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Precursor Ion-Scan Mode-Based Screening Strategy for New Amorfrutin Derivatives from Amorpha fruticosa by UPLC–QqQ–MS and UPLC–Q-TOF–MS

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Abstract

This study presents a screening strategy for unknown compounds by coupling UPLC–QqQ–MS and UPLC–Q-TOF–MS analyses. Amorfrutins, potential PPARγ agonists in Amorpha fruticosa, were selected as the research target. First, MS/MS analysis of three amorfrutin references (AA, AB, and AC) by Q-TOF revealed the mass-spectrometric fragmentation patterns of amorfrutins, and m/z 225 was recognized as a characteristic and common fragment ion of amorfrutins. Then, unknown amorfrutins were screened in the fruits of A. fruticosa by UPLC–QqQ–MS operating in precursor ion-scan mode, and the product ion was set as m/z 225 for screening potential amorfrutins. According to the high-resolution MS–MS spectral data provided by UPLC–Q-TOF–MS, the molecular formula of potential amorfrutins and their respective characteristic fragments were calculated. Finally, three unknown amorfrutins, namely, amorfrutin D and two new amorfrutins, were identified. As far as we know, this is the first study to rapidly identify unknown compounds by combined application of QqQ–MS precursor ion scan and Q-TOF–MS formula calculation. This research strategy will also be effective for the discovery of other trace natural products and metabolites.

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Funding

This study was funded by the National Natural Science Foundation of China (No. 81503361) and the Collaborative Innovation Center of Sichuan for Elderly Care and Health, Chengdu Medical College (YLZBZ1820).

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Authors and Affiliations

  1. Collaborative Innovation Center of Sichuan for Elderly Care and Health, Chengdu Medical College, Chengdu, 610500, China

    Lei-Lei Du & Jing Xie

  2. College of Ethnomedicine, Chengdu University of Traditional Chinese Medicine, Chengdu, 611137, China

    Lei-Lei Du

  3. Sichuan Provincial Center for Disease Control and Prevention, Chengdu, 610041, China

    Ying Xue

  4. School of Pharmacy, Chengdu Medical College, Chengdu, 610500, China

    Jing Xie

Authors
  1. Lei-Lei Du
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  2. Ying Xue
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  3. Jing Xie
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Correspondence to Jing Xie.

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Lei-Lei Du declares that she has no conflict of interest. Ying Xue declares that she has no conflict of interest. Jing Xie declares that she has no conflict of interest.

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This article does not contain any studies with human participants or animals performed by the author.

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Du, LL., Xue, Y. & Xie, J. Precursor Ion-Scan Mode-Based Screening Strategy for New Amorfrutin Derivatives from Amorpha fruticosa by UPLC–QqQ–MS and UPLC–Q-TOF–MS. Chromatographia 81, 769–776 (2018). https://doi.org/10.1007/s10337-018-3501-9

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  • DOI: https://doi.org/10.1007/s10337-018-3501-9

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