高分辨质谱结合分子网络技术在鱼体恩诺沙星及其转化产物分析中的应用  

Application of high-resolution mass spectrometer combined with molecular networking in the analysis of enrofloxacin and its transformation product in fish

作　　者：朱磊 方龙香 李丹丹[2,3,4,5] 胡庚东 裘丽萍[2,3,4,5] 孟顺龙 宋超[1,2,3,4,5] ZHU Lei;FANG Longxiang;LI Dandan;HU Gengdong;QIU Liping;MENG Shunlong;SONG Chao(Wuxi Fisheries College,Nanjing Agricultural University,Wuxi 214081,China;Freshwater Fisheries Research Center,Chinese Academy of Fishery Sciences,Wuxi 214081,China;Laboratory of Quality&Safety Risk Assessment for Aquatic Products on Environmental Factors(Wuxi),Ministry of Agriculture and Rural Affairs,Wuxi 214081,China;Key Open Laboratory of Inland Fishery Ecological Environment and Resources,Chinese Academy of Fishery Sciences,Wuxi 214081,China;Key Laboratory of Control of Quality and Safety for Aquatic Products,Ministry of Agriculture and Rural Affairs,Beijing 100141,China)

机构地区：[1]南京农业大学无锡渔业学院,江苏无锡214081 [2]中国水产科学研究院淡水渔业研究中心,江苏无锡214081 [3]农业农村部水产品质量安全环境因子风险评估实验室(无锡),江苏无锡214081 [4]中国水产科学研究院内陆渔业生态环境和资源重点开放实验室,江苏无锡214081 [5]农业农村部水产品质量安全控制重点实验室,北京100141

出　　处：《农业环境科学学报》2025年第3期741-749,共9页Journal of Agro-Environment Science

基　　金：中国水产科学研究院中央级公益性科研院所基本科研业务费专项(2023JBFM02);无锡市科技发展资金项目(K20231029)。

摘　　要：为了识别养殖行业中常用抗生素恩诺沙星在复杂生物介质环境中的转化产物,本研究通过结合恩诺沙星的质谱裂解规律以及高分辨率的一级和二级质谱数据,构建分子网络并对其中具有相似结构的分子簇及主要化合物的结构进行确证,从而识别并鉴定了罗非鱼不同组织部位的恩诺沙星转化产物,并进一步探讨了恩诺沙星生物转化的活性位点。结果表明:采用分子网络技术,在罗非鱼不同组织中成功识别出10种可能的恩诺沙星转化产物,其中所有组织中均发现环丙沙星的存在。恩诺沙星的喹诺酮环和哌嗪环是潜在的转化位点,因此罗非鱼的生物转化过程主要是发生在喹诺酮环(4种)与哌嗪环(6种)上的反应。研究表明,高分辨率质谱结合分子网络技术为恩诺沙星转化产物的识别提供了一种有效的方法,能够为抗生素类新污染物在多介质环境中的识别与溯源提供重要支持。This study aimed to identify the transformation products of enrofloxacin,a widely used antibiotic in aquaculture,within complex biological environments.To achieve this,a molecular network was constructed to confirm the structures of molecular clusters and related primary compounds.The analysis integrated mass spectrum fragmentation patterns of enrofloxacin with high-resolution primary and secondary mass spectrometry data.The primary objective was to identify enrofloxacin transformation products across various tilapia tissues and to explore the active sites of enrofloxacin biotransformation.The results identified ten potential transformation products of enrofloxacin in tilapia tissues using molecular network technology,with ciprofloxacin detected across all tissues.The quinolone and piperazine rings of enrofloxacin were pinpointed as potential conversion sites,indicating that the biotransformation processes in tilapia primarily involve reactions between the quinolone ring(4 items)and piperazine ring(6 items).This study demonstrates the effectiveness of combining high-resolution mass spectrometry with molecular networking to identify enrofloxacin transformation products,offering valuable insights for detecting and tracking emerging contaminants of antibiotic in complex environments.

关 键 词：分子网络 转化产物 恩诺沙星 罗非鱼 产物鉴定 

分 类 号：X502[环境科学与工程—环境工程]