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Updated: Jan 20, 2026
Quantitative Metabolomics of Saccharomyces Cerevisiae Using Liquid Chromatography Coupled with Tandem Mass Spectrometry
Published on: January 5, 2021
Structural characterization of secoiridoid glycosides by high-performance liquid chromatography/electrospray
Shufang Wang1, Yimin Xu, Pinghong Chen
1Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou, 310058, P.R. China.
Rationale:
The fragmentation behavior of seven secoiridoid glycosides (SIGs) isolated from Gentiana triflora Pall., a traditional Chinese medicine, was investigated by electrospray ionization ion trap mass spectrometry (ESI-IT-MS).
Methods:
Multistage electrospray ionization mass spectrometry (ESI-MS(n)) experiments both in positive- and negative-ion mode were used to elucidate the main fragmentation pathways of these compounds.
Results:
In full scan mass spectra, different deprotonated or protonated molecules were observed for compounds with different basic structure. Ring cleavages of the aglycon moiety were observed in MS(2) spectra and the characteristic ions provided valuable information on the basic structural skeletons. Their fragmentation pathways and fragment ion structures were proposed.
Conclusions:
The established fragmentation patterns have been successfully used to identify eleven SIGs in the extract of Gentiana triflora Pall.
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