Integrating Enhanced Profiling and Chemometrics to Unveil the Potential Markers for Differentiating among the Leaves of Panax ginseng, P. quinquefolius, and P. notoginseng by Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry
Abstract
:1. Introduction
2. Results and Discussion
2.1. Optimization of a UHPLC/IM-QTOF-MS Approach for the Enhanced Profiling and Characterization of Ginsenosides Simultaneously from PGL, PQL, and PNL
2.2. Superiority Demonstration for the HDMSE-PIL/HDDDA Hybrid Scan Approach
2.3. In-Depth Characterization of Ginsenosides from PGL, PQL, and PNL Based on the HDMSE-PIL/HDDDA CID-MS2 Data and UNIFI Intelligent Peak Annotation Workflows
2.4. Holistic Comparison of the Ginsenosides among PQL, PGL, and PNL by the Untargeted Metabolomics Workflows
3. Materials and Methods
3.1. Chemicals and Materials
3.2. Sample Preparation
3.3. UHPLC/IM-QTOF-MS
3.4. Performance Comparison between HDMSE-HDDDA and Three other MS2 Data Acquisition Methods
3.5. Automated Peak Annotation Workflows Facilitated by UNIFITM and an in-House Ginsenoside Library
3.6. Holistic Ginsenoside Comparison among PGL, PQL, and PNL Based on Untargeted Metabolomics
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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Yang, F.; Chen, B.; Jiang, M.; Wang, H.; Hu, Y.; Wang, H.; Xu, X.; Gao, X.; Yang, W. Integrating Enhanced Profiling and Chemometrics to Unveil the Potential Markers for Differentiating among the Leaves of Panax ginseng, P. quinquefolius, and P. notoginseng by Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry. Molecules 2022, 27, 5549. https://doi.org/10.3390/molecules27175549
Yang F, Chen B, Jiang M, Wang H, Hu Y, Wang H, Xu X, Gao X, Yang W. Integrating Enhanced Profiling and Chemometrics to Unveil the Potential Markers for Differentiating among the Leaves of Panax ginseng, P. quinquefolius, and P. notoginseng by Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry. Molecules. 2022; 27(17):5549. https://doi.org/10.3390/molecules27175549
Chicago/Turabian StyleYang, Feifei, Boxue Chen, Meiting Jiang, Huimin Wang, Ying Hu, Hongda Wang, Xiaoyan Xu, Xiumei Gao, and Wenzhi Yang. 2022. "Integrating Enhanced Profiling and Chemometrics to Unveil the Potential Markers for Differentiating among the Leaves of Panax ginseng, P. quinquefolius, and P. notoginseng by Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry" Molecules 27, no. 17: 5549. https://doi.org/10.3390/molecules27175549