(Q38481468)

3 September 2017

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title

Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis (English)

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3 September 2017

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1

Emma L Schymanski

1 reference

3 September 2017

Pawel Rostkowski

27

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Tobias Schulze

Tobias Schulze

7

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Tania Portolés

Tania Portolés

15

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Heinz Singer

Heinz P Singer

2

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Sara Bogialli

Sara Bogialli

25

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Peter Haglund

Peter Haglund

8

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Nikolaos S. Thomaidis

Nikolaos S Thomaidis

11

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Juliane Hollender

28

Juliane Hollender

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3 September 2017

3

Jaroslav Slobodnik

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3 September 2017

17

Malcolm J Reid

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3 September 2017

10

Sylvia Grosse

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3 September 2017

Thomas Letzel

9

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Martin Krauss

6

Martin Krauss

1 reference

3 September 2017

Ildiko M Ipolyi

4

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3 September 2017

Peter Oswald

5

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3 September 2017

Anna Bletsou

12

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3 September 2017

Christian Zwiener

13

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3 September 2017

María Ibáñez

14

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3 September 2017

Ronald de Boer

16

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3 September 2017

Matthias Onghena

18

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3 September 2017

Uwe Kunkel

19

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3 September 2017

Wolfgang Schulz

20

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3 September 2017

Amélie Guillon

21

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3 September 2017

Naïke Noyon

22

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3 September 2017

Gaëla Leroy

23

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3 September 2017

Philippe Bados

24

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3 September 2017

Draženka Stipaničev

26

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3 September 2017

language of work or name

English

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publication date

15 May 2015

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Analytical and Bioanalytical Chemistry

3 September 2017

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3 September 2017

407

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3 September 2017

6237-6255

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3 September 2017

21

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https://scigraph.springernature.com/pub.10.1007/s00216-015-8681-7

3 September 2017

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Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry

21 January 2018

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Is nontarget screening of emerging contaminants by LC-HRMS successful? A plea for compound libraries and computer tools

21 January 2018

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Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening

21 January 2018

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Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

21 January 2018

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Metabolite identification: are you sure? And how do your peers gauge your confidence?

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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Use of electron ionization and atmospