An off-line three-dimensional liquid chromatography/Q-Orbitrap mass spectrometry approach enabling the discovery of 1561 potentially unknown ginsenosides from the flower buds of Panax ginseng, Panax quinquefolius and Panax notoginseng

Li, Jia; Wang, Hongda; Xu, Xiaoyan; Wang, Huimin; Li, Xue; Hu, Ying; Chen, Boxue; Liu, Meiyu; Gao, Xiumei; Li, Huifang; Guo, De‐An; Yang, Wenzhi

doi:10.1016/j.chroma.2022.463177

Cited by 20 publications

(25 citation statements)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Malonylginsenosides are a class of acidic saponins containing free carboxyl, which are widely distributed in various Panax species, in particular in the flower parts [ 15 , 48 ]. In this work, we could characterize 42 malonyl ginsenosides (12.28% of the total), and five thereof were identified by comparison with the reference compounds ( 79 #/ 159 #/ 200 #/ 246 #/ 254 #).…”

Section: Resultsmentioning

confidence: 99%

“…In this work, we could characterize 42 malonyl ginsenosides (12.28% of the total), and five thereof were identified by comparison with the reference compounds ( 79 #/ 159 #/ 200 #/ 246 #/ 254 #). Compared with the neutral ginsenosides, malonylginsenosides could be easily discerned based on their rich deprotonated precursors together with the in-source CO 2 -eliminated fragments by full scan [ 13 , 48 ]. Moreover, the negative CID-MS 2 fragmentation features of malonylginsenosides involved the neutral elimination of CO 2 (43.9898 Da) and a whole malonyl group (86.0004 Da) (C 3 H 2 O 3 ) or plus a molecule of H 2 O (104.0110 Da) or even the dimalonyl groups (172.0008 Da) (2 × C 3 H 2 O 3 ) or plus a molecule of H 2 O (190.0114 Da), in addition to the common NL of sugars and the generation of sapogenin anions typically observed at m/z 459.3838 and 475.3787 [ 47 ].…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

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

et al. 2022

Self Cite

View full text Add to dashboard Cite

The leaves of Panax species (e.g., Panax ginseng-PGL, P. quinquefolius-PQL, and P. notoginseng-PNL) can serve as a source for healthcare products. Comprehensive characterization and unveiling of the metabolomic difference among PGL, PQL, and PNL are critical to ensure their correct use. For this purpose, enhanced profiling and chemometrics were integrated to probe into the ginsenoside markers for PGL/PQL/PNL by ultra-high performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS). A hybrid scan approach (HDMSE-HDDDA) was established achieving the dimension-enhanced metabolic profiling, with 342 saponins identified or tentatively characterized from PGL/PQL/PNL. Multivariate statistical analysis (33 batches of leaf samples) could unveil 42 marker saponins, and the characteristic ginsenosides diagnostic for differentiating among PGL/PQL/PNL were primarily established. Compared with the single DDA or DIA, the HDMSE-HDDDA hybrid scan approach could balance between the metabolome coverage and spectral reliability, leading to high-definition MS spectra and the additional collision-cross section (CCS) useful to differentiate isomers.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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

et al. 2022

Self Cite

View full text Add to dashboard Cite

show abstract

Section: Resultsmentioning

confidence: 99%

“…Our research group has established several LC/MS strategies facilitating the comprehensive characterization of ginsenosides from different ginseng products (e.g., PG/RG, PG/PQ/PN, ,, the roots/leaves/flower buds of PG/PQ/PN, ,,,,,− and PJ) and the preparation . In term of the MS scan methods, conventional DIA (MS E ), conventional DDA, ,, PIL-containing DDA, ,, mass tag-triggered DDA, , IM-enabled DIA (HDMS E ), ,, and hybrid DIA/DDA with IM enabled , were utilized. Given that the MS 2 data obtained by DDA are easy to be interpreted with high spectral reliability, the current work essentially employed a PIL-containing DDA approach aimed to enhance the coverage on ginsenosides, which was similar to the methods we had used to identify the ginsenosides from the three parts (roots/leaves/flower buds) of PQ and the flower buds of PG and PG/PQ/PN .…”

