Configuration of the ion exchange chromatography, hydrophilic interaction chromatography, and reversed-phase chromatography as off-line three-dimensional chromatography coupled with high-resolution quadrupole-Orbitrap mass spectrometry for the multicomponent characterization of Uncaria sessilifructus

Feng, Kang; Wang, Simiao; Han, Lifeng; Yue, Qian; Li, Huifang; Li, Xue; Li, Jia; Hu, Ying; Wang, Huimin; Liu, Meiyu; Hu, Wandi; Guo, De‐An; Yang, Wenzhi

doi:10.1016/j.chroma.2021.462237

Cited by 36 publications

(21 citation statements)

References 43 publications

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“…MS, by combining the negative and positive ionization modes or using different ionization patterns, can give good response to most of the natural components with ultra-high sensitivity. Moreover, the ability of MS n acquisition, by the alternate fragmentation mechanisms and flexible scan approaches, provides more options to facilitate the fit-for-purpose profiling and characterization of multiple components with significantly greater coverage on the components of interest [10]. Another milestone progress in herbal components analysis in recent years is the introduction of ion mobility mass spectrometry (IM-MS).…”

Section: Introductionmentioning

confidence: 99%

Dimension-Enhanced Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry Combined with Intelligent Peak Annotation for the Rapid Characterization of the Multiple Components from Seeds of Descurainia sophia

Wang¹,

Li²,

Chen³

et al. 2022

Phyton

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The complex composition of herbal metabolites necessitates the development of powerful analytical techniques aimed to identify the bioactive components. The seeds of Descurainia sophia (SDS) are utilized in China as a cough and asthma relieving agent. Herein, a dimension-enhanced integral approach, by combining ultra-high performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) and intelligent peak annotation, was developed to rapidly characterize the multicomponents from SDS. Good chromatographic separation was achieved within 38 min on a UPLC CSH C18 (2.1 × 100 mm, 1.7 μm) column which was eluted by 0.1% formic acid in water (water phase) and acetonitrile (organic phase). Collision-induced dissociation-MS 2 data were acquired by the data-independent high-definition MS E (HDMS E ) in both the negative and positive electrospray ionization modes. A major components knockout strategy was applied to improve the characterization of those minor ingredients by enhancing the injection volume. Moreover, a self-built chemistry library was established, which could be matched by the UNIFI software enabling automatic peak annotation of the obtained HDMS E data. As a result of applying the intelligent peak annotation workflows and further confirmation process, a total of 53 compounds were identified or tentatively characterized from the SDS, including 29 flavonoids, one uridine derivative, four glucosides, one lignin, one phenolic compound, and 17 others. Notably, four-dimensional information related to the structure (e.g., retention time, collision cross section, MS 1 and MS 2 data) was obtained for each component by the developed integral approach, and the results would greatly benefit the quality control of SDS. KEYWORDSDescurainia sophia; multicomponent characterization; ultra-high performance liquid chromatography; ion mobility/quadrupole time-of-flight mass spectrometry; high-definition MS E ; flavonoid

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Section: Introductionmentioning

confidence: 99%

Dimension-Enhanced Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry Combined with Intelligent Peak Annotation for the Rapid Characterization of the Multiple Components from Seeds of Descurainia sophia

Wang¹,

Li²,

Chen³

et al. 2022

Phyton

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“…Over the last few decades, significant achievements have been made toward the chemical analysis of natural products. A common analytical method used to profile the components of natural products is HPLC coupled with high-resolution mass spectrometry (HRMS) employing different separation modes, including RPLC [1], HILIC [2], SEC [3], IEC [4], SFC [5], ion-pair chromatography (IPC) [6], and mixed-mode liquid chromatography (MMLC) [7]. These methods provide not only different selectivity, but also abundant structural information.…”

Section: Introductionmentioning

confidence: 99%

Comprehensive profiling of Sanguisorba officinalis using offline two‐dimensional mixed‐mode liquid chromatography × reversed‐phase liquid chromatography, tandem high‐resolution mass spectrometry, and molecular network

