A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides
Sea cucumber triterpene glycosides are a class of secondary metabolites that possess distinctive chemical structures and exhibit a variety of biological and pharmacological activities. The application of MS-based approaches for the study of triterpene glycosides allows rapid evaluation of the struct...
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| Format: | Article |
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MDPI AG
2023-06-01
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| Series: | Metabolites |
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| Online Access: | https://www.mdpi.com/2218-1989/13/7/783 |
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| author | Roman S. Popov Natalia V. Ivanchina Alexandra S. Silchenko Sergey A. Avilov Vladimir I. Kalinin Timofey V. Malyarenko Valentin A. Stonik Pavel S. Dmitrenok |
| author_facet | Roman S. Popov Natalia V. Ivanchina Alexandra S. Silchenko Sergey A. Avilov Vladimir I. Kalinin Timofey V. Malyarenko Valentin A. Stonik Pavel S. Dmitrenok |
| author_sort | Roman S. Popov |
| collection | DOAJ |
| description | Sea cucumber triterpene glycosides are a class of secondary metabolites that possess distinctive chemical structures and exhibit a variety of biological and pharmacological activities. The application of MS-based approaches for the study of triterpene glycosides allows rapid evaluation of the structural diversity of metabolites in complex mixtures. However, the identification of the detected triterpene glycosides can be challenging. The objective of this study is to establish the first spectral library containing the mass spectra of sea cucumber triterpene glycosides using ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry. The library contains the electrospray ionization tandem mass spectra and retention times of 191 triterpene glycosides previously isolated from 15 sea cucumber species and one starfish at the Laboratory of the Chemistry of Marine Natural Products of the G.B. Elyakov Pacific Institute of Bioorganic Chemistry. In addition, the chromatographic behavior and some structure-related neutral losses in tandem MS are discussed. The obtained data will accelerate the accurate dereplication of known triterpene glycosides and the annotation of novel compounds, as we demonstrated by the processing of LC-MS/MS data of <i>Eupentacta fraudatrix</i> extract. |
| first_indexed | 2024-03-11T00:50:40Z |
| format | Article |
| id | doaj.art-3b22ccc05114451ebc1f8dee41c725e9 |
| institution | Directory Open Access Journal |
| issn | 2218-1989 |
| language | English |
| last_indexed | 2024-03-11T00:50:40Z |
| publishDate | 2023-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Metabolites |
| spelling | doaj.art-3b22ccc05114451ebc1f8dee41c725e92023-11-18T20:27:08ZengMDPI AGMetabolites2218-19892023-06-0113778310.3390/metabo13070783A Mass Spectrometry Database for Sea Cucumber Triterpene GlycosidesRoman S. Popov0Natalia V. Ivanchina1Alexandra S. Silchenko2Sergey A. Avilov3Vladimir I. Kalinin4Timofey V. Malyarenko5Valentin A. Stonik6Pavel S. Dmitrenok7G.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaG.B. Elyakov Pacific Institute of Bioorganic Chemistry, Far Eastern Branch of Russian Academy of Sciences, 159 Prospect 100-let Vladivostoku, Vladivostok 690022, RussiaSea cucumber triterpene glycosides are a class of secondary metabolites that possess distinctive chemical structures and exhibit a variety of biological and pharmacological activities. The application of MS-based approaches for the study of triterpene glycosides allows rapid evaluation of the structural diversity of metabolites in complex mixtures. However, the identification of the detected triterpene glycosides can be challenging. The objective of this study is to establish the first spectral library containing the mass spectra of sea cucumber triterpene glycosides using ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry. The library contains the electrospray ionization tandem mass spectra and retention times of 191 triterpene glycosides previously isolated from 15 sea cucumber species and one starfish at the Laboratory of the Chemistry of Marine Natural Products of the G.B. Elyakov Pacific Institute of Bioorganic Chemistry. In addition, the chromatographic behavior and some structure-related neutral losses in tandem MS are discussed. The obtained data will accelerate the accurate dereplication of known triterpene glycosides and the annotation of novel compounds, as we demonstrated by the processing of LC-MS/MS data of <i>Eupentacta fraudatrix</i> extract.https://www.mdpi.com/2218-1989/13/7/783mass spectrometry databasesea cucumbertriterpene glycosidesmetabolite annotation and identificationmass spectrometryultraperformance liquid chromatography |
| spellingShingle | Roman S. Popov Natalia V. Ivanchina Alexandra S. Silchenko Sergey A. Avilov Vladimir I. Kalinin Timofey V. Malyarenko Valentin A. Stonik Pavel S. Dmitrenok A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides Metabolites mass spectrometry database sea cucumber triterpene glycosides metabolite annotation and identification mass spectrometry ultraperformance liquid chromatography |
| title | A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides |
| title_full | A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides |
| title_fullStr | A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides |
| title_full_unstemmed | A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides |
| title_short | A Mass Spectrometry Database for Sea Cucumber Triterpene Glycosides |
| title_sort | mass spectrometry database for sea cucumber triterpene glycosides |
| topic | mass spectrometry database sea cucumber triterpene glycosides metabolite annotation and identification mass spectrometry ultraperformance liquid chromatography |
| url | https://www.mdpi.com/2218-1989/13/7/783 |
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