We report recent progresses of combining comprehensive two-dimensional gas chromatography (2DGC or GC × GC) separation, field ionization (FI), and time-of-flight mass spectrometry (TOF MS) for the detailed analysis of vacuum gas oil distillation (VGO) cuts. 2DGC separates petroleum molecules by the combination of boiling point and polarity. FI generates molecule ions-only mass spectra. TOF MS allows accurate mass analysis of hydrocarbon molecules. A new data analysis strategy is implemented for compositional analysis. First, all masses were separated into nominal mass classes. Since petroleum homologues have unique Kendrick mass defects (KMD), KMD plots were generated for easy recognition of homologues series within each nominal mass class. Finally, KMD windows were imposed for complete resolution of petroleum molecules. Using this approach, a total of 16 hydrocarbon types, 14 sulfur types, and their carbon number distributions were determined in the three VGO distillation cuts. Two series of geological biomarkers were also revealed by the analysis.

中文翻译：

---

通过综合二维气相色谱、场电离和高分辨率质谱法对重质石油馏分进行成分分析。

我们报告了结合综合二维气相色谱 (2DGC 或 GC × GC) 分离、场电离 (FI) 和飞行时间质谱 (TOF MS) 对真空轻油蒸馏 (VGO) 进行详细分析的最新进展) 削减。2DGC 通过沸点和极性的组合来分离石油分子。FI 生成仅分子离子的质谱。TOF MS 允许对碳氢化合物分子进行准确的质量分析。为成分分析实施了一种新的数据分析策略。首先，所有质量都被分成名义质量等级。由于石油同系物具有独特的 Kendrick 质量缺陷 (KMD)，因此生成了 KMD 图以便轻松识别每个标称质量类别中的同系物系列。最后，为了完全解析石油分子，强加了 KMD 窗口。使用这种方法，在三个 VGO 蒸馏馏分中确定了总共 16 种烃类、14 种硫类及其碳数分布。分析还揭示了两个系列的地质生物标志物。