傅立叶变换离子回旋共振质谱（FT-ICR MS）以其超高的质谱分辨率和质量精确度，推动石油化学研究进入"石油组学"（Petroleomics）的新时代。从分子水平研究重质油化学组成以及化学组成与转化性能之间的关系，是当前石油化学研究的热点问题。基于FT-ICR MS 技术对特定化合物的定性认识已经取得了突破性进展，然而相关研究却很难向前推进，核心问题是缺少对重质油组成形成全面认识的定量分析方法。本项目将从基础方法入手，研究FT-ICR MS 分析过程中石油组分的电离机理、离子间抑制作用、离子-分子反应、离子稳定性与传输效率等问题，以及重质油中不同类型化合物的有效电离途径，在此基础上建立重质油分子组成研究的定性、定量分析方法，对典型重质油样品进行系统的分子组成表征，建立重质油分子组成数据库。研究成果为石油化学相关研究奠定理论和方法基础，对重质油的勘探、开发和加工利用具有重大的应用价值。

Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS), which has ultra-high resolving power and mass accuracy, is used to characterize crude oils in recent years, and launched a new field namely "petroleomics". It is the hot topic of petroleum chemistry to investigate the relationship between the chemical composition of a crude oil and its properties and reactivity. Break through on qualitative characterization of heavy petroleum crude oil has been made in the past decade. However, it seems difficult to get new progress for the quantitative characterization of these supercomplex mixture. This project will perform basic methodology research of FT-ICR MS for petroleomics application. The major topics include the mechanism of electrospray, ions suppression, reactions between ions and molecules, steability of ions, and ion transformission effiency.Qualitive and quantitative characterization methods would be established to characterize the representative heavy petroleum crude oils. A database based on the molecular composition will be construct and hold the huge information obtained by FT-ICR MS. The results will lay a foundation of theory and methodology for petroleum chemistry, it is valuable for the fields include petroleum explorition, exploitation, and utilization of heavy petroleum crude oils.