High-resolution mass spectrometry enables molecular characterization of heavy petroleum fractions for petroleomics research. However, results from mass spectrometry are usually not quantitative. This paper provides strategies and solutions for obtaining quantitative analysis of a heavy petroleum fraction. The fluid catalytic cracking (FCC) slurry decant oil and its fractions were characterized by high-resolution Orbitrap mass spectrometry with various ionization techniques, such as positive- and negative-ion electrospray ionization, positive-ion atmospheric pressure photoionization, and chemical derivatizations. Molecular compositions obtained from various methods were combined and normalized using elemental composition of the FCC decant oil and its fractions. More than 7000 molecules of 20 class species were assigned and quantified. Aromatic hydrocarbon was the most abundant, accounting for 49.6 wt % of FCC decant oil. The non-basic N₁O₃ class species had a minimum content of 0.03 wt %. The concentration-assigned molecules ranged from 2.0 × 10^–3 to 2.1 × 10⁴ wppm for C₂₂H₁₅N₂ to C₁₈H₁₂, respectively.

中文翻译：

---

重油馏分的定量分子组成：以流化催化裂化Dec油为例

高分辨率质谱分析可实现对重油馏分的分子表征，用于石油化学研究。但是，质谱分析的结果通常不是定量的。本文提供了获得重质石油馏分定量分析的策略和解决方案。流体催化裂化（FCC）浆液倾析油及其馏分通过高分辨率Orbitrap质谱仪和各种电离技术进行了表征，这些技术包括正离子和负离子电喷雾电离，正离子大气压光电离和化学衍生化。将从各种方法获得的分子组成合并，并使用FCC倾析油及其馏分的元素组成进行归一化。分配和定量了20种类别的7000多个分子。芳烃含量最高，占FCC倾析油的49.6 wt％。非基本N₁ O ₃类物质的最小含量为0.03 wt％。对于C ₂₂ H ₁₅ N ₂到C ₁₈ H ₁₂，分配的分子浓度分别为2.0×10 ^–3至2.1×10 ⁴ wppm 。