Identification of key metabolites based on non-targeted metabolomics and chemometrics analyses provides insights into bitterness in Kucha [Camellia kucha (Chang et Wang) Chang]

Qin, Dandan; Wang, Qiushuang; Li, Hongjian; Jiang, Xiaohui; Fang, Kaixing; Wang, Qing; Ли, Бо; Pan, Chendong; Wu, Hualing

doi:10.1016/j.foodres.2020.109789

Cited by 45 publications

(24 citation statements)

References 36 publications

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“…The fragment ion with m/z 144.05 yields one daughter ion at m/z 118.08. To our knowledge, L-tryptophan was reported in Passiflora incarnata [19]; Vigna unguiculata [23]; Camellia kucha [24].…”

Section: Resultsmentioning

confidence: 85%

Research of Dracocephalum palmatum S. and Dracocephalum ruyschiana L. originating from Yakutia and identification of metabolites by tandem mass spectrometry

2022

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Dracocephalum palmatum Stephan and Dracocephalum ruyschiana L. contains a large number of target analytes, which are biologically active compounds. High performance liquid chromatography (HPLC) in combination with a BRUKER DALTONIKS ion trap (tandem mass spectrometry) was used to identify target analytes in extracts of D. palmatum Stephan and D. ruyschiana L., originating from Yakutia. The results of initial studies revealed the presence of 61 compounds, of which 53 were identified for the first time in genus Dracocephalum. These are flavones: Apigenin 8-C-pentoside-6-C-hexoside, Apigenin 7-sulfate; Chrysin 6-C-glucoside, Chrysin glucuronide; flavanols: Kaempferol, Dihydrokaempferol, Astragalin; flavan-3-ol (epi)Catechin, phenolic acids: Methylgallic acid; Hydroxy methoxy dimethylbenzoic acid; Ellagic acid; Caffeoylshikimic acid; Prolithospermic acid; 3,4-O-dicaffeoylquinic acid; salvianolic acid G; stilbenes pinosylvin and resveratrol; anthocyanins Petunidin, Pelargonidin-3-O-glucoside; Peonidin-3-O-glucoside; Cyanidin 3-(acetyl)hexose; perillic acid; lignans: Hinokinin, Dimethyl-secoisolariciresinol, Podophyllotoxin, carotenoids: Apocarotenal, 5,8-epoxy-alpha-carotene; etc.

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Section: Resultsmentioning

confidence: 85%

Research of Dracocephalum palmatum S. and Dracocephalum ruyschiana L. originating from Yakutia and identification of metabolites by tandem mass spectrometry

2022

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“…The structure annotation of the potential differential metabolites was determined by comparing RT, m/z with that from published literature [ 14 , 17 , 27 , 28 , 29 ], such as OSI/SMMS (jointly developed by Dalian Institute of Chemistry and Physics and Dalian Dashuo Information Technology Co., Ltd., Dalian, China), HMDB ( , accessed on 12 February 2021) [ 30 ], PubChem ( , accessed on 20 January 2021) [ 31 ], METLIN ( , accessed on 20 January 2021) [ 32 ], and Tea Metabolism Database (TMDB, , accessed on 20 January 2021) [ 33 ]. The KEGG Pathway Database ( , accessed on 20 January 2021) [ 34 ] was employed for pathway analysis.…”

Section: Methodsmentioning

confidence: 99%

“…The structure annotation of the potential differential metabolites was determined by comparing RT, m/z with that from published literature [14,17,[27][28][29]…”

Section: Data Analysis For Untargeted Metabolomicsmentioning

confidence: 99%

Analysis of Differentiated Chemical Components between Zijuan Purple Tea and Yunkang Green Tea by UHPLC-Orbitrap-MS/MS Combined with Chemometrics

Shen

Ling

et al. 2021

Foods

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Zijuan tea (Camellia sinensis var. assamica cv. Zijuan) is a unique purple tea. Recently, purple tea has drawn much attention for its special flavor and health benefits. However, the characteristic compounds of purple tea compared with green tea have not been reported yet. The present study employed a non-targeted metabolomics approach based on ultra-high performance liquid chromatography (UHPLC)-Orbitrap-tandem mass spectrometry (MS/MS) for comprehensive analysis of characteristic metabolites between Zijuan purple tea (ZJT) and Yunkang green tea (YKT). Partial least squares-discriminant analysis (PLS-DA) indicated that there are significant differences in chemical profiles between ZJT and YKT. A total of 66 major differential metabolites included catechins, proanthocyanins, flavonol and flavone glycosides, phenolic acids, amino acids and alkaloids were identified in ZJT. Among them, anthocyanins are the most characteristic metabolites. Nine glycosides of anthocyanins and six glycosides of proanthocyanins were found to be significantly higher in ZJT than that in YKT. Subsequently, pathway analysis revealed that ZJT might generate anthocyanins and proanthocyanins through the flavonol and flavone glycosides. Furthermore, quantitative analysis showed absolutely higher concentrations of total anthocyanins in ZJT, which correlated with the metabolomics results. This study presented the comprehensive chemical profiling and the characterized metabolites of ZJT. These results also provided chemical evidence for potential health functions of ZJT

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“…LIT and Orbitrap tandem mass spectrometer can be used for multi-residue screening of complex samples and compound confirmation (Kosma et al, 2021). It is also an indispensable tool in fields such as proteomics (Stryinski et al, 2019) and metabolomics (Qin et al, 2020). LIT-Orbitrap has the double confirmation function of MS n and precise molecular weight (Kite, 2020).…”

Section: Combination Of Orbitrap and Other Analyzersmentioning

confidence: 99%

Towards Higher Sensitivity of Mass Spectrometry: A Perspective From the Mass Analyzers

Li¹,

Chu²,

Tan³

et al. 2021

Front. Chem.

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Mass spectrometry (MS) is one of the most widely used analytical techniques in many fields. Recent developments in chemical and biological researches have drawn much attention to the measurement of substances with low abundances in samples. Continuous efforts have been made consequently to further improve the sensitivity of MS. Modifications on the mass analyzers of mass spectrometers offer a direct, universal and practical way to obtain higher sensitivity. This review provides a comprehensive overview of the latest developments in mass analyzers for the improvement of mass spectrometers’ sensitivity, including quadrupole, ion trap, time-of-flight (TOF) and Fourier transform ion cyclotron (FT-ICR), as well as different combinations of these mass analyzers. The advantages and limitations of different mass analyzers and their combinations are compared and discussed. This review provides guidance to the selection of suitable mass spectrometers in chemical and biological analytical applications. It is also beneficial to the development of novel mass spectrometers.

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Identification of key metabolites based on non-targeted metabolomics and chemometrics analyses provides insights into bitterness in Kucha [Camellia kucha (Chang et Wang) Chang]

Cited by 45 publications

References 36 publications

Research of Dracocephalum palmatum S. and Dracocephalum ruyschiana L. originating from Yakutia and identification of metabolites by tandem mass spectrometry

Research of Dracocephalum palmatum S. and Dracocephalum ruyschiana L. originating from Yakutia and identification of metabolites by tandem mass spectrometry

Analysis of Differentiated Chemical Components between Zijuan Purple Tea and Yunkang Green Tea by UHPLC-Orbitrap-MS/MS Combined with Chemometrics

Towards Higher Sensitivity of Mass Spectrometry: A Perspective From the Mass Analyzers

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