与行星环境相关的复杂有机物质中含氮分子的HPLC-Orbitrap鉴定方法的发展
Development of HPLC-Orbitrap method for identification of N-bearing molecules in complex organic material relevant to planetary environments
摘要：
虽然卡西尼号太空船和惠更斯号着陆器提供了许多关于土卫六大气化学和气溶胶形成的信息，但这些气溶胶的确切成分仍然未知。研究这些气溶胶的一个富有成效的替代方法是使用实验室实验，允许生产和研究泰坦气溶胶的类似物，即所谓的托林。即使在实验室中生产，由于材料的高度复杂性，揭示气溶胶的确切成分仍然是一个问题。最近使用高分辨率质谱法（HRMS）（Pernot等人，2010年; Somogyi等人，2012年; Gautier等人，2014年）取得了许多进展，这些进展允许分离同量异序化合物，并根据其分子式对组成托林的化学物质进行稳健鉴定。然而，同分异构物质不能通过简单的质量测量来分辨。在这里，我们提出了一个分析的托林的高效液相色谱法（HPLC）耦合到高分辨质谱仪揭示这种异构体的模糊性的一些主要托林化合物。通过比较分析托林和化学标准品时获得的色谱图，我们严格鉴定了我们的托林样品中的七种分子：三聚氰胺、氰基胍、6-甲基-1，3，5-三嗪-2，4-二胺、2，4，6-三氨基嘧啶、3-氨基-1，2，4-三唑、3，5-二甲基-1，2，4-三唑和2，4-二氨基-1，3，5-三嗪。在我们的样品中，包括六亚甲基三胺（HMT）在内的几种分子均未达到可检测水平。第一次使用的耦合HPLC-HRMS技术应用于tholins的研究表明，这种技术相比，单一的高分辨率质谱的研究tholins组合物的兴趣。
英文摘要：
Although the Cassini Spacecraft and the Huygens lander provided numerous information about Titan atmospheric chemistry and the formation of its aerosols, the exact composition of these aerosols still remains unknown. A fruitful proxy to investigate these aerosols is the use of laboratory experiments that allow producing and studying analogs of Titan aerosol, the so35 called tholins. Even when produced in the laboratory, unveiling the exact composition of the aerosol remains problematic due to the high complexity of the material. Numerous advances have been recently made using high-resolution mass spectrometry (HRMS) (Pernot et al. 2010, Somogyi et al. 2012, Gautier et al. 2014) that allowed the separation of isobaric compounds and a robust identification of chemical species composing tholins regarding their molecular formulae. Nevertheless isomeric species cannot be resolved by a simple mass measurement. We propose here an analysis of tholins by high performance liquid chromatography (HPLC) coupled to HRMS to unveil this isomeric ambiguity for some of the major tholins compounds. By comparing chromatograms obtained when analyzing tholins and chemical standards, we strictly identified seven molecules in our tholins samples: melamine, cyanoguanidine, 6-methyl-1,3,5-triazine-2,4-diamine, 2,4,6-triaminopyrimidine, 3-amino- 1,2,4-triazole, 3,5-Dimethyl-1,2,4-triazole and 2,4-diamino-1,3,5-triazine. Several molecules, including hexamethylenetriamine (HMT) were not present at detectable levels in our sample. The use for the first time of a coupled HPLC-HRMS technique applied to tholins study demonstrated the interest of such a technique compared to single high-resolution mass spectrometry for the study of tholins composition.
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