Rapid identification of chemical constituents in Yinqiao powder using ultra‐high‐performance liquid chromatography coupled to quadrupole‐time‐of‐flight tandem mass spectrometry using data filtering strategy

Gu, Yongzhe; Le-le, Wei; Liu, Yue; Luo, Yun; Tan, Ting

doi:10.1002/bmc.5392

Cited by 3 publications

(3 citation statements)

References 25 publications

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“…In addition to the caffeoyl moiety, the diagnostic ion at m / z 153.05 indicated a C6–C2 hydroxytyrosol moiety ( Table S1 ) in the components of the MN5 cluster. 30 Compound AD26, for example, displayed an obvious peak at m / z 609.1762([M–H] − ) of C 28 H 34 O 15 , producing [M–H–C 6 H 10 O 5 ] − at m / z 447.1432 by neutral loss of a glucose. The diagnostic ions at m / z 179, 161, 135, and 153 indicate that two substituents including caffeoyl and hydroxytyrosol are linked with a glucose.…”

Section: Resultsmentioning

confidence: 99%

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UHPLC Q-Orbitrap Mass Spectrometry-Based Molecular Networking for Identification of Chemical Constituents in the Multi-Herb Formula Runyan Mixture

Zhang

et al. 2023

ACS Omega

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Traditional Chinese medicine (TCM) in-hospital preparations are approved for use only in the hospital where they are prepared. They are widely used in China because of their efficacy and affordable price. However, few researchers focused on their quality controls and treatment mechanisms, for which a key consideration is the elucidation of their chemical composition. Runyan mixture (RY) is a typical in-hospital TCM preparation comprising a formula of eight herbal drugs used for adjuvant therapy of upper respiratory tract infections. The chemical constituents of formulated RY have not yet been elucidated. In the present work, RY was analyzed by a ultrahigh-performance liquid chromatography system equipped with high-resolution orbitrap mass spectrometry (MS). The acquired MS data were processed by MZmine and a feature-based molecular networking was constructed to identify the metabolites of RY. 165 compounds including 41 flavonoid O-glycosides, 11 flavonoid C-glycosides, 18 quinic acids, 54 coumaric acids, 11 iridoids, and 30 others were identified. This study demonstrates an efficient method to identify compounds in complex herbal drug mixtures using high-resolution MS and molecular networking tools which will support future research into quality controls and treatment mechanisms of in-hospital TCM preparations.

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Section: Resultsmentioning

confidence: 99%

“…In addition to the caffeoyl moiety, the diagnostic ion at m/z 153.05 indicated a C6−C2 hydroxytyrosol moiety (Table S1) in the components of the MN5 cluster. 30 2.5. Other Compounds.…”

Section: Total Ion Chromatograms and Ry Molecularmentioning

confidence: 99%

UHPLC Q-Orbitrap Mass Spectrometry-Based Molecular Networking for Identification of Chemical Constituents in the Multi-Herb Formula Runyan Mixture

Zhang

et al. 2023

ACS Omega

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“…Major advances have been made in ultrahigh-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS), an effective and reliable analytical technique featuring excellent sensitivity, high resolution and accurate mass measurements. It has been widely applied to the deep profiling of TCMs, such as Filifolium sibiricum (Ma et al, 2023) and Ziziphi Spinosae Semen (Shang et al, 2020), the TCM formula of Yinqiao powder (Gu et al, 2022), Xiao Chai Hu Tang (Du et al, 2019), Huashi Baidu prescription (Wei et al, 2021) and Jie Geng Tang (Liu et al, 2021), as well as the hospital preparation of Yi-Yi mixture (Gong et al, 2022).…”

Section: Introductionmentioning

confidence: 99%

An UHPLC–QTOF–MS‐based strategy for systematic profiling of chemical constituents and associated in vivo metabolites of a famous traditional Chinese medicine formula, Yinchenhao decoction

Wang,

Ouyang,

Cao

et al. 2023

Biomedical Chromatography

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Yinchenhao decoction (YCHD), a famous traditional Chinese medicine formula, has been applied for relieving jaundice in China for more than 1800 years. However, the material basis for YCHD is still unclear, and the chemical composition and metabolism characteristic in vivo are undefined, making the potential effective constituents and mechanism of action unclear. Herein, an ultrahigh‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry (UHPLC–QTOF–MS)‐based strategy was applied for the chemical profiling of YCHD, as well as their in vivo prototypes and global metabolites that defined the metabolome. Our results showed that a total of 139 chemicals were identified in YCHD, including 28 organic acids, 12 monoterpenoids, five diterpenes, three triterpenoids, 17 iridoids, 23 anthraquinones, 26 flavonoids, four coumarins and 21 other types. Moreover, 58 prototypes and 175 metabolites were found in rat biological samples after oral administration of YCHD; those distributed in plasma, liver, intestine and feces were suggested to be potentially effective substances. Oxidation, hydrogenation, decarboxylation and conjugations with methyl, sulfate and glucuronate were considered as the predominant metabolic pathways in vivo. In conclusion, this is a systemic study of chemical constituents and in vivo metabolome profiles of YCHD, contributing to the material basis understanding and further mechanism research.

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Characterization of the Chemical Constituents in Radix gentianae by Ultra-High Performance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry

Pan,

Guan,

Cui

et al. 2023

Journal of Chromatographic Science

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Radix gentianae (RG) is a traditional Chinese medicine used for the treatment of acute and chronic hepatitis in clinic. However, the chemical profile of RG is still unconfirmed, which hindered the progress of pharmacological study and clinical application. In this study, ultra-high performance liquid chromatography together with quadrupole time-of-flight mass spectrometry techniques were employed to separate and characterize the chemical constituents in RG. Under the optimized conditions, a total of 60 compounds were rapidly identified or tentatively characterized. Results indicated that iridoid glucosides, flavonoids, organic acids, amino acids, saccharides and nucleosides were major constituents in RG. It is concluded the established method can help to clarify the substance basis and provide useful information for ascertaining the bioactive constituents and action mechanism of RG.

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Rapid identification of chemical constituents in Yinqiao powder using ultra‐high‐performance liquid chromatography coupled to quadrupole‐time‐of‐flight tandem mass spectrometry using data filtering strategy

Cited by 3 publications

References 25 publications

UHPLC Q-Orbitrap Mass Spectrometry-Based Molecular Networking for Identification of Chemical Constituents in the Multi-Herb Formula Runyan Mixture

UHPLC Q-Orbitrap Mass Spectrometry-Based Molecular Networking for Identification of Chemical Constituents in the Multi-Herb Formula Runyan Mixture

An UHPLC–QTOF–MS‐based strategy for systematic profiling of chemical constituents and associated in vivo metabolites of a famous traditional Chinese medicine formula, Yinchenhao decoction

Characterization of the Chemical Constituents in Radix gentianae by Ultra-High Performance Liquid Chromatography Coupled with Quadrupole Time-of-Flight Mass Spectrometry

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