傅立叶变换离子回旋共振质谱仪在石油组成分析中的应用

傅立叶变换离子回旋共振质谱仪(FT-ICR MS)是一种具有超高质量分辨能力的质谱仪，在石油组分相对分子质量范围(200～1 000 u)内，其分辨率能够达到几十万甚至上百万，这种分辨能力可以精确地确定由C、H、S、N、O以及它们主要同位素所组成的各种元素组合，真正从分子元素组成层次上研究石油组成。电喷雾(ESI)电离源可以从高浓度复杂烃类基质中选择性地电离石油组分中微量的杂原子极性化合物，ESI与FT-ICR MS相结合已经成为重质油非烃化合物分析的一种重要手段。本文介绍了FT-ICR MS的基本原理及近年来的发展趋势，石油组分的电离化方法及数据处理技术，综述了近期利用FT-ICR MS对石油组成取得的新认识，以及该仪器手段在石油有机地球化学、油田化学、炼油化工等领域的应用情况。尽管在重质油组成定量分析方面还存在一些技术问题，FT-ICR MS无疑将成为石油化学研究和石油工业生产过程的重要检测工具。

Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Its Application in Petroleum Analysis

Ultrahigh-resolution fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS) provides a average mass resolving power of more than 300 000 from 200 to 1 000 u. It is therefore now possible to positively identify the elemental compositions of petroleum by accurate mass measurement with an average deviation of less than 1 mDa from each assigned elemental composition. Compounds were sorting to “classes” (i.e., numbers of N, O, and S atoms), “types” (rings plus double bonds), and alkylation (( CH₂)_n) distributions. Selective ionization by ESI affords direct detection of polarity hetero-atom compounds (nitrogen compounds and carboxylic acids) in petroleum without pre-chromatographic isolation. Ion electrospray ionization(ESI) coupled with FT-ICR MS has become one powerful analysis technology for petroleum chemistry. This paper offers an introduction to the principles, generic applications, and data processing of FT-ICR MS in petroleum analysis, reviewed the main development on petroleum composition research, and the application of FT-ICR MS on organic geochemistry, oilfield chemistry, and petroleum chemical engineering. Although it is exist some problems on quantification, FT-ICR MS providing very good potential applications in petroleum and petroleum chemical industry.