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Application of high-resolution mass spectrometer combined with molecular networking in the analysis of enrofloxacin and its transformation product in fish
Received:December 23, 2024  
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KeyWord:molecular network;transformation product;enrofloxacin;tilapia;product identification
Author NameAffiliationE-mail
ZHU Lei Wuxi Fisheries College, Nanjing Agricultural University, Wuxi 214081, China  
FANG Longxiang Freshwater Fisheries Research Center, Chinese Academy of Fishery Sciences, Wuxi 214081, China
Laboratory of Quality & Safety Risk Assessment for Aquatic Products on Environmental FactorsWuxi, 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 
 
LI Dandan Freshwater Fisheries Research Center, Chinese Academy of Fishery Sciences, Wuxi 214081, China
Laboratory of Quality & Safety Risk Assessment for Aquatic Products on Environmental FactorsWuxi, 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 
 
HU Gengdong Freshwater Fisheries Research Center, Chinese Academy of Fishery Sciences, Wuxi 214081, China
Laboratory of Quality & Safety Risk Assessment for Aquatic Products on Environmental FactorsWuxi, 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 
 
QIU Liping Freshwater Fisheries Research Center, Chinese Academy of Fishery Sciences, Wuxi 214081, China
Laboratory of Quality & Safety Risk Assessment for Aquatic Products on Environmental FactorsWuxi, 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 
 
MENG Shunlong 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 FactorsWuxi, 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 
mengsl@ffrc.cn 
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 FactorsWuxi, 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 
songc@ffrc.cn 
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Abstract:
      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 highresolution mass spectrometry with molecular networking to identify enrofloxacin transformation products, offering valuable insights for detecting and tracking emerging contaminants of antibiotic in complex environments.