Show simple item record

dc.contributor.author
Kiefer, Karin
dc.contributor.author
Du, Letian
dc.contributor.author
Singer, Heinz
dc.contributor.author
Hollender, Juliane
dc.date.accessioned
2021-04-19T15:23:57Z
dc.date.available
2021-04-02T02:50:53Z
dc.date.available
2021-04-19T15:23:57Z
dc.date.issued
2021-05-15
dc.identifier.issn
0043-1354
dc.identifier.issn
1879-2448
dc.identifier.other
10.1016/j.watres.2021.116994
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/477346
dc.identifier.doi
10.3929/ethz-b-000477346
dc.description.abstract
Groundwater is a major drinking water resource but its quality with regard to organic micropollutants (MPs) is insufficiently assessed. Therefore, we aimed to investigate Swiss groundwater more comprehensively using liquid chromatography high-resolution tandem mass spectrometry (LC-HRMS/MS). First, samples from 60 sites were classified as having high or low urban or agricultural influence based on 498 target compounds associated with either urban or agricultural sources. Second, all LC-HRMS signals were related to their potential origin (urban, urban and agricultural, agricultural, or not classifiable) based on their occurrence and intensity in the classified samples. A considerable fraction of estimated concentrations associated with urban and/or agricultural sources could not be explained by the 139 detected targets. The most intense nontarget signals were automatically annotated with structure proposals using MetFrag and SIRIUS4/CSI:FingerID with a list of >988,000 compounds. Additionally, suspect screening was performed for 1162 compounds with predicted high groundwater mobility from primarily urban sources. Finally, 12 nontargets and 11 suspects were identified unequivocally (Level 1), while 17 further compounds were tentatively identified (Level 2a/3). amongst these were 13 pollutants thus far not reported in groundwater, such as: the industrial chemicals 2,5-dichlorobenzenesulfonic acid (19 detections, up to 100 ng L−1), phenylphosponic acid (10 detections, up to 50 ng L−1), triisopropanolamine borate (2 detections, up to 40 ng L−1), O-des[2-aminoethyl]-O-carboxymethyl dehydroamlodipine, a transformation product (TP) of the blood pressure regulator amlodipine (17 detections), and the TP SYN542490 of the herbicide metolachlor (Level 3, 33 detections, estimated concentrations up to 100–500 ng L−1). One monitoring site was far more contaminated than other sites based on estimated total concentrations of potential MPs, which was supported by the elucidation of site-specific nontarget signals such as the carcinogen chlorendic acid, and various naphthalenedisulfonic acids. Many compounds remained unknown, but overall, source related prioritisation proved an effective approach to support identification of compounds in groundwater.
en_US
dc.format
application/pdf
en_US
dc.language.iso
en
en_US
dc.publisher
Elsevier
en_US
dc.rights.uri
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject
Target screening
en_US
dc.subject
Nontarget screening
en_US
dc.subject
Micropollutant
en_US
dc.subject
Persistent and mobile compounds
en_US
dc.subject
PMOC
en_US
dc.subject
AcquireX
en_US
dc.title
Identification of LC-HRMS nontarget signals in groundwater after source related prioritization
en_US
dc.type
Journal Article
dc.rights.license
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
dc.date.published
2021-03-02
ethz.journal.title
Water Research
ethz.journal.volume
196
en_US
ethz.journal.abbreviated
Water Res.
ethz.pages.start
116994
en_US
ethz.size
12 p.
en_US
ethz.version.deposit
publishedVersion
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
Amsterdam
en_US
ethz.publication.status
published
en_US
ethz.date.deposited
2021-04-02T02:50:58Z
ethz.source
SCOPUS
ethz.eth
yes
en_US
ethz.availability
Open access
en_US
ethz.rosetta.installDate
2021-04-19T15:24:06Z
ethz.rosetta.lastUpdated
2022-03-29T06:39:06Z
ethz.rosetta.versionExported
true
ethz.COinS
ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.atitle=Identification%20of%20LC-HRMS%20nontarget%20signals%20in%20groundwater%20after%20source%20related%20prioritization&rft.jtitle=Water%20Research&rft.date=2021-05-15&rft.volume=196&rft.spage=116994&rft.issn=0043-1354&1879-2448&rft.au=Kiefer,%20Karin&Du,%20Letian&Singer,%20Heinz&Hollender,%20Juliane&rft.genre=article&rft_id=info:doi/10.1016/j.watres.2021.116994&
 Search print copy at ETH Library

Files in this item

Thumbnail

Publication type

Show simple item record