A novel dereplication strategy for the identification of two new trace compounds in the extract of Gastrodia elata using UHPLC/Q-TOF-MS/MS

Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
Zhifeng LiShilin Yang

Abstract

An ultra performance liquid chromatography (UHPLC) coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (ESI-Q-TOF-MS/MS) was used in the structural determination of natural compounds in Gastrodia elata. A total of 64 compounds were identified or tentatively characterized. The strategy used for characterization was comparing their retention time and fragmentation behaviors with those of the reference standards, or investigating their accurate mass measurements and characteristic fragmentation patterns followed by low-energy collision dissociation tandem mass spectrometry (CID-MS/MS). Phenolic conjugates mainly underwent consecutive losses of gastrodin residues and combined losses of H2O and CO2 from their citric acid units under negative MS/MS conditions. According to these rules, we have successfully characterized fifteen potential novel compounds. To confirm the reliability of this strategy, two targeted unknown trace parishins were obtained from G. elata by LC/MS-guided isolation. Based on the analysis of data from NMR spectroscopy and other techniques, the two unknown parishins were identified as 2-[4-O-(β-d-glucopyranosyl)benzyl]-3-methyl-citrate (parishin J) and 1,2-di-[4-O-(β-d-glucopyranosyl)...Continue Reading

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Citations

Nov 7, 2015·Evidence-based Complementary and Alternative Medicine : ECAM·Jung-Hee JangChangjong Moon
May 24, 2016·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Fenghuan WeiZhixian Mo
Jul 6, 2016·Journal of Ethnopharmacology·Hong-Dan ZhanTing-Liang Jiang
Jan 12, 2017·The Journal of Antibiotics·Noemi D PaguiganNicholas H Oberlies
Feb 1, 2018·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Chunlan TangBocheng Yu
Apr 21, 2018·Natural Product Research·Zhi-Wei WangXiao Wang
Jun 9, 2019·Natural Products and Bioprospecting·Si-Yue ChenJi-Jun Chen
Apr 20, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yehong LiYin Xiong
Nov 18, 2019·Natural Products and Bioprospecting·Cheng-Bo XuJian-Gong Shi
Feb 23, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Xin WangXiao-Ya Shang
Jun 14, 2017·Evidence-based Complementary and Alternative Medicine : ECAM·Min Jung KimSunmin Park
Sep 5, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yun LiZhi-Min Wang
May 13, 2018·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Xiangsheng ZhaoMeihua Yang
Nov 11, 2019·International Journal of Molecular Sciences·Fiorenza ProvenzanoDaniela Giacomazza

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