Development and application of ion mobility spectrometry.

开展了大气压离子迁移谱法（IMS）的基础研究和发展。在离子迁移率研究中不适合作为介质的二氧化碳被应用于IMS的载气和漂移气。羧酸酯的正离子和负离子除了由于簇离子的形成而迁移率很低外，其光谱与氮漂移气体中得到的光谱相似。各种化合物，如含氮杂环化合物、多芳烃、烷基胺、氨基酸和羧酸酯等，其迁移率的降低与分子大小和形状的关系已被研究。单峰方法用于计算分辨率值，该分辨率值等于可以在进行测量的峰之前分离的峰的理论数目。为了预测GC和SFC离子迁移率检测器的选择性，定义了一个术语“减小漂移常数”。利用该值，可以从文献数据中预测两个离子之间的离子迁移率分离。建立了具有柱上紫外检测器和IMS的毛细管超临界流体色谱仪（SFC）。采用二氧化碳作为色谱流动相和离子迁移漂移气。在适当的色谱保留时间下，离子迁移谱对每种化合物产生不同的光谱。离子迁移率检测比紫外检测具有更高的灵敏度。合成了新的聚丙烯酸液晶化合物作为GC和sfc毛细管柱的选择液相，在IMS漂移管后结合四极杆质谱，构建了GC/SFC-IMS-QMS仪器，建立了高选择性、高灵敏度的检测系统。

Fundamental study and development of the atmospheric pressure ion mobility spectrometry (IMS) was carried out.Carbon dioxide, reported not suitable for the medium in ion mobility study, was applied to the carrier gas and drift gas in IMS. Both positive and negative ions of carboxylic acid esters gave similar spectrum as obtained in nitrogen drift gas except the very low mobility due to the formation of cluster ions.Reduced mobility of various compounds such as nitrogen containing heterocyclic compounds, polyaromatics, alkylamine, amino acid and carboxylic acid esters etc. have been studied in relation to the molecular size and shape. A single peak method is used to calculate a resolution value equal to the theoretical number of peaks that can be separated prior to the peak from which the measurements are made. To predict selectivity of an ion mobility detector for GC and SFC, a term "reduced drift constant" was defined. With this value, ion mobility separation between two ions can be predicted from literature data.A capillary supercritical fluid chromatograph (SFC) with on-column UV detector and IMS was constructed. Carbon dioxide was used as both the chromatographic mobile phase and the ion mobility drift gas. Ion mobility spectra at appropriate chromatographic retention times produced distinct spectra for each of the compounds. The high sensitivity of ion mobility detection over UV detection can be achieved.New polyacrylic liquid crystalline compounds were synthesized as selective liquid phases for capillary column in GC and SFC.Quadrupole mass spectrometry was combined after the IMS drift tube and constructed the GC/SFC-IMS-QMS instrument to develop a system which can achieve highly selective and sensitive detection.