Cited by 743Pesticide Residue Analysis and SafetyMass Spectrometry Techniques and ApplicationsMetabolomics and Mass Spectrometry Studies

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LC–high resolution MS in environmental analysis: from target screening to the identification of unknowns

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Krauss, Martin, Singer, Heinz, Hollender, Juliane·2010·Analytical and Bioanalytical Chemistry

DOI 10.1007/s00216-010-3608-9

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Abstract

This article provides an overview of the state-of-the-art and future trends of the application of LC-high resolution mass spectrometry to the environmental analysis of polar micropollutants. Highly resolved and accurate hybrid tandem mass spectrometry such as quadrupole/time-of-flight and linear ion trap/orbitrap technology allows for a more reliable target analysis with reference standards, a screening for suspected analytes without reference standards, and a screening for unknowns. A reliable identification requires both high resolving power and high mass spectral accuracy to increase selectivity against the matrix background and for a correct molecular formula assignment to unknown compounds. For the identification and structure elucidation of unknown compounds within a reasonable time frame and with a reasonable soundness, advanced automated software solutions as well as improved prediction systems for theoretical fragmentation patterns, retention times, and ionization behavior are needed.

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Hollender J, Singer H, Hernando D, Kosjek T, Heath E (2009) In: Kassinos D, Kümmerer K, Bester K (eds) Xenobiotics in the urban water cycle: mass flows, environmental processes, mitigation and treatment strategies, Springer, Dordrecht, pp 195–211

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Authors: Krauss, M., Singer, H., & Hollender, J.
Affiliations: Swiss Federal Institute of Aquatic Science and Technology (CH)
Corresponding author: Singer, Heinz
ORCID: Krauss, Martin
Singer, Heinz
Hollender, Juliane
Venue: Analytical and Bioanalytical Chemistry
Publisher: Springer Science and Business Media LLC
Published: 2010-03-16
Volume: 397
Issue: 3
Pages: 943-951
ISSN: 1618-2642 (ISSN-L)
1618-2650
DOI: 10.1007/s00216-010-3608-9
OpenAlex: W2021828609
Cited by: 743
References: 35
Citations by year: 2026: 22 · 2025: 32 · 2024: 38 · 2023: 44 · 2022: 61 · 2021: 55 · 2020: 50 · 2019: 51 · 2018: 72 · 2017: 59 · 2016: 57 · 2015: 71 · 2014: 40 · 2013: 36 · 2012: 22
FWCI: 42.62
Type: journal article
Language: en
Open access: green
www.dora.lib4ri.ch
Licence: other-oa
www.springer.com/tdm (tdm)
Locations: Analytical and Bioanalytical Chemistry (publishedVersion)
PubMed (publishedVersion)
reroDoc Digital Library (submittedVersion)
DORA Eawag (Swiss Federal Institute of Aquatic Science and Technology (Eawag)) (submittedVersion, other-oa)
Topics: Life Sciences › Agricultural and Biological Sciences › Food Science › Pesticide Residue Analysis and Safety
Physical Sciences › Chemistry › Spectroscopy › Mass Spectrometry Techniques and Applications
Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
Keywords: environmental analysis, target screening, unknown compound identification, quadrupole time-of-flight, molecular formula assignment, structure elucidation, retention time prediction, herbicides, linuron, soil extracts

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LC–high resolution MS in environmental analysis: from target screening to the identification of unknowns

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