Strategy for comparative untargeted metabolomics reveals honey markers of different floral and geographic origins using ultrahigh-performance liquid chromatography-hybrid quadrupole-orbitrap mass spectrometry

文献类型： 外文期刊

第一作者： Li, Yi

作者： Li, Yi;Jin, Yue;Yang, Shupeng;Zhang, Wenwen;Zhang, Jinzhen;Zhao, Wen;Chen, Lanzhen;Wen, Yaqin;Zhou, Jinhui;Li, Yi;Jin, Yue;Yang, Shupeng;Zhang, Jinzhen;Zhao, Wen;Chen, Lanzhen;Zhou, Jinhui;Yang, Shuming;Yang, Shupeng;Zhou, Jinhui;Zhang, Jinzhen;Zhao, Wen;Zhou, Jinhui;Zhang, Yongxin;Lu, Kaizhi;Zhang, Yaping

作者机构：

关键词： Comparative untargeted metabolomics;Honey;Markers;Floral origin;Geographic origin

期刊名称：JOURNAL OF CHROMATOGRAPHY A （ 影响因子：4.759； 五年影响因子：4.302 ）

ISSN：

年卷期：

页码：

收录情况： SCI

摘要： Honey discrimination based on floral and geographic origins is limited by the ability to determine reliable markers because developing hypothetical substances in advance considerably limits the throughput of metabolomics studies. Here, we present a novel approach to screen and elucidate honey markers based on comparative untargeted metabolomics using ultrahigh-performance liquid chromatography hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q-Orbitrap). To reduce metabolite information losses during sample preparation, the honey samples were dissolved in water and centrifuged to remove insoluble particles prior to UHPLC-Q-Orbitrap analysis in positive and negative electrospray ionization modes. The data were pretreated using background subtraction, chromatographic peak extraction, normalization, transformation and scaling to remove interferences from unwanted biases and variance in the experimental data. The pretreated data were further processed using principal component analysis (PCA) and a three-stage approach (t-test, volcano plot and variable importance in projection (VIP) plot) to ensure marker authenticity. A correlation between the molecular and fragment ions with a mass accuracy of less than 1.0 ppm was used to annotate and elucidate the marker structures, and the marker responses in real samples were used to confirm the effectiveness of the honey discrimination. Moreover, we evaluated the data quality using blank and quality control (QC) samples based on PCA clustering, retention times, normalized levels and peak areas. This strategy will help guide standardized, comparative untargeted metabolomics studies of honey and other agro-products from different floral and geographic origins. (C) 2017 Elsevier B.V. All rights reserved.

分类号： O65

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