Dai

Zhang

Xiong

et al. 2022

J of Separation Science

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The profiling of natural products is important in modern biological sciences and new drug development. However, the separation and characterization of complex herbal extracts are significantly challenging for researchers in the biochemical field. Herein, an offline two-dimensional mixed-mode liquid chromatography × reversed-phase liquid chromatography system is developed. Our system exhibits high orthogonality and is composed of a newly prepared stationary phase in the first dimension and a traditional C 18 phase in the second dimension, and is operated in combination with a high-resolution mass spectrometry and molecular network. Sanguisorba officinalis L. is studied using the proposed method owing to its bioactivity. With the aid of orthogonal separation, the ionization of the individual components is improved. The number of detected compounds and separated peaks are significantly increased when one-dimensional liquid chromatography is upgraded to two-dimensional liquid chromatography.In addition, 270 compounds (127 of which are tentatively characterized as new compounds, and further confirmation is needed) are successfully characterized based on their fragmentation patterns under the guidance of molecular network, while only 95 compounds are characterized using one-dimensional liquid chromatography and high-resolution mass spectrometry. The results indicate that the developed offline two-dimensional mixed-mode liquid chromatography ×

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“…Different from the chemical drug or western medicine, Traditional Chinese Medicine (TCM) is known as a complex chemical system, which is featured by the presence of the primary and secondary metabolites showing wide spans of molecular weight, acid-base property, polarity, and the contents, etc. [1][2][3][4][5]. As the major characteristics, a TCM species can have more than one legal source (referring to the multi-source property), or different plants of a genus or even different parts of a same plant are utilized as different TCMs, which undoubtedly result in great challenge to achieve the precise authentication and quality control.…”

Section: Introductionmentioning

confidence: 99%

Headspace Solid-Phase Micro-Extraction Gas Chromatography/Mass Spectrometry (HS-SPME-GC/MS)-Based Untargeted Metabolomics Analysis for Comparing the Volatile Components from 12 Panax Herbal Medicines

Wang¹,

Li²,

Jiang³

et al. 2022

Phyton

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Quality control of ginseng currently is mainly based on ginsenoside analysis, but rarely focuses on the volatile organic components. In the current work, an untargeted metabolomics approach, by headspace solid-phase micro-extraction gas chromatography/mass spectrometry (HS-SPME-GC/MS), was elaborated and further employed to holistically compare the compositional difference of the volatile components simultaneously from 12 Panax herbal medicines, which included P. ginseng (PG), P. quinquefolius (PQ), P. notoginseng (PN), red ginseng (PGR), P. ginseng leaf (PGL), P. quinquefolius leaf (PQL), P. notoginseng leaf (PNL), P. ginseng flower (PGF), P. quinquefolius flower (PQF), P. notoginseng flower (PNF), P. japonicus (PJ), and P. japonicus var. major (PJvm). Chromatographic separation was performed on an HP-5MS elastic quartz capillary column using helium as the carrier gas, enabling good resolution within 1 h. We were able to characterize totally 259 volatile compounds, including 82 terpenes (T), 46 alcohols (Alc), 29 ketones (K), 25 aldehydes (Ald), 21 esters (E), and the others. By analyzing 90 batches of ginseng samples based on the untargeted metabolomics workflows, 236 differential ions were unveiled, and accordingly 36 differential volatile components were discovered. It is the first report that simultaneously compares the compositional difference of volatile components among 12 Panax herbal medicines, and useful information is provided for the quality control of ginseng aside from the well-known ginsenosides.

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Cited by 36 publications

References 43 publications

Dimension-Enhanced Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry Combined with Intelligent Peak Annotation for the Rapid Characterization of the Multiple Components from Seeds of Descurainia sophia

Dimension-Enhanced Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry Combined with Intelligent Peak Annotation for the Rapid Characterization of the Multiple Components from Seeds of Descurainia sophia

Comprehensive profiling of Sanguisorba officinalis using offline two‐dimensional mixed‐mode liquid chromatography × reversed‐phase liquid chromatography, tandem high‐resolution mass spectrometry, and molecular network

Headspace Solid-Phase Micro-Extraction Gas Chromatography/Mass Spectrometry (HS-SPME-GC/MS)-Based Untargeted Metabolomics Analysis for Comparing the Volatile Components from 12 Panax Herbal Medicines

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