Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis
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Título
Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysisAutoría
Fecha de publicación
2015-05Editor
Springer VerlagISSN
1618-2642; 1618-2650Cita bibliográfica
SCHYMANSKI, Emma L., et al. Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis. Analytical and bioanalytical chemistry, 2015, vol. 407, no 21, p. 6237-6255Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://link.springer.com/article/10.1007%2Fs00216-015-8681-7Versión
info:eu-repo/semantics/submittedVersionPalabras clave / Materias
Resumen
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 ... [+]
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 and methods 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 of more spectra from standard
substances into (openly accessible) databases. [-]
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Analytical and bioanalytical chemistry (2015) 407:6237–6255Derechos de acceso
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