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

doi:10.1016/j.chroma.2017.03.071

	Strategy for comparative untargeted metabolomics reveals honey markers of different floral and geographic origins using ultrahigh-performance liquid chromatography-hybrid quadrupole-orbitrap mass spectrometry
	Li, Yi 4,5,6; Jin, Yue 4,5; Yang, Shupeng 4,5,7; Zhang, Wenwen 4; Zhang, Jinzhen 4,5,8; Zhao, Wen 4,5,8; Chen, Lanzhen 4,5; Wen, Yaqin 4; Zhang, Yongxin 1; Lu, Kaizhi 3
刊名	Journal of chromatography. A
	2017-05-26
卷号	1499 页码:78-89
ISSN号	1873-3778
DOI	10.1016/j.chroma.2017.03.071
文献子类	Article
英文摘要	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 1.0ppm 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.
语种	英语
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/266789]
专题	中国科学院上海药物研究所
通讯作者	Zhou, Jinhui; Yang, Shuming
作者单位	1.Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China; 2.Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081, PR China 3.Thermo Fisher Scientific Co., Ltd., Shanghai 201206, PR China; 4.Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; 5.Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China; 6.Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081, PR China; 7.Key Laboratory of Bee Products for Quality and Safety Control, Ministry of Agriculture, Beijing 100093, PR China; 8.Bee Product Quality Supervision and Testing Centre, Ministry of Agriculture, Beijing 100093, PR China;
推荐引用方式 GB/T 7714	Li, Yi,Jin, Yue,Yang, Shupeng,et al. Strategy for comparative untargeted metabolomics reveals honey markers of different floral and geographic origins using ultrahigh-performance liquid chromatography-hybrid quadrupole-orbitrap mass spectrometry[J]. Journal of chromatography. A,2017,1499:78-89.
APA	Li, Yi.,Jin, Yue.,Yang, Shupeng.,Zhang, Wenwen.,Zhang, Jinzhen.,...&Yang, Shuming.(2017).Strategy for comparative untargeted metabolomics reveals honey markers of different floral and geographic origins using ultrahigh-performance liquid chromatography-hybrid quadrupole-orbitrap mass spectrometry.Journal of chromatography. A,1499,78-89.
MLA	Li, Yi,et al."Strategy for comparative untargeted metabolomics reveals honey markers of different floral and geographic origins using ultrahigh-performance liquid chromatography-hybrid quadrupole-orbitrap mass spectrometry".Journal of chromatography. A 1499(2017):78-89.