Abstract Catalytic deoxygenation of coal enhances the stability and combustion performance of coal-derived liquid fuels. However, determination of the selectivity of removal of oxygen atoms incorporated in or residing outside of aromatic rings is challenging. This limits the ability to evaluate the success of catalytic deoxygenation processes. A mass spectrometric method, in-source collision-activated dissociation (ISCAD), combined with high resolution product ion detection, is demonstrated to allow the determination of whether the oxygen atoms are in aromatic compounds reside outside of aromatic rings or part of the aromatic system, because alkyl chains can be removed from aromatic cores via ISCAD. Application of this method for the analysis of a subbituminous coal treated using a supported catalyst revealed that the catalytic treatment reduced the number of oxygen-containing heteroaromatic rings but not the number of oxygen atoms residing outside the aromatic rings.

中文翻译：

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催化脱氧后芳香族化合物核心结构的串联质谱评估

摘要 煤的催化脱氧提高了煤基液体燃料的稳定性和燃烧性能。然而，确定去除加入或驻留在芳环外的氧原子的选择性具有挑战性。这限制了评估催化脱氧过程成功的能力。一种质谱方法，源内碰撞激活解离 (ISCAD)，结合高分辨率子离子检测，被证明可以确定芳族化合物中的氧原子是否位于芳环之外或芳族系统的一部分，因为烷基链可以通过 ISCAD 从芳香核中去除。