Structural characterization and mass spectrometry fragmentation signatures of macrocyclic alkanes isolated from a Sydney Basin torbanite,Australia

作     者：Xianxin Meng Hong Lu Zhirong Zhang Ping’an Peng John K.Volkman Xianxin Meng;Hong Lu;Zhirong Zhang;Ping'an Peng;John K.Volkman

作者机构：State Key Laboratory of Organic GeochemistryGuangzhou Institute of Geochemistry and Institutions of Earth ScienceChinese Academy of SciencesGuangzhou 510640China CAS Center for Excellence in Deep Earth ScienceGuangzhou 510640China University of the Chinese Academy of SciencesBeijing 100049China Wuxi Institute of Petroleum GeologyPEPRISSINOPEC2060 Lihu Rd.Wuxi 214126JiangsuChina Key Laboratory of Oil and Gas Resources and Exploration TechnologyMinistry of EducationCollege of Resources and EnvironmentYangtze UniversityWuhan 430100China 

出 版 物：《Acta Geochimica》 (地球化学学报（英文）)

年 卷 期：2023年第42卷第3期

页      面：488-494页

核心收录：

学科分类：070902[理学-地球化学] 081704[工学-应用化学] 0709[理学-地质学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070302[理学-分析化学] 0703[理学-化学] 

基　　金：the financial support from The Strategic Priority Research Program of the Chinese Academy of Sciences(XDA14010102) Chinese National Science Foundation grants(41973069 41673045) 

主　　题：Macrocyclic alkanes Torbanite NMR Preparative GC MS fragmentation 

摘      要：Individual hydrocarbons identified to be macrocyclic alkanes in a torbanite from the Sydney Basin(Australia)were successfully isolated from its extracts using preparative gas chromatography and analyzed by *** cyclic structures were confirmed by single peaks in the NMR~1H and~(13)C spectra indicating single forms of H and C atoms exist in these biomarker *** is consistent with the methylene unit in a ring system assignment of the macrocyclic alkanes and accounts for a formula of(CH2)*** unusual molecular structures of these compounds are consistent with those that were identified from previous GC retention index data and co-injection with a standard supports the previous *** mass spectral fragmentation behaviors of representative cyclic alkanes were further investigated by comparing them with the mass spectra of isolated individual macrocyclic *** characteristic fragment ions in the macrocyclic alkanes of(M–28)+and base peaks of m/z 97,111,125,etc.,can be assigned as being generated by simple a-/i-cleavage and hydrogen *** fragmentation pathways combined with retention indices should assist in differentiating these compounds from monounsaturated alkenes and alkylated monocyclics having similar mass spectral characteristics in other geological samples.