Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis
Background: In the current phytochemical research on ginseng, the differentiation and structural identification of ginsenosides isomers remain challenging. In this paper, a two-dimensional mass spectrometry (2D-MS) method was developed and combined with statistical analysis for the direct differenti...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-07-01
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| Series: | Journal of Ginseng Research |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1226845317302725 |
| _version_ | 1828184985223299072 |
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| author | Yang Xiu Li Ma Huanxi Zhao Xiuli Sun Xue Li Shuying Liu |
| author_facet | Yang Xiu Li Ma Huanxi Zhao Xiuli Sun Xue Li Shuying Liu |
| author_sort | Yang Xiu |
| collection | DOAJ |
| description | Background: In the current phytochemical research on ginseng, the differentiation and structural identification of ginsenosides isomers remain challenging. In this paper, a two-dimensional mass spectrometry (2D-MS) method was developed and combined with statistical analysis for the direct differentiation, identification, and relative quantification of protopanaxadiol (PPD)-type ginsenoside isomers. Methods: Collision-induced dissociation was performed at successive collision energy values to produce distinct profiles of the intensity fraction (IF) and ratio of intensity (RI) of the fragment ions. To amplify the differences in tandem mass spectra between isomers, IF and RI were plotted against collision energy. The resulting data distributions were then used to obtain the parameters of the fitted curves, which were used to evaluate the statistical significance of the differences between these distributions via the unpaired t test. Results: A triplet and two pairs of PPD-type ginsenoside isomers were differentiated and identified by their distinct IF and RI distributions. In addition, the fragmentation preference of PPD-type ginsenosides was determined on the basis of the activation energy. The developed 2D-MS method was also extended to quantitatively determine the molar composition of ginsenoside isomers in mixtures of biotransformation products. Conclusion: In comparison with conventional mass spectrometry methods, 2D-MS provides more direct insights into the subtle structural differences between isomers and can be used as an alternative approach for the differentiation of isomeric ginsenosides and natural products. Keywords: Differentiation, Ginsenoside isomers, Relative quantification, Two-dimensional mass spectrometry |
| first_indexed | 2024-04-12T06:57:19Z |
| format | Article |
| id | doaj.art-9718096de5054d9887664e6219eb1431 |
| institution | Directory Open Access Journal |
| issn | 1226-8453 |
| language | English |
| last_indexed | 2024-04-12T06:57:19Z |
| publishDate | 2019-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Ginseng Research |
| spelling | doaj.art-9718096de5054d9887664e6219eb14312022-12-22T03:43:07ZengElsevierJournal of Ginseng Research1226-84532019-07-01433368376Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysisYang Xiu0Li Ma1Huanxi Zhao2Xiuli Sun3Xue Li4Shuying Liu5Jilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun, ChinaInstitute of Mass Spectrometer and Atmospheric Environment, Jinan University, Guangzhou, ChinaJilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun, ChinaJilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun, ChinaJilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun, ChinaJilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun, China; Corresponding author. Jilin Ginseng Academy, Changchun University of Chinese Medicine, Changchun 130117, ChinaBackground: In the current phytochemical research on ginseng, the differentiation and structural identification of ginsenosides isomers remain challenging. In this paper, a two-dimensional mass spectrometry (2D-MS) method was developed and combined with statistical analysis for the direct differentiation, identification, and relative quantification of protopanaxadiol (PPD)-type ginsenoside isomers. Methods: Collision-induced dissociation was performed at successive collision energy values to produce distinct profiles of the intensity fraction (IF) and ratio of intensity (RI) of the fragment ions. To amplify the differences in tandem mass spectra between isomers, IF and RI were plotted against collision energy. The resulting data distributions were then used to obtain the parameters of the fitted curves, which were used to evaluate the statistical significance of the differences between these distributions via the unpaired t test. Results: A triplet and two pairs of PPD-type ginsenoside isomers were differentiated and identified by their distinct IF and RI distributions. In addition, the fragmentation preference of PPD-type ginsenosides was determined on the basis of the activation energy. The developed 2D-MS method was also extended to quantitatively determine the molar composition of ginsenoside isomers in mixtures of biotransformation products. Conclusion: In comparison with conventional mass spectrometry methods, 2D-MS provides more direct insights into the subtle structural differences between isomers and can be used as an alternative approach for the differentiation of isomeric ginsenosides and natural products. Keywords: Differentiation, Ginsenoside isomers, Relative quantification, Two-dimensional mass spectrometryhttp://www.sciencedirect.com/science/article/pii/S1226845317302725 |
| spellingShingle | Yang Xiu Li Ma Huanxi Zhao Xiuli Sun Xue Li Shuying Liu Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis Journal of Ginseng Research |
| title | Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis |
| title_full | Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis |
| title_fullStr | Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis |
| title_full_unstemmed | Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis |
| title_short | Differentiation and identification of ginsenoside structural isomers by two-dimensional mass spectrometry combined with statistical analysis |
| title_sort | differentiation and identification of ginsenoside structural isomers by two dimensional mass spectrometry combined with statistical analysis |
| url | http://www.sciencedirect.com/science/article/pii/S1226845317302725 |
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