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Benchmarking of the...
Benchmarking of the quantification approaches for the non-targeted screening of micropollutants and their transformation products in groundwater
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- Kruve, Anneli (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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Kiefer, Karin (author)
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Hollender, Juliane (author)
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(creator_code:org_t)
- 2021-01-27
- 2021
- English.
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In: Analytical and Bioanalytical Chemistry. - : Springer Science and Business Media LLC. - 1618-2642 .- 1618-2650. ; 413:6, s. 1549-1559
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Abstract
Subject headings
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- A wide range of micropollutants can be monitored with non-targeted screening; however, the quantification of the newly discovered compounds is challenging. Transformation products (TPs) are especially problematic because analytical standards are rarely available. Here, we compared three quantification approaches for non-target compounds that do not require the availability of analytical standards. The comparison is based on a unique set of concentration data for 341 compounds, mainly pesticides, pharmaceuticals, and their TPs in 31 groundwater samples from Switzerland. The best accuracy was observed with the predicted ionization efficiency-based quantification, the mean error of concentration prediction for the groundwater samples was a factor of 1.8, and all of the 74 micropollutants detected in the groundwater were quantified with an error less than a factor of 10. The quantification of TPs with the parent compounds had significantly lower accuracy (mean error of a factor of 3.8) and could only be applied to a fraction of the detected compounds, while the mean performance (mean error of a factor of 3.2) of the closest eluting standard approach was similar to the parent compound approach.
Subject headings
- NATURVETENSKAP -- Geovetenskap och miljövetenskap (hsv//swe)
- NATURAL SCIENCES -- Earth and Related Environmental Sciences (hsv//eng)
Keyword
- LC/HRMS
- Non-targeted
- Quantification
- Transformation products
Publication and Content Type
- ref (subject category)
- art (subject category)
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