数字离子阱偶极直流激励解离技术研究  

Study of Dipolar Direct Current Excitation Driven-Collision Induced Dissociation Processes in Digital Ion Traps

作　　者：周文兴 黄刚[2] 蔡红华[2] 刘俊杰 邓一兵 杨清宇 王伟民[4] 徐福兴 丁传凡 ZHOU Wen-xing;HUANG Gang;CAI Hong-hua;LIU Jun-jie;DENG Yi-bing;YANG Qing-yu;WANG Wei-min;XU Fu-xing;DING Chuan-fan(School of Automation Science and Engineering,Faculty of Electronic and Information Engineering,Xi’an Jiaotong University,Xi’an 710049,China;China Astronaut Research and Training Centre,Beijing 100094,China;China Manned Space Engineering Office,Beijing 100034,China;Institute of Mass Spectrometry Technology and Application,Zhejiang Provincial Key Laboratory of Advanced Mass Spectrometry Technology and Molecular Detection,Ningbo 315211,China)

机构地区：[1]西安交通大学电信学部自动化科学与工程学院,陕西西安710049 [2]中国航天员科研训练中心,北京100094 [3]中国载人航天工程办公室,北京100034 [4]宁波大学材料科学与化学工程学院,浙江省先进质谱技术与分子检测重点实验室,浙江宁波315211

出　　处：《质谱学报》2023年第6期739-747,I0001,共10页Journal of Chinese Mass Spectrometry Society

基　　金：科技部重大科学仪器设备开发(2020YFF01014601);国家自然科学青年基金(22104067)。

摘　　要：本研究基于数字离子阱技术,通过改变数字方波的占空比实现加载偶极直流激励-碰撞诱导解离(DDC-CID)技术,改善碎片离子的检测效果。研究结果表明,采用DDC-CID技术可以小幅提高前体离子的碎裂效率,对于利血平分子,碎裂效率提高1.2倍,低质量碎片离子的捕获效率至少提高3倍。实际实验结果与模拟计算结果基本一致。通过观察离子阱稳定性变化图发现,由马修方程计算的离子阱特征参数q值发生改变。DDC-CID技术提高了MS/MS解离效率,获得了更高的捕获效率,可进一步提升数字离子阱质谱技术的分析性能,扩展其应用领域。The development of fragment ion detection is significant for improving the analysis capacity of mass spectrometry.Fragmentation technique has been widely used in the identification of peptides and top-down/bottom-up proteomics analysis.To date,collision-induced dissociation(CID)remains the most commonly used ion activation method in MS/MS experiments,but the effectiveness of CID in ion trap mass spectrometer is limited by low mass truncation and weak fragmentation yield.Recently,technological advances have made the CID process in the ITMS more flexible.The CID process in an ion trap mass spectrometry(ITMS)is usually achieved by superimposing a small auxiliary alternating current(AC)voltage on the main radio frequency(RF)voltage.When the frequency of AC is close to or equal to the lifetime frequency of the isolated ions,the ions are resonantly excited,resulting in a dramatic increase in the kinetic energy of the ions.The high kinetic energy ions will then collide with the background gas,converting the kinetic energy into the internal energy of the ions.Eventually,when the internal energy of the ion is greater than the potential barrier of a bond breaking,a series of fragmentation ions will be formed.In theory,controlling the q-value is essential to maintain the fragmentation efficiency and trapping efficiency of tandem MS/MS,thus improving the detection of fragmentation ions,while currently reported techniques typically require complex circuitry and often yield different CID modes.In this paper,the effective improvement of fragment ion detection by developing the dipole direct current excitation-collision induced dissociation(DDC-CID)technique was demonstrated,which was implemented on a digital ion trap mass spectrometer by adjusting the duty cycle during CID,or specifically,by increasing the dipole direct current(DC)voltage during CID.The use of pulsed switches and square wave voltages in the digital ion trap technique was a good solution to the problem of circuit design for frequency scanning ion traps.With the

关 键 词：数字离子阱质谱 偶极直流激励 碰撞诱导解离(CID) SIMION模拟 

分 类 号：O657.63[理学—分析化学]