In this study, the classes and structures of nitrogen species in coker gas oil (CGO) are characterized by electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) combined with Fourier transform infrared (FT-IR) spectroscopy. The results demonstrate that the m/z of basic and non-basic nitrogen compounds ranges from 180 to 560 and from 200 to 460, respectively. Six basic nitrogen compounds, N1 (a molecule contains one nitrogen atom, similarly hereinafter), N1O1, N1O1S1, N1O2, N1S1, and N2, are identified by their positive-ion mass spectra, and four non-basic nitrogen compounds, N1, N1O1, N1S1, and N2, are characterized by their negative-ion mass spectra. Among these nitrogen compounds, the N1 class species are the most predominant. Combined with the data of ESI FT-ICR MS and FT-IR, the basic N1 class species are likely pyridines, naphthenic pyridines, quinolines, and benzoquinolines. The most non-basic N1 class species are derivatives of benzocarbazole. The N2 class species are likely amphoteric molecules with pyridine and pyrrole core structures.

中文翻译：

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电喷雾电离傅立叶变换离子回旋共振质谱和傅里叶变换红外光谱法表征焦化瓦斯油中的氮化合物。

本研究通过电喷雾电离（ESI）傅立叶变换离子回旋共振质谱（FT-ICR MS）结合傅里叶变换红外（FT-IR）光谱学研究了焦化瓦斯油（CGO）中氮的种类和结构。结果表明，m / z碱性和非碱性氮化合物的含量分别为180至560和200至460。六个碱性氮化合物N1（一个分子中包含一个氮原子，下同）N1O1，N1O1S1，N1O2，N1S1和N2，通过其正离子质谱图鉴定，而四个非碱性氮化合物N1，N1O1 N1，S1和N2的特征在于它们的负离子质谱图。在这些氮化合物中，最主要的是N1类物质。结合ESI FT-ICR MS和FT-IR的数据，基本的N1类物质可能是吡啶，环烷吡啶，喹啉和苯并喹啉。最非碱性的N1类物质是苯并咔唑的衍生物。N 2类物质可能是具有吡啶和吡咯核心结构的两性分子。