CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, P. R. China.
University of Chinese Academy of Sciences, Beijing, P. R. China.
Electrophoresis. 2022 Oct;43(18-19):1822-1831. doi: 10.1002/elps.202100296. Epub 2021 Dec 23.
The development of nontargeted screening strategy for veterinary drugs and their metabolites is very important for food safety. In this study, a nontargeted screening strategy was developed to find the potentially hazardous substances based on mass defect filtering (MDF) using liquid chromatography-high-resolution mass spectrometry. First, the drug metabolites of 112 veterinary drugs from seven classes of antimicrobials were predicted. Second, three MDF models were established, including the traditional rectangular MDF, the enhanced parallelogram MDF, and the polygonal MDF. Finally, the strategy was applied to nontargeted screening of veterinary drugs in 36 milk samples. The polygonal MDF model based on the distribution area of parent drugs and their metabolites showed a better filtering effect. After removing food components and performing MDF, about 10% of the substances remained, and four veterinary drugs and six drug metabolites were discovered and identified, showing the effectiveness of this strategy. The nontargeted screening strategy can rapidly remove interfering substances and find the suspected compounds. It can also be used for nontargeted screening of veterinary drugs and their metabolites in other food matrices.
建立非靶向筛查策略以检测兽药及其代谢物对于食品安全非常重要。本研究建立了一种基于质荷比滤波（MDF）的非靶向筛查策略，采用液相色谱-高分辨质谱法寻找潜在危害物质。首先，预测了来自 7 类抗生素的 112 种兽药的代谢物。其次，建立了 3 种 MDF 模型，包括传统的矩形 MDF、增强型平行四边形 MDF 和多边形 MDF。最后，将该策略应用于 36 个牛奶样品中的兽药非靶向筛查。基于母体药物及其代谢物分布区域的多边形 MDF 模型显示出更好的过滤效果。去除食物成分并进行 MDF 后，仍有大约 10%的物质残留，发现并鉴定了 4 种兽药和 6 种兽药代谢物，证明了该策略的有效性。该非靶向筛查策略可以快速去除干扰物质并找到可疑化合物。它还可用于其他食品基质中兽药及其代谢物的非靶向筛查。
