UPLC–Q‐TOF–HDMS Analysis of Constituents in the Root of Two Kinds of <i>Aconitum</i> Using a Metabolomics Approach

Sun, Hui; Wang, Mo; Zhang, Aihua; Ni, Bei; Dong, Honglin; Wang, Xijun

doi:10.1002/pca.2407

Cited by 77 publications

(53 citation statements)

References 32 publications

(29 reference statements)

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“…Besides, Metabolynx TM software can rapidly detect the peaks in an ultra‐performance liquid chromatography (UPLC) Q‐TOF‐MS (Q = quadrupole) data file resulting from in vivo biotransformation, and many studies employ the software to acquire information about the prototype and metabolites . By applying the pattern recognition approaches and with the help of Metabolynx TM , the constituents can be extracted easily with no previous knowledge of the compound structure .…”

Section: Introductionmentioning

confidence: 99%

Rapid identification and comparative analysis of the chemical constituents and metabolites ofPhellodendri amurensiscortex and Zhibai dihuang pill by ultra-performance liquid chromatography with quadrupole TOF-MS

et al. 2013

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Zhibai dihuang pill is a famous traditional Chinese medicine formula containing the herbal medicine Phellodendri amurensis cortex. In this work, an integrative pattern recognition approach including principal component analysis and orthogonal partial least squared discriminant analysis based on ultra-performance liquid chromatography coupled to MS was successfully applied for the rapid discovery of natural compounds from herbal medicines. In a 24 min analysis, 93 compounds were identified or tentatively characterized from Zhibai dihuang pill based on their fragmentation behaviors, 23 of which were from Phellodendri amurensis cortex. A total of 26 metabolites in plasma were identified from Phellodendri amurensis cortex in Zhibai dihuang pill formula, among them, 12 prototypes and 14 metabolites through metabolic pathways of demethylation, methylation, hydrolysis, sulfate conjugation, and glucuronide conjugation, which were seven metabolites more than that of the single drug, suggesting the importance of the compatibility of traditional Chinese medicine. The present study provided important structural information on the metabolism of Zhibai dihuang pill. Furthermore, the results of this work have demonstrated the feasibility of ultra-performance liquid chromatography coupled to MS for the rapid and reliable characterization of metabolites from herbal medicines. Based on these results, this method could be a novel approach for identifying potentially bioactive components in other traditional Chinese medicines.

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Section: Introductionmentioning

confidence: 99%

Rapid identification and comparative analysis of the chemical constituents and metabolites ofPhellodendri amurensiscortex and Zhibai dihuang pill by ultra-performance liquid chromatography with quadrupole TOF-MS

et al. 2013

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“…Compared with precursor ion scan and neutral loss scan techniques, the MDF approach was shown to be more effective for the detection of metabolites in a complex matrix. During the last few years, we have reported a series of methods for the rapid structural identification of compounds in crude extracts from herbal medicines and TCM by MS/MS and LC‐MS (Yin et al ., ; Sun et al ., , , ).…”

Section: Introductionmentioning

confidence: 99%

Profiling and identification of the absorbed constituents and metabolites of schisandra lignans by ultra‐performance liquid chromatography coupled to mass spectrometry

Sun

Zhang

et al. 2013

Biomedical Chromatography

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Schisandra chinensis Baill grows wild in Russia, China, Korea and Japan, and its fruit has been found to be effective in amnesia and insomnia. It is enriched in schisandra lignans (SL) that are major components responsible for therapeutic action. However, there are no reports on the biotransformation analysis of SL. An ultra-performance liquid chromatography/electrospray-ionization high-definition mass spectrometry (UPLC-Q-TOF-HDMS) method was developed to investigate the metabolism of SL in vivo. MS was performed on a Waters Micromass high-definition system with an electrospray ionization source in positive ion mode and automated MetaboLynx software analysis with excellent MS accuracy and enhanced MS data acquisition. An improved mass defect filter (MDF) method employing both drug and core structure filter templates was applied to the processing of UPLC-Q-TOF-HDMS data for the detection and structural characterization of metabolites. In this study, 30 metabolites were detected and identified in vivo, and demethylation and hydroxylation were confirmed as the primacy metabolic pathway for SL in rat plasma. In conclusion, the presently developed methodology was suitable for biotransformation research of SL and will find wide use in metabolic studies for other herbal medicines.

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“…For example, ultraperformance liquid chromatography-quadrupole time-of-flight high-definition mass spectrometry (UPLC-QTOF-HDMS) was used to detect 22 metabolites shared by the mother root of Aconitum carmichaelii (CHW; Ranunculaceae) and lateral root of A. carmichaelii (SFZ) and 13 metabolites shared by the CHW and root of A. kusnezoffii (CW) (Sun et al, 2013). For example, ultraperformance liquid chromatography-quadrupole time-of-flight high-definition mass spectrometry (UPLC-QTOF-HDMS) was used to detect 22 metabolites shared by the mother root of Aconitum carmichaelii (CHW; Ranunculaceae) and lateral root of A. carmichaelii (SFZ) and 13 metabolites shared by the CHW and root of A. kusnezoffii (CW) (Sun et al, 2013).…”

Section: Metabolomicsmentioning

confidence: 99%

Chemotaxonomy

Hao¹,

Gu²,

Xiao³

2015

Medicinal Plants

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UPLC–Q‐TOF–HDMS Analysis of Constituents in the Root of Two Kinds of Aconitum Using a Metabolomics Approach

Abstract: Metabolomics based UPLC-QTOF-HDMS with multivariate statistical models was effective for analysis of constituents in the root of two kinds of Aconitum species.

Cited by 77 publications

References 32 publications

Rapid identification and comparative analysis of the chemical constituents and metabolites ofPhellodendri amurensiscortex and Zhibai dihuang pill by ultra-performance liquid chromatography with quadrupole TOF-MS

Rapid identification and comparative analysis of the chemical constituents and metabolites ofPhellodendri amurensiscortex and Zhibai dihuang pill by ultra-performance liquid chromatography with quadrupole TOF-MS

Profiling and identification of the absorbed constituents and metabolites of schisandra lignans by ultra‐performance liquid chromatography coupled to mass spectrometry

Chemotaxonomy

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