The influence of lithofacies on the composition of NSO (nitrogen-, sulfur- and oxygen- containing) compounds in unconventional petroleum systems has been investigated using examples of biogenic carbonate-rich Niobrara Shale, biogenic quartz-rich Barnett Shale and detrital clay-rich Posidonia Shale. The chosen sample sets all contain Type II marine kerogen in the peak–late oil window. Solvent extracts were analyzed using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), combined with atmospheric pressure photoionization in positive ion mode ((+)-APPI) and electrospray ionization in negative ion mode ((−)-ESI). Covering source and reservoir units, our study furthermore enables tracing the impact of lithofacies on primary petroleum migration within the Niobrara and Barnett shales.

Siliciclastic Barnett and Posidonia shale extracts reveal higher proportions of NSO compounds confirming their generally higher retention capacities for polar organic compounds. However, different retention specificities of biogenic quartz- and clay-rich rocks are indicated by varying NSO compound compositions in their bitumen fraction: biogenic quartz preferentially preserves and retains organonitrogen compounds, while the more polar acidic organooxygen species are preferably retained by clay minerals. Extracts from the carbonate rocks contain a larger fraction of nonaromatic cyclic sulfoxides and amides that are likely formed by oxidation processes during maturation of organic matter.

Fractionations induced by the intra-formation migration differ between the Barnett and Niobrara sample sets. While low-polarity organonitrogen species are retained in both Barnett (to a greater extent) and Niobrara source units, a preferential migration of highly alkylated and small acidic NSO components out of the source is only observed in the Niobrara samples.

通过使用富含生物碳酸盐的Niobrara页岩，富含生物石英的Barnett页岩和富含碎屑粘土的Posidonia的例子，研究了岩相对非常规石油系统中NSO（含氮，硫和氧的化合物）组成的影响。页岩。选定的样品组在峰后期油窗中均包含II型海洋干酪根。使用傅里叶变换离子回旋共振质谱（FT-ICR-MS），在正离子模式（（+）-APPI）下与大气压力光电离和在负离子模式（（-）-ESI）下进行电喷雾电离相结合来分析溶剂提取物。涵盖源和储层单元，我们的研究还可以追踪岩相对Niobrara和Barnett页岩内主要石油运移的影响。

硅弹性Barnett和Posidonia页岩提取物显示出较高比例的NSO化合物，从而证实了它们通常对极性有机化合物的保留能力更高。但是，通过改变沥青成分中的NSO化合物组成，可以使生物来源的石英和富含粘土的岩石具有不同的保留特异性：生物来源的石英优先保留和保留有机氮化合物，而极性更强的酸性有机氧物质最好被粘土矿物保留。碳酸盐岩中的提取物含有较大比例的非芳族环状亚砜和酰胺，这很可能是有机物成熟过程中的氧化过程所形成的。

在Barnett和Niobrara样品组之间，由内部成因迁移引起的馏分有所不同。虽然Barnett（在更大程度上）和Niobrara源单元中都保留了低极性有机氮物质，但只有在Niobrara样品中才能观察到高烷基化和少量酸性NSO组分优先从源中迁移出来。