Direct screening of malonylginsenosides from nine Ginseng extracts by an untargeted profiling strategy incorporating in-source collision-induced dissociation, mass tag, and neutral loss scan on a hybrid linear ion-trap/Orbitrap mass spectrometer coupled to ultra-high performance liquid chromatography

Journal of Chromatography. a
Xiaojian ShiDean Guo

Abstract

Specific analytical approaches that enable untargeted profiling of modified metabolites are in great need. An untargeted profiling strategy, by integrating in-source collision-induced dissociation (ISCID)-MS1, mass tag-MS2, and neutral loss scan-MS3, is established on a linear ion-trap/Orbitrap mass spectrometer coupled to ultra-high performance liquid chromatography. This strategy is applied to screen malonylginsenosides from three reputable Panax species (P. ginseng, P. quinquefolius, and P. notoginseng). In light of the preferred neutral elimination of CO2 and entire malonyl substituent (C3H2O3) in the negative electrospray ionization mode, a pseudo-neutral loss scan (PNL) method was established by applying ISCID energy 40 V in MS1, mass tag 43.9898 Da oriented CID-MS2 at normalized collision energy (NCE) 30%, and neutral loss 43.9898 Da-triggered high-energy C-trap dissociation-MS3 at NCE 70%. The PNL approach achieved a high coverage of targeted malonylginsenosides but introduced less false positives. It displayed comparable performance to a precursor ions list-driven targeted approach we have reported in the profiling and characterization of malonylginsenosides, but could avoid complex data processing. Totally 178 malonyl...Continue Reading

Citations

Mar 14, 2020·Critical Reviews in Analytical Chemistry·Jiaqi YueYuanzhong Wang
Aug 6, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Xiangmin PiaoYingping Wang
Jan 14, 2021·Journal of Ginseng Research·Yuangui YangZhengtao Wang
Feb 7, 2021·Fitoterapia·Zheng-Yi QuYing-Ping Wang
Apr 13, 2021·Journal of Ginseng Research·Mikhail AbashevAndrey Stavrianidi

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