Journal
CHEMOSPHERE
Volume 81, Issue 3, Pages 372-380Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.chemosphere.2010.07.017
Keywords
Mesotrione; Metabolic profiling; NMR spectroscopy; LC-NMR; LC-MS; Metabolites
Categories
Funding
- French Ministere de la Recherche
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Enhanced knowledge of pesticide transformation products formed in the environment could lead to both accurate estimates of the overall effects of these compounds on environmental ecosystems and human health and improved removal processes These compounds can present chemical and environmental behaviours completely different from the starting active ingredient The difficulty lies on their identification or/and their quantification due to the lack of analytical reference standards In this context, ex situ Nuclear Magnetic Resonance (NMR) and Liquid Chromatography-NMR (LC-NMR) were used as complementary tools to LC-Mass Spectrometry (MS) to define the metabolic pathway of mesotrione. an emergent herbicide, by the bacterial strain Bacillus sp. 3B6 The complementarities of ex situ and LC-NMR allowed us to unambiguously identify six metabolites whereas the structures of only four metabolites were suggested by LC-MS The presence of a new metabolic pathway was evidenced by NMR. These results demonstrate that NMR and LC-NMR spectroscopy provided unambiguous structural information for xenobiotic metabolic profiling, even at moderate magnetic field and allowed direct absolute quantification despite the lack of commercial or synthetic standards, required for LC-MS techniques. (C) 2010 Elsevier Ltd. All rights reserved.
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