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建立高分辨串联质谱库对食品样本中的兽药进行靶向分析。

Targeted Analysis of Veterinary Drugs in Food Samples by Developing a High-Resolution Tandem Mass Spectral Library.

机构信息

H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.

Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.

出版信息

J Agric Food Chem. 2023 Aug 30;71(34):12839-12848. doi: 10.1021/acs.jafc.3c03715. Epub 2023 Aug 2.

DOI:10.1021/acs.jafc.3c03715
PMID:37528805
Abstract

Veterinary drug residues present in foods can pose severe health threats to the population. The present study aims to develop a high-resolution mass spectral library of 158 veterinary drugs of 16 different classes for their rapid identification in food samples through liquid chromatography-high-resolution electrospray ionization-tandem mass spectrometry (LC-HR-ESI-MS/MS). Standard drugs were pooled according to their log values and exact masses before analysis. Spectra were collected at system automated collision energy, i.e., of 25-60 eV and four predetermined collision energies (10, 20, 30, and 40 eV) for each compound using a schedule precursor list of [M + H], [M + Na], and [M + NH] ions. The utility of the developed database was checked by analyzing food samples. A total of 17 veterinary drugs based on the reference standard retention times (RTs), HR-MS spectra, and MS/MS spectra were identified in the analyzed samples. Moreover, five veterinary drugs were selected for quantitative analysis, including doxycycline hyclate, lincomycin, sulfasalazine, moxifloxacin, and diphenoxylate, using liquid chromatography-ion trap mass-spectrometry (LC-IT-MS). Concentrations of the drug were obtained to vary from 0.0805 to 0.9731 mg/kg in food samples and were found to be exceeded in most of the cases as per the maximum residue levels described by Food and Agriculture Organization (FAO)/World Health Organization (WHO). The MS data were submitted to the MetaboLights online database (MTBLS2914). This study will help in the high-throughput screening of multiclass veterinary drugs in foodstuffs.

摘要

食品中的兽药残留会对人群健康造成严重威胁。本研究旨在建立一个包含 16 个不同类别 158 种兽药的高分辨质谱谱库,通过液相色谱-高分辨电喷雾电离串联质谱(LC-HR-ESI-MS/MS)快速鉴定食品样品中的兽药。在分析前,根据其 log 值和精确质量对标准药物进行混合。使用 [M + H]、[M + Na] 和 [M + NH] 离子的预设前体列表,在系统自动碰撞能量(即 25-60eV)和四个预定碰撞能量(10、20、30 和 40eV)下收集每个化合物的光谱。通过分析食品样品检查了开发的数据库的实用性。在分析样品中,根据参考标准保留时间(RTs)、高分辨质谱(HR-MS)光谱和 MS/MS 光谱共鉴定出 17 种兽药。此外,选择 5 种兽药进行定量分析,包括盐酸多西环素、林可霉素、柳氮磺胺吡啶、莫西沙星和地芬诺酯,使用液相色谱-离子阱质谱(LC-IT-MS)。在食品样品中,药物浓度从 0.0805 到 0.9731mg/kg 不等,并且根据粮农组织(FAO)/世界卫生组织(WHO)规定的最大残留限量,在大多数情况下都发现超过了最大残留限量。MS 数据已提交给 MetaboLights 在线数据库(MTBLS2914)。本研究将有助于高通量筛选食品中的多类兽药。

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