Non-targeted identification of tianeptine photodegradation products in water samples by UHPLC-QTOF MS/MS,Chemosphere

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Non-targeted identification of tianeptine photodegradation products in water samples by UHPLC-QTOF MS/MS
Chemosphere ( IF 8.1 ) Pub Date : 2024-06-06 , DOI: 10.1016/j.chemosphere.2024.142534
Enmanuel Cruz Muñoz ₁ , Veronica Termopoli ₂ , Marco Orlandi ₃ , Fabio Gosetti ₃

Affiliation

This study aims the characterization of several tianeptine transformation products in ultrapure water by simulated sunlight irradiation. Tianeptine was completely degraded after 106 h of exposition following pseudo-first-order kinetics (half-life time = 12.0 ± 2.4 h). Furthermore, an ultra-high-performance liquid chromatography coupled with a high-resolution quadrupole time-of-flight-mass spectrometry method was developed and fully validated taking into account different method performance parameters for the quantification of tianeptine in river water up to a concentration of 400 pg L. Following a non-targeted approach based on mass data-independent acquisition, eight different transformation products not previously reported in the literature were identified and accordingly elucidated, proposing a photodegradation mechanism based on the accurate tandem mass spectrometry information acquired. Irradiation experiments were replicated for a tianeptine solution prepared in a blank river water sample, resulting in the formation of the same transformation products and similar degradation kinetics. In addition, a toxicity assessment of the photoproducts was performed by method, being generally all TPs of comparable toxicity to the precursor except for TP1, and showing a similar persistence in the environment except for TP2 and TP6, while TP4 was the only TP predicted as mutagenic. The developed method was applied for the analysis of four river water samples.

中文翻译：

UHPLC-QTOF MS/MS 非靶向鉴定水样中噻奈普汀光降解产物

本研究旨在通过模拟阳光照射来表征超纯水中的几种噻奈普汀转化产物。噻奈普汀在暴露 106 小时后按照伪一级动力学完全降解（半衰期 = 12.0 ± 2.4 小时）。此外，还开发了一种超高效液相色谱与高分辨率四极杆飞行时间质谱联用方法，并考虑到不同的方法性能参数，对河水中噻奈普汀的定量（最高浓度）进行了充分验证。 400 pg L。采用基于大量数据独立采集的非靶向方法，鉴定并相应地阐明了之前文献中未报道的八种不同的转化产物，提出了基于所获得的准确串联质谱信息的光降解机制。对空白河水样品中制备的噻奈普汀溶液进行了重复辐照实验，导致形成相同的转化产物和相似的降解动力学。此外，通过方法对光产物进行了毒性评估，通常除TP1外，所有TP都与前体具有相当的毒性，并且除TP2和TP6外，在环境中显示出类似的持久性，而TP4是唯一预测为的TP致突变性。所开发的方法用于分析四种河流水样。

更新日期：2024-06-06

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