ComMSnDB-An Automatable Strategy to Identify Compounds from MS Data Sets (Identification of Gypenosides as an Example)
- 14 October 2020
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Agricultural and Food Chemistry
- Vol. 68 (41), 11368-11388
- https://doi.org/10.1021/acs.jafc.0c03693
Abstract
Gynostemma pentaphyllum (Thunb.) Makino is a popular functional food and is also used as an important medicinal plant in China. Gypenoside, the main active constituent in G. pentaphyllum (Thunb.) Makino, belongs to dammarane-type triterpenoid saponins. Due to its high molecular weight and high polarity, it is difficult to obtain complete compound information for gypenoside extracts via mass spectrometry experiments. In this study, an automated targeted data postprocessing strategy called Compound MSn Database (ComMS(n)DB) was designed and established to elucidate compounds in gypenoside extracts based on ultrahigh-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UHPLC-ESI-Q-TOF-MS/MS). As a result, 18 types of and 199 main saponin constituents, including 47 potential novel compounds, were tentatively identified from different habitats. At the same time, 15 gypenoside standard compounds were used to verify the feasibility of the ComMS(n)DB strategy. These results demonstrated that ComMS(n)DB offers practical value for quick, automated, and effective compound identification.Keywords
Funding Information
- Shanghai Municipality (17DZ2203400)
This publication has 72 references indexed in Scilit:
- Two new saponins from tetraploid jiaogulan (Gynostemma pentaphyllum), and their anti-inflammatory and α-glucosidase inhibitory activitiesFood Chemistry, 2013
- Identification and Quantification of Phytochemical Composition and Anti-inflammatory and Radical Scavenging Properties of Methanolic Extracts of Chinese PropolisJournal of Agricultural and Food Chemistry, 2012
- Diagnostic ion filtering to characterize ginseng saponins by rapid liquid chromatography with time-of-flight mass spectrometryJournal of Chromatography A, 2012
- Triterpenoid saponins fromGynostemma pentaphyllumJournal of Asian Natural Products Research, 2011
- Three New Triterpene Saponins from Gynostemma pentaphyllumHelvetica Chimica Acta, 2010
- A new dammarane-type triterpene saponin from Gynostemma pentaphyllumChinese Chemical Letters, 2010
- Nine New Dammarane Saponins from Gynostemma pentaphyllumChemistry & Biodiversity, 2006
- Dammarane-type glycosides from Gynostemma pentaphyllumPhytochemistry, 1997
- New Triterpenoid Saponins from Gynostemma pentaphyllumJournal of Natural Products, 1996
- Two glycosides of a novel dammarane alcohol from Gynostemma pentaphyllum.CHEMICAL & PHARMACEUTICAL BULLETIN, 1981