Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions
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 r...
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MDPI AG
2023-04-01
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| Series: | Energies |
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| Online Access: | https://www.mdpi.com/1996-1073/16/9/3796 |
| _version_ | 1797602708658585600 |
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| author | Yidi Wang Shuofan Li Jianxun Wu Bo Zhang Yahe Zhang |
| author_facet | Yidi Wang Shuofan Li Jianxun Wu Bo Zhang Yahe Zhang |
| author_sort | Yidi Wang |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T04:20:27Z |
| format | Article |
| id | doaj.art-b7eddc63aa3d4765b9240274219b6438 |
| institution | Directory Open Access Journal |
| issn | 1996-1073 |
| language | English |
| last_indexed | 2024-03-11T04:20:27Z |
| publishDate | 2023-04-01 |
| publisher | MDPI AG |
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| series | Energies |
| spelling | doaj.art-b7eddc63aa3d4765b9240274219b64382023-11-17T22:51:50ZengMDPI AGEnergies1996-10732023-04-01169379610.3390/en16093796Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum FractionsYidi Wang0Shuofan Li1Jianxun Wu2Bo Zhang3Yahe Zhang4State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, ChinaState Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, ChinaState Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, ChinaState Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, ChinaState Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, ChinaElectrospray 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.https://www.mdpi.com/1996-1073/16/9/3796electrospray ionizationpetroleum fractionion–molecule aggregatesdissociationOrbitrap MS |
| spellingShingle | Yidi Wang Shuofan Li Jianxun Wu Bo Zhang Yahe Zhang Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions Energies electrospray ionization petroleum fraction ion–molecule aggregates dissociation Orbitrap MS |
| title | Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions |
| title_full | Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions |
| title_fullStr | Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions |
| title_full_unstemmed | Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions |
| title_short | Elimination of the Ion–Molecule Association in Electrospray High-Resolution Mass Spectrometry Analyses for Petroleum Fractions |
| title_sort | elimination of the ion molecule association in electrospray high resolution mass spectrometry analyses for petroleum fractions |
| topic | electrospray ionization petroleum fraction ion–molecule aggregates dissociation Orbitrap MS |
| url | https://www.mdpi.com/1996-1073/16/9/3796 |
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