NORMAN_Collaborative_Nontarget_Trial_2013 0 2082

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EXPO Open Data
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Raw data and presentations of the workshop regarding the NORMAN_Collaborative_Nontarget_Trial_2013

Abstract of related publication:
In this article, a dataset from a collaborative nontarget screening trial organised by the NORMAN Association
is used to review the state-of-the-art and discuss future perspectives of non-target screening using high-resolution mass
spectrometry in water analysis. A total of 18 institutes from 12 European countries analysed an extract of the same water
sample collected from the River Danube with either one or both of liquid and gas chromatography coupled with mass spectrometry detection. This article focuses mainly on the
use of high resolution screening techniques with target, suspect, and non-target workflows to identify substances in environmental
samples. Specific examples are given to emphasise major challenges including isobaric and co-eluting substances, dependence
on target and suspect lists, formula assignment, the use of retention information, and the confidence of identification.
Approaches andmethods applicable to unit resolution data are also discussed. Although most substances were identified
using high resolution data with target and suspect-screening approaches, some participants proposed tentative non-target
identifications. This comprehensive dataset revealed that nontarget analytical techniques are already substantially
harmonised between the participants, but the data processing remains time-consuming. Although the objective of a Bfullyautomated
identification workflow^ remains elusive in the short term, important steps in this direction have been taken,
exemplified by the growing popularity of suspect screening approaches. Major recommendations to improve non-target
screening include better integration and connection of desired features into software packages, the exchange of target and
suspect lists, and the contribution ofmore spectra from standard substances into (openly accessible) databases.
Keywords Non-target screening.
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Metadaten Kataloge
Dublin Core
URI
http://www.ufz.de/record/dmp/archive/2082
Thema
NORMAN_Collaborative_Nontarget_Trial_2013
Datenart
Sammlung verschiedener Daten
Datenstatus
bearbeitete Daten
Datenformat
tar
Urheber
Schulze, Tobias
Herausgeber
Norman Association
Rechteinhaber
Norman Association
Beziehungen zu verwandten Daten
DOI: 10.1007/s00216-015-8681-7
Zeitpunkt oder -bereich der Erzeugung der Daten
31.07.2015
Sprache des Inhalts
Englisch
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