【摘要】 合适的电压参数对飞行时间质谱（TOFMS）的灵敏度和分辨率至关重要。复杂质谱仪的离子光学系统电压参数多、要求精度高，安装和调试存在极大的困难。此外，受机械精度、环境条件和仪器部件老化等因素的影响，最优电压参数组合通常无法与仿真设计参数匹配。本研究提出一种遗传算法自适应在线优化TOFMS性能的方法，并在自行搭建的多次反射飞行时间质谱（MR-TOFMS）装置上，分别开展了2个电压参数的步长扫描优化实验和5个电压参数的自适应优化实验。相比步长扫描法，自适应优化方法在2.25 h内完成了5个电压参数的宽范围、高精度全局搜索，优化后质谱仪的灵敏度和分辨率较扫描优化方法分别提升了52.4%和50.6%。结果表明，自适应优化方法在调试和提升复杂质谱仪性能方面具有巨大潜力。更多还原

【Abstract】 The voltage parameters are critical to the performance of time-of-flight mass spectrometer(TOFMS)such as sensitivity and resolution. The complex mass spectrometer ion optical system has many voltage parameters and requires high accuracy, which brings great challenges to the installation and debugging of mass spectrometer.In addition, the optimal voltage parameters are often not matched with the simulation design parameters due to assembly tolerance, variable environment, device ageing, and so on. The conventional step scan method is time-consuming, and the voltage optimization is easy to fall into the local optimal solution. In this study, a genetic algorithm adaptive online optimization method for TOFMS performance was developed. The experiments of step scan optimization of 2-voltage parameters and adaptive optimization of 5-voltage parameters were carried out on a home-built multi-reflection time-of-flight mass spectrometer(MR-TOFMS). In comparison with the step scan method, the adaptive optimization method completed a wide range and high-precision global search of 5-voltage parameters in 2.25 h. The sensitivity and resolution of the optimized mass spectrometer were increased by 52.4% and 50.6%, respectively. The results demonstrated that the adaptive optimization method had great potential in improving the performance of complex mass spectrometers.更多还原