and employing space and velocity focusing, achieves exceptional time focusing and high resolving power. By selecting slow and fast reference ions according to Maxwell-Boltzmann velocity distribution and utilizing delayed extraction and two-stage acceleration, MAXTOF ensures optimal performance. Validated through SIMION simulations, MAXTOF is implemented and optimized with Matlab, catering to both MALDI-TOF mass spectrometer users and designers.
MAXTOF 1 simplifies parameter determination for linear TOF instrument users, efficiently calculating extraction voltage and delay time for a specified m/z, eliminating trial-and-error. Tested on self-built and commercial MALDI-TOF mass spectrometers, MAXTOF 1 proves accurate and reliable.
For extreme resolving power, MAXTOF 2 aids designers in simultaneous calculation of instrument dimensions and parameters across multiple dimensions, yielding rapid results. Virtualization allows thorough analysis, revealing configurations potentially exceeding 100,000 resolving power at 100,000 m/z.
In summary, supported by solid theoretical foundations and comprehensive computational capabilities, the MAXTOF program series significantly advances the optimization of TOF mass spectrometers, offering practical solutions for users and designers.