岩石抽提物中极性化合物超高分辨质谱识别

Characterization of Polar Species in Rock Extracts by Ultrahigh Resolution Mass Spectrometry

采用具有超高分辨率的负离子电喷雾-傅立叶变换离子回旋共振质谱（ESI FT-ICR MS）分析了储层岩石抽提物中的石油酸及中性氮化物的分子组成,得到了抽提物中杂原子化合物类型分布、等效双键数（Double bonds equivalent,DBE）及碳数分布特征.研究结果表明,储层抽提物中含有多达16种不同杂原子类型的化合物,包括N1、N1O1、N1O2、N1O3、N1S1、N1S2、N2、N2S1、O1、O1S1、O2、O2S1、O1S2、O2S2、O3和O4,其中N1、N1S1、O2及O2S1类具有较高的相对丰度.抽提物中的N1类化合物以咔唑和苯并咔唑类化合物为主;N1S1类化合物以C2～C8烷基取代的咔唑并苯并噻吩类化合物为主;O2类化合物主要为1～2环环烷酸,其次还在抽提物中鉴别出具有较高相对丰度的DBE为5和6的O2类化合物;而O2S1类化合物中以DBE为7和8的O2S1具有最高的相对丰度.

Acidic and neutral NSO compounds in a petroleum reservoir core extract were characterized by negative-ion electrospray（ESI）-Fourier transform ion cyclotron resonance mass spectrometry （FT-ICR MS）.Heteroatomic species were characterized according to their class（number of nitrogen,oxygen and sulfur heteroatoms）,degree of aromaticity [double bonds equivalent （DBE）],and carbon number.The results showed that 16 heteroatom class species were identified in the extract,including N1,N1O1,N1O2,N1O3,N1S1,N1S2,N2,N2S1,O1,O1S1,O2,O2S1,O1S2,O2S2,O3 and O4 heteroatom classes.The N1,N1S1,O2 and O2S1 class species were abundant.For N1 species,the most abundant compounds were carbazoles and benzocarbazoles.For N1 S1 species,the most abundant compounds were carbazole flanked on a thiophene ring of benzothiophene （DBE =14） with C2-C8 alkyls.The most abundant O2 class species were 1-and 2-rings naphthenic acids,high abundant O2 species with DBE values of 5 and 6 were also identified.In addition,the O2S1 class species with DBE values of 7 and 8 were the most abundant.