Development and application of ion mobility spectrometry.

对大气压离子迁移率光谱(IMS)进行了基础性研究和发展，将不适合作为离子迁移率研究介质的二氧化碳应用于IMS中的载气和漂移气。除了团簇离子的形成导致迁移率很低外，羧酸酯的正离子和负离子与在氮气中得到的光谱相似。研究了含氮杂环化合物、多芳烃、烷基胺、氨基酸和羧酸酯等化合物的还原迁移率与分子大小和形状的关系。单峰法用于计算分辨率值，该值等于在进行测量的峰之前可以分离的峰的理论数目。为了预测离子迁移率检测器对GC和SFC的选择性，定义了一个术语“折合漂移常数”。利用此值，可以从文献数据中预测两个离子之间的离子迁移率分离。构建了一个带有在柱紫外检测器和IMS的毛细管超临界流体色谱仪(SFC)。采用二氧化碳作为色谱柱流动相和离子迁移率漂移气。离子迁移率光谱在适当的色谱保留时间为每种化合物产生不同的光谱。合成了新型聚丙烯酸酯类液晶化合物作为毛细管色谱柱和超临界流体色谱柱的选择液相，通过IMS漂移管结合四极杆质谱仪，构建了GC/SFC-IMS-QMS检测系统，实现了高选择性和高灵敏度的检测。

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.