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Comprehensive profiling of phytochemicals in the fruits of Gardenia jasminoides Ellis and its variety using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry

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Abstract

The fruits of Gardenia jasminoides Ellis are an important herb medicine in Traditional Chinese Medicine (TCM) and have been used for thousands of years for clearing away heat and toxic materials. It mainly contains iridoids, pigments, organic acids, and flavonoids. Although belonging to one species, it has two kinds of cultivars and one variety widely distributed and sold. This study aims to develop an integrated and efficient analytical strategy for comprehensive profiling of phytochemicals and clarify the differences in all three populations. Based on reversed-phase ultra-high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UHPLC/ESI-QTOFMS), an optimized analytical approach for comprehensive profiling of phytochemicals in the fruits of G. jasminoides was established in negative ionization mode. The holistic metabolites profiling was carried out on UHPLC/ESI-QTOFMS and data analysis program Progenesis QI, and a total of 80 metabolites were obtained and interpreted by chromatographic and tandem mass spectral data. The interpretation of metabolites comprises iridoids, pigments, organic acids, and flavonoids. Principal component analysis and partial least square-discriminant analysis were performed, and 19 main different components could be obtained to distinguish the three populations. Combined with non-targeted and targeted data analysis, the integrated strategy developed in this study was feasibly applied to discern differences in the profiles of the phytochemicals accumulating in the fruits of three populations of G. jasminoides.

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Acknowledgements

This work was financially supported by Scientific and Technological innovation project of China Academy of Chinese Medical Sciences, grant number CI2021A04807 and CI2021A4407.

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XY, X-QL, DZ and W-HF did the LC–MS/MS experiments and MS data analysis, as well as statistical analysis of MS data. Y-HL and CL collected the plant material. XY and CL prepared the manuscript together. CL and Z-MW planned, designed and organized the whole research of this study. All the authors have read and approved the final submitted manuscript.

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Correspondence to Chun Li or Zhi-Min Wang.

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Ye, X., Liu, XQ., Zhang, D. et al. Comprehensive profiling of phytochemicals in the fruits of Gardenia jasminoides Ellis and its variety using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry. J Nat Med 76, 774–795 (2022). https://doi.org/10.1007/s11418-022-01627-0

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