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Using mass spectrometry to highlight structures of degradation compounds obtained by photolysis of chloroacetamides: case of acetochlor.

Abstract : The photooxidation of acetochlor (a pesticide belonging to the acetamides group) using a polychromatic UV irradiation in ultrapure water was studied. This study reports the efficiency of mass spectrometry for the characterization of photodegradation products of acetochlor. Decompositions of protonated ions MH+are proposed in electrospray (ESI) mode for LC-MS, while electron ionization (EI) and chemical ionization modes (CI) are used for GC-MS. The knowledge of fragmentation and the use of a combination of experiments (MS/MS, high resolution) allow the characterization of photoproducts. Structural elucidation is assisted by the use of photolysed deuterated compounds. Fifteen major degradation products have been characterized, five by LC-QTOF, six photoproducts by GC-ITMS, and four are observed by both techniques. In vitro bioassays based on the quantification of receptor-mediated activity demonstrated that acetochlor photolysis engenders a moderate but significant estrogenic activity. Moreover, a quantitative structure-activity relationship (QSAR) approach was used to assess the potential toxicity effect of acetochlor and its by-products. The predictions were analyzed showing a variety of toxicity profiles of acetochlor photoproducts depending on the toxicological investigated endpoint.
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https://hal-polytechnique.archives-ouvertes.fr/hal-00880179
Contributor : Denis Roura Connect in order to contact the contributor
Submitted on : Wednesday, November 6, 2013 - 2:30:06 PM
Last modification on : Saturday, June 25, 2022 - 8:52:57 AM

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yasmine Souissi, Sophie Bourcier, Sélim Ait-Aissa, Emmanuelle Maillot-Maréchal, Stéphane Bouchonnet, et al.. Using mass spectrometry to highlight structures of degradation compounds obtained by photolysis of chloroacetamides: case of acetochlor.. Journal of Chromatography A, Elsevier, 2013, 1310 (1), pp.98-112. ⟨10.1016/j.chroma.2013.07.091⟩. ⟨hal-00880179⟩

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