Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions

Yidi Wang (), Shuofan Li, Jianxun Wu, Bo Zhang and Yahe Zhang
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Yidi Wang: State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, China
Shuofan Li: State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, China
Jianxun Wu: State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, China
Bo Zhang: State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, China
Yahe Zhang: State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, China

Energies, 2023, vol. 16, issue 9, 1-12

Abstract: Electrospray ionization (ESI) coupled with high-resolution mass spectrometry (HRMS) is rapidly developing into a powerful tool for the molecular characterization of petroleum fractions. However, the occurrence of ion–molecule aggregates seriously affects the interpretation of the mass spectrometry results. Ion–molecule aggregates are not inherent compounds in petroleum but they are produced during the analysis of petroleum samples by high-resolution mass spectrometry. Also, the classes of aggregates are the same as many compounds in petroleum. Therefore, the removal of these species is crucial, and their analysis from methods of dissociation and mechanism points of view is essential for this purpose. In this study, aggregates of a vacuum gas oil fraction were analyzed and the types were defined. The compositions of the aggregates were characterized by changing operating conditions. Several factors affecting the aggregates were evaluated by a parameter of dissociation efficiency. By establishing the operating methods, the residual content of the aggregates can be controlled by less than 1% of the total ions. The results are instructive for the molecular characterization of petroleum fractions by using mass spectrometry with ESI ionization.

Keywords: electrospray ionization; petroleum fraction; ion–molecule aggregates; dissociation; Orbitrap MS (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2023
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