Abstract Detailed structural information on sulfur-containing aromatic compounds in heavy oils is valuable for the petroleum industry. In this work, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) combined with collision-induced dissociation (CID) was applied to study the structures of sulfur-containing aromatic compounds in vacuum gas oil (VGO) and vacuum residue (VR). The parent ions of the sulfur-containing model compounds and high-sulfur heavy oils were isolated by the quadrupole in FT-ICR MS with a narrow isolation window of 1 Da. For most of the sulfur-containing model compounds, removal of S atoms was achieved in the collision voltage range 10–30 V. On the other hand, the removal of S atoms from the sulfur-containing compounds in heavy oils was restrained by optimization of the collision voltage. The structures of VGO and VR were also studied by CID FT-ICR MS with a narrow isolation window at the optimal collision voltages. The results suggested that naphtheno-aromatic sulfur-containing compounds were components of heavy oils and that the structural diversity of the heavy oils increased significantly with an increase in molecular weight.

中文翻译：

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窄隔离窗 FT-ICR 质谱对重油中含硫芳香化合物的结构表征

摘要 重油中含硫芳烃化合物的详细结构信息对石油工业很有价值。在这项工作中，傅里叶变换离子回旋共振质谱（FT-ICR MS）结合碰撞诱导解离（CID）被应用于研究减压瓦斯油（VGO）和减压渣油（VR）中含硫芳族化合物的结构。 ）。含硫模型化合物和高硫重油的母离子在 FT-ICR MS 中通过四极杆以 1 Da 的窄分离窗口进行分离。对于大多数含硫模型化合物，在 10-30 V 的碰撞电压范围内实现了 S 原子的去除。另一方面，重油中含硫化合物中 S 原子的去除通过优化碰撞电压。VGO 和 VR 的结构也通过 CID FT-ICR MS 研究，在最佳碰撞电压下具有窄隔离窗口。结果表明，环烷-芳族含硫化合物是重油的组成成分，重油的结构多样性随着分子量的增加而显着增加。