title: Hybrid quadrupole-orbitrap mass spectrometry analysis with accurate-mass database and parallel reaction monitoring for high-throughput screening and quantification of multi-xenobiotics in honey.
abstract: This study reports a rapid, automated screening and quantification method for the determination of multi-xenobiotic residues in honey using ultra-high performance liquid chromatography-hybrid quadrupole-Orbitrap mass spectrometry (UHPLC-Q-Orbitrap) with a user-built accurate-mass database plus parallel reaction monitoring (PRM). The database contains multi-xenobiotic information including formulas, adduct types, theoretical exact mass and retention time, characteristic fragment ions, ion ratios, and mass accuracies. A simple sample preparation method was developed to reduce xenobiotic loss in the honey samples. The screening method was validated based on retention time deviation, mass accuracy via full scan-data-dependent MS/MS (full scan-ddMS2), multi-isotope ratio, characteristic ion ratio, sensitivity, and positive/negative switching performance between the spiked sample and corresponding standard solution. The quantification method based on the PRM mode is a promising new quantitative tool which we validated in terms of selectivity, linearity, recovery (accuracy), repeatability (precision), decision limit (CCα), detection capability (CCβ), matrix effects, and carry-over. The optimized methods proposed in this study enable the automated screening and quantification of 157 compounds in less than 15 min in honey. The results of this study, as they represent a convenient protocol for large-scale screening and quantification, also provide a research approach for analysis of various contaminants in other matrices.
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; Bee Product Quality Supervision and Testing Center, Ministry of Agriculture, Beijing 100093, PR China; Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Li
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; Bee Product Quality Supervision and Testing Center, Ministry of Agriculture, Beijing 100093, PR China; Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China.
authors.forename: Jinzhen
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; Bee Product Quality Supervision and Testing Center, Ministry of Agriculture, Beijing 100093, PR China; Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China.
authors.forename: Yue
authors.initials: Y
authors.lastname: Jin
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; Bee Product Quality Supervision and Testing Center, Ministry of Agriculture, Beijing 100093, PR China; Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China.
authors.forename: Lin
authors.initials: L
authors.lastname: Wang
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; Bee Product Quality Supervision and Testing Center, Ministry of Agriculture, Beijing 100093, PR China; Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China.
authors.forename: Wen
authors.initials: W
authors.lastname: Zhao
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China.
authors.forename: Wenwen
authors.initials: W
authors.lastname: Zhang
authors.affiliation: Thermo Fisher Scientific Co., Ltd., Shanghai 201206, PR China.
authors.forename: Lifei
authors.initials: L
authors.lastname: Zhai
authors.affiliation: Thermo Fisher Scientific Co., Ltd., Shanghai 201206, PR China.
authors.forename: Yaping
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Yongxin
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Institute of Apicultural Research, Chinese Academy of Agricultural Sciences, Beijing 100093, PR China; Bee Product Quality Supervision and Testing Center, Ministry of Agriculture, Beijing 100093, PR China; Laboratory of Risk Assessment for Quality and Safety of Bee Products, Ministry of Agriculture, Beijing 100093, PR China. Electronic address: zhoujinhui@caas.cn.
authors.forename: Jinhui
authors.initials: J
authors.lastname: Zhou
mesh_terms: D002851:Chromatography, High Pressure Liquid; D005504:Food Analysis / Q000295:instrumentation* / Q000379:methods*; D006722:Honey / Q000032:analysis*; D053719:Tandem Mass Spectrometry; D015262:Xenobiotics / Q000032:analysis*
chemical_list: D015262:Xenobiotics
keywords: Accurate-mass database; Honey; Hybrid quadrupole-orbitrap; Multi-xenobiotics; Parallel reaction monitoring