A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry
<i>Plantago asiatica</i> L. (PAL) as a medicinal and edible plant is rich in chemical compounds, which makes the systematic and comprehensive characterization of its components challenging. In this study, an integrated strategy based on three-dimensional separation including AB-8 macropo...
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| Format: | Article |
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MDPI AG
2022-07-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/13/4302 |
| _version_ | 1797442534398492672 |
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| author | Hongxue Gao Zhiqiang Liu Fengrui Song Junpeng Xing Zhong Zheng Shu Liu |
| author_facet | Hongxue Gao Zhiqiang Liu Fengrui Song Junpeng Xing Zhong Zheng Shu Liu |
| author_sort | Hongxue Gao |
| collection | DOAJ |
| description | <i>Plantago asiatica</i> L. (PAL) as a medicinal and edible plant is rich in chemical compounds, which makes the systematic and comprehensive characterization of its components challenging. In this study, an integrated strategy based on three-dimensional separation including AB-8 macroporous resin column chromatography, ultra-high performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF MS), and ultra-high performance liquid chromatography-mass spectrometry with ion-mobility spectrometry (UHPLC-IM-MS) was established and used to separate and identify the structures of compounds from PAL. The extracts of PAL were firstly separated into three parts by AB-8 macroporous resin and further separated and identified by UHPLC-Q-TOF MS and UHPLC-IM-MS, respectively. Additionally, UHPLC-IM-MS was used to identify isomers and coeluting compounds, so that the product ions appearing at the same retention time (RT)can clearly distinguish where the parent ion belongs by their different drift times. UNIFI software was used for data processing and structure identification. A total of 86 compounds, including triterpenes, iridoids, phenylethanoid glycosides, guanidine derivatives, organic acids, and fatty acids, were identified by using MS information and fragment ion information provided by UHPLC-Q-TOF MS and UHPLC-IM-MS. In particular, a pair of isoforms of plantagoside from PAL were detected and identified by UHPLC-IM-MS combined with the theoretical calculation method for the first time. In conclusion, the AB-8 macroporous resin column chromatography can separate the main compounds of PAL and enrich the trace compounds. Combining UHPLC-IM-MS and UHPLC-Q-TOF MS can obtain not only more fragments but also their unique drift times and RT, which is more conducive to the identification of complex systems, especially isomers. This proposed strategy can provide an effective method to separate and identify chemical components, and distinguish isomers in the complex system of traditional Chinese medicine (TCM). |
| first_indexed | 2024-03-09T12:43:16Z |
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| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T12:43:16Z |
| publishDate | 2022-07-01 |
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| series | Molecules |
| spelling | doaj.art-daba57eee1604c17ac732da1b411af1e2023-11-30T22:15:36ZengMDPI AGMolecules1420-30492022-07-012713430210.3390/molecules27134302A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility SpectrometryHongxue Gao0Zhiqiang Liu1Fengrui Song2Junpeng Xing3Zhong Zheng4Shu Liu5Jilin Provincial Key Laboratory of Chinese Medicine Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, ChinaJilin Provincial Key Laboratory of Chinese Medicine Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, ChinaJilin Provincial Key Laboratory of Chinese Medicine Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, ChinaJilin Provincial Key Laboratory of Chinese Medicine Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, ChinaJilin Provincial Key Laboratory of Chinese Medicine Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, ChinaJilin Provincial Key Laboratory of Chinese Medicine Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China<i>Plantago asiatica</i> L. (PAL) as a medicinal and edible plant is rich in chemical compounds, which makes the systematic and comprehensive characterization of its components challenging. In this study, an integrated strategy based on three-dimensional separation including AB-8 macroporous resin column chromatography, ultra-high performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF MS), and ultra-high performance liquid chromatography-mass spectrometry with ion-mobility spectrometry (UHPLC-IM-MS) was established and used to separate and identify the structures of compounds from PAL. The extracts of PAL were firstly separated into three parts by AB-8 macroporous resin and further separated and identified by UHPLC-Q-TOF MS and UHPLC-IM-MS, respectively. Additionally, UHPLC-IM-MS was used to identify isomers and coeluting compounds, so that the product ions appearing at the same retention time (RT)can clearly distinguish where the parent ion belongs by their different drift times. UNIFI software was used for data processing and structure identification. A total of 86 compounds, including triterpenes, iridoids, phenylethanoid glycosides, guanidine derivatives, organic acids, and fatty acids, were identified by using MS information and fragment ion information provided by UHPLC-Q-TOF MS and UHPLC-IM-MS. In particular, a pair of isoforms of plantagoside from PAL were detected and identified by UHPLC-IM-MS combined with the theoretical calculation method for the first time. In conclusion, the AB-8 macroporous resin column chromatography can separate the main compounds of PAL and enrich the trace compounds. Combining UHPLC-IM-MS and UHPLC-Q-TOF MS can obtain not only more fragments but also their unique drift times and RT, which is more conducive to the identification of complex systems, especially isomers. This proposed strategy can provide an effective method to separate and identify chemical components, and distinguish isomers in the complex system of traditional Chinese medicine (TCM).https://www.mdpi.com/1420-3049/27/13/4302<i>Plantago asiatica</i> L.UHPLC-Q-TOF MSion mobility spectrometrymacroporous resin |
| spellingShingle | Hongxue Gao Zhiqiang Liu Fengrui Song Junpeng Xing Zhong Zheng Shu Liu A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry Molecules <i>Plantago asiatica</i> L. UHPLC-Q-TOF MS ion mobility spectrometry macroporous resin |
| title | A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry |
| title_full | A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry |
| title_fullStr | A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry |
| title_full_unstemmed | A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry |
| title_short | A Strategy for Identification and Structural Characterization of Compounds from <i>Plantago asiatica</i> L. by Liquid Chromatography-Mass Spectrometry Combined with Ion Mobility Spectrometry |
| title_sort | strategy for identification and structural characterization of compounds from i plantago asiatica i l by liquid chromatography mass spectrometry combined with ion mobility spectrometry |
| topic | <i>Plantago asiatica</i> L. UHPLC-Q-TOF MS ion mobility spectrometry macroporous resin |
| url | https://www.mdpi.com/1420-3049/27/13/4302 |
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