Profiling and analysis of multiple constituents in Baizhu Shaoyao San before and after processing by stir-frying using UHPLC/Q-TOF-MS/MS coupled with multivariate statistical analysis

Xu, Yangyang; Cai, Hao; Cao, Gang; Duan, Yu; Pei, Ke; Tu, Sicong; Jia, Zhenquan; Xie, Li; Sun, Dongdong; Zhao, Jiayu; Liu, Jing; Wang, Xiaoqi; Shen, Lin

doi:10.1016/j.jchromb.2018.03.003

Cited by 60 publications

(47 citation statements)

References 39 publications

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“…The inferences of each ingredient were carried out with the help of the molecular formulas and fragmentation pathways, followed by additional conrmation with reference to the previous literatures. [8][9][10][11][12][13][14][15][16] Table 1 lists the retention time, formula, molecular weight, calculated m/z, detected m/z, error value and MS/MS data of ingredients. A concrete illustration of the ingredients' characterization was performed as hereunder.…”

Section: Instrument and Analytical Conditionsmentioning

confidence: 99%

Rapid characterization of chemical constituents of Shaoyao Gancao decoction using UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry

Sun

Zhao

et al. 2020

RSC Adv.

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Section: Instrument and Analytical Conditionsmentioning

confidence: 99%

Rapid characterization of chemical constituents of Shaoyao Gancao decoction using UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry

Sun

Zhao

et al. 2020

RSC Adv.

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“…Aside from those listed above, another 9 compounds, namely compounds 2, 20, 60, 66-68, and 80, were considered to be citric acid [70], succinic acid [71], pinoresinol [72], benzyl-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-acetate [72], aloeresin A [73], frangulin B [74], cleomiscosin A [75], bis(methylbenzylidene)sorbitol [75], and umbelliferone [33], respectively. As a typical representative, the MS/MS fragmentation of citric acid was firstly investigated.…”

Section: Othersmentioning

confidence: 99%

Rapid Characterizaiton of Chemical Constituents of the Tubers of Gymnadenia conopsea by UPLC–Orbitrap–MS/MS Analysis

et al. 2020

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Gymnadenia conopsea R. Br. is a traditional Tibetan medicinal plant that grows at altitudes above 3000 m, which is used to treat neurasthenia, asthma, coughs, and chronic hepatitis. However, a comprehensive configuration of the chemical profile of this plant has not been reported because of the complexity of its chemical constituents. In this study, a rapid and precise method based on ultra-high performance liquid chromatography (UPLC) combined with an Orbitrap mass spectrometer (UPLC–Orbitrap–MS/MS) was established in both positive- and negative-ion modes to rapidly identify various chemical components in the tubers of G. conopsea for the first time. Finally, a total of 91 compounds, including 17 succinic acid ester glycosides, 9 stilbenes, 6 phenanthrenes, 19 alkaloids, 11 terpenoids and steroids, 20 phenolic acid derivatives, and 9 others, were identified in the tubers of G. conopsea based on the accurate mass within 3 ppm error. Furthermore, many alkaloids, phenolic acid derivates, and terpenes were reported from G. conopsea for the first time. This rapid method provides an important scientific basis for further study on the cultivation, clinical application, and functional food of G. conopsea.

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“…Ten compounds were unambiguously identified as chlorogenic acid, ferulic acid, nodakenin, bergapten, 3,4‐dicaffeoylquinic acid, 3,5‐dicaffeoylquinic acid, 4,5‐dicaffeoylquinic acid, imperatorin, notopterol and isoimperatorin (peaks 6, 16, 17, 18, 21, 22, 34, 38, 42 and 44, respectively) based on the retention time and mass spectra of these standards. The identification of other compounds was deduced by reference to previously published data, performing accurate m / z value analysis of the TOF‐MS data, and with QTOF‐MS/MS fragment analysis. All detected compounds are shown in Table .…”

Section: Resultsmentioning

confidence: 99%

Rapid discrimination of Notopterygium incisum and Notopterygium franchetii based on characteristic compound profiles detected by UHPLC‐QTOF‐MS/MS coupled with multivariate analysis

Liu

et al. 2020

Phytochemical Analysis

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Introduction The herbs Notopterygium incisum (NI) and N. franchetii (NF) are referred to as “Qianghuo” in the Chinese Pharmacopeia and are popular for treatment of certain conditions, including headaches, rheumatoid arthritis and the common cold. Recently, several adulterations of NI and NF have been found in the Chinese herbal market. Objective The aim of this study was to rapidly identify the unique characteristic compounds of NI and NF, to discriminate Qianghuo from its adulterations. Methodology Twenty‐four batches of NI and NF samples with different origins were collected and extracted with methanol. The extracts were analysed using ultrahigh‐performance liquid chromatography‐quadrupole time‐of‐flight tandem mass spectrometry (UHPLC‐QTOF‐MS/MS). Principal component analysis (PCA) and orthogonal partial squared discriminant analysis (OPLS‐DA) were then used to distinguish between NI and NF and to identify their potential characteristic markers. Results Fifty compounds were identified or tentatively characterised according to the retention time, m/z value and MS/MS fragment analysis. Six compounds were selected as potential markers of NI and NF by PCA and OPLS‐DA. They were successfully applied to authenticate 17 kinds of Chinese patent medicines containing Qianghuo. The markers could not be detected in three of the Chinese patent medicines, indicating that they were counterfeit products. Conclusion The UHPLC‐QTOF‐MS/MS coupled with the multivariate analysis method could discriminate NI and NF from their adulterations. Moreover, the data clearly demonstrated significant differences in the chemical compositions of NI and NF. Further research is needed to examine the relationship between therapeutic efficacy and the chemical constituents of NI and NF.

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Profiling and analysis of multiple constituents in Baizhu Shaoyao San before and after processing by stir-frying using UHPLC/Q-TOF-MS/MS coupled with multivariate statistical analysis

Cited by 60 publications

References 39 publications

Rapid characterization of chemical constituents of Shaoyao Gancao decoction using UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry

Rapid characterization of chemical constituents of Shaoyao Gancao decoction using UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry

Rapid Characterizaiton of Chemical Constituents of the Tubers of Gymnadenia conopsea by UPLC–Orbitrap–MS/MS Analysis

Rapid discrimination of Notopterygium incisum and Notopterygium franchetii based on characteristic compound profiles detected by UHPLC‐QTOF‐MS/MS coupled with multivariate analysis

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