Investigating the presence of pesticide transformation products in water by using liquid chromatography‐mass spectrometry with different mass analyzers

Abstract

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Use of quadrupole time‐of‐flight mass spectrometry to determine proposed structures of transformation products of the herbicide bromacil after water chlorination

“…Product ions showed m/z 61.0388 (CH 5 N 2 O, ΔmDa=-1.4, as regards the theoretical exact mass) and 57.0693 (C 4 H 9 , ΔmDa=1.1, corresponding to the secbutyl group) and were in accordance with the structure proposed in Figure 5. It is interesting to remark that this TP had been previously reported by our own group when studying the photodegradation of bromacil [9]. In that occasion, a poor fragmentation was also observed.…”

“…On the basis of the results obtained, in those waters contaminated by bromacil and subjected to chlorination, it would be more interesting the investigation of the presence of the TPs reported in this work than the bromacil parent, due to its rapid degradation. TP1 (ph [9], ch) (oz [3,4]) (oz [3,4], ph*[3]) (ph [9]) (ph [3], ph* [3]) (ph, [3]) oz=ozonolyis ph=photodegradation, 254 nm ph*=photodegradation, 400-700 nm ch=chlorination…”

“…MS data were acquired in centroid mode and processed using MetaboLynx software (MassLynx v 4.1) (Waters Corporation, Manchester), which has been proved to be highly useful in previous studies on pesticide metabolites/TPs performed at our laboratory [9,[14][15][16].…”

Pesticide residues and transformation products in groundwater from a Spanish agricultural region on the Mediterranean Coast

“…In this case, metabolites or degradation products (in general, pesticide TPs) may be unknown, and their detection and identification become an important part of the analytical task [26]. Pesticide TPs are considered particularly relevant within the group of so-called emerging contaminants [27,28], and their determination is an analytical challenge, as has been recently pointed out by our own research group [29].…”

Simultaneous determination of triazines and their main transformation products in surface and urban wastewater by ultra-high-pressure liquid chromatography–tandem mass spectrometry

“…Due to their high mobility in the soil-water environment, TPs can reach water bodies more easily. The presence of metabolites when investigating the effect of herbicide application and its influence on the aquatic environment is relevant and the impact due to herbicides tends to be underestimated when samples are analyzed for the parent compounds only [13,14]. Therefore, the most relevant TPs should be incorporated into current analytical methods to obtain a more realistic knowledge of water quality regarding pesticide contamination [15,16].…”