Identification of Ofloxacin Metabolites in Mice Based on Metabolomics and Feature-based Molecular Network Technologies

WANG Jian-feng; WANG Ze-hao; ZHANG Yi-kai; LIU Yan; FENG Yue-chao

doi:10.19969/j.fxcsxb.23042502

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Identification of Ofloxacin Metabolites in Mice Based on Metabolomics and Feature-based Molecular Network Technologies

Experimental Techniques and Methods | 更新时间：2023-09-19

- Identification of Ofloxacin Metabolites in Mice Based on Metabolomics and Feature-based Molecular Network Technologies
- Journal of Instrumental Analysis Vol. 42, Issue 9, Pages: 1168-1173(2023)
- 作者机构：
  
  1.北京市科学技术研究院分析测试研究所（北京市理化分析测试中心），北京市食品安全分析测试工程技术研究中心，北京 100089
  2.首都师范大学化学系，北京 100048
- 作者简介：
- 基金信息：
- DOI：10.19969/j.fxcsxb.23042502
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王建凤,王泽昊,张艺楷等.基于代谢组学和特征分子网络技术分析小鼠体内氧氟沙星的代谢产物[J].分析测试学报,2023,42(09):1168-1173.

WANG Jian-feng,WANG Ze-hao,ZHANG Yi-kai,et al.Identification of Ofloxacin Metabolites in Mice Based on Metabolomics and Feature-based Molecular Network Technologies[J].Journal of Instrumental Analysis,2023,42(09):1168-1173.
王建凤,王泽昊,张艺楷等.基于代谢组学和特征分子网络技术分析小鼠体内氧氟沙星的代谢产物[J].分析测试学报,2023,42(09):1168-1173. DOI： 10.19969/j.fxcsxb.23042502.

WANG Jian-feng,WANG Ze-hao,ZHANG Yi-kai,et al.Identification of Ofloxacin Metabolites in Mice Based on Metabolomics and Feature-based Molecular Network Technologies[J].Journal of Instrumental Analysis,2023,42(09):1168-1173. DOI： 10.19969/j.fxcsxb.23042502.

摘要

借助超高效液相色谱-四极杆串联飞行时间质谱（UHPLC-Q-TOF MS），结合代谢组学及特征分子网络（FBMN）技术，分析氧氟沙星在小鼠肌肉、结肠、肝脏、肾脏、回肠及内容物中的代谢产物。依据人类代谢组数据库（HMDB），利用代谢组学软件Progenesis QI鉴定出小鼠体内氧氟沙星的2种代谢产物，分别为N-氧化产物和培氟沙星；在FBMN技术下，依据可视化结果鉴定出5种代谢产物，其中两种与QI鉴定结果相同，另外3种分别为脱羧产物、脱羧后N-脱烷基化产物、脱氨后开环脱羧产物。采用所建立的方法快速分析了小鼠体内氧氟沙星的代谢产物。该方法具有快速、准确、无需标准品等特点，在其他代谢产物的分析方面具有广泛的应用前景。

Abstract

The method was developed to analyze the metabolic products of ofloxacin in muscle，colon，liver，kidney，ileum and gut content of mice，with an ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry（UHPLC-Q-TOF MS）. Metabolomics and feature-based molecular networking（FBMN） technology were used for data processing based on precise molecular weight. With the aid of the Human Metabolome Database（HMDB），two metabolic products of ofloxacin in mice were identified by metabolomics software of Progenesis QI，that is，N-oxidation product and pefloxacin，and the other three metabolic products，which are decarboxylation products，N-dealkylation products after decarboxylation，and ring-opening decarboxylation products after deamination，were identified by FBMN. The developed method can analyze the metabolic products of ofloxacin in mice with rapid，accurate and no standards. It has a broad application in analyzing other metabolic products.

关键词

氧氟沙星代谢产物高分辨质谱特征分子网络小鼠

Keywords

ofloxacinmetaboliteshigh resolution mass spectrometryFBMNmice

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