Section: Resultsmentioning

confidence: 99%

“…It is crucial to establish precise and fit-for-purpose analytical techniques that can implement the characterization and quantification of metabolites for a number of research areas (e.g., natural product research and food science). , At the same time, it is still confronted with challenges for the detection and analysis of the metabolites owing to the severe endogenous interference and, in most cases, the low content in a complex matrix. In recent years, liquid chromatography/mass spectrometry (LC/MS) has provided a powerful and practical method enabling the systematic characterization of known compounds, as well as the discovery of potentially new components from natural products. − Nowadays, the utilization of multidimensional chromatography (MDC) greatly improves the selectivity and expands the peak capacity, , while various MS strategies are available to maximize the qualitative MS information supporting the identification of metabolites. , The utilization of various scan methods has been demonstrated as potent in the in-depth characterization and multicomponent quantitation of various metabolites from herbal extracts. , …”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Enhanced Identification of Ginsenosides Simultaneously from Seven Panax Herbal Extracts by Data-Dependent Acquisition Including a Preferred Precursor Ions List Derived from an In-House Programmed Virtual Library

Liu

Wang

et al. 2022

J. Agric. Food Chem.

Self Cite

View full text Add to dashboard Cite

Data-dependent acquisition (DDA) is widely utilized for metabolite identification in natural product research and food science, which, however, can suffer from low coverage. A potential solution to improve DDA coverage is to include the precursor ions list (PIL). Here, we aimed to construct a PIL-containing DDA strategy based on an in-house library of ginsenosides (VLG) and identify ginsenosides simultaneously from seven Panax herbal extracts. VLG, combined with mass defect filtering, could efficiently screen the ginsenoside precursors and elaborate the separate PIL involved in DDA for each ginseng extract. Consequently, we could characterize 500 ginsenosides, including 176 ones with unknown masses. Using the Panax ginseng extract, the superiority of this strategy was embodied in targeting more known ginsenoside masses and newly acquiring the MS 2 spectra of 13 components. Conclusively, knowledge-based large-scale molecular prediction and PIL-DDA can represent a powerful targeted/untargeted strategy beneficial to novel natural compound discovery.

show abstract

Comparison of two methods for ginsenosides quantitation

Moldoveanu

Gan

2023

J of Separation Science

View full text Add to dashboard Cite

The present study provides a comparison of two liquid chromatography–tandem mass spectrometry methods for ginsenosides analysis. The two methods have the same liquid chromatography separation procedure, and both use tandem mass spectrometry detection. However, one method uses multiple reaction monitoring transitions commonly recommended in the literature starting with [M + Na]+ as the molecular ions and with detection of specific fragment ions from the molecules M, while the other is an original method using [M + Cs]+ as molecular ions and Cs+ as fragment ion. The method using [M + Cs]+ as molecular ion has a very high sensitivity allowing the measurement of concentrations in the injecting solutions as low as 4 ng/ml with peaks at this concentration showing signal to noise ratio of 20 or higher. The procedures were utilized for the measurement of eight ginsenosides (Rb1, Rb2, Rc, Rd, Re, Rf (S), Rg1, and Rg2), although the method using [M + Cs]+ has the potential for measuring other ginsenosides. As an application, the ginsenosides were measured in several types of ginseng root, several dietary supplements containing ginseng extracts, four energy drinks, and a sample of ashwagandha.

show abstract

An off-line three-dimensional liquid chromatography/Q-Orbitrap mass spectrometry approach enabling the discovery of 1561 potentially unknown ginsenosides from the flower buds of Panax ginseng, Panax quinquefolius and Panax notoginseng

Cited by 20 publications

References 46 publications

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

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

Enhanced Identification of Ginsenosides Simultaneously from Seven Panax Herbal Extracts by Data-Dependent Acquisition Including a Preferred Precursor Ions List Derived from an In-House Programmed Virtual Library

Comparison of two methods for ginsenosides quantitation

Contact Info

Product

Resources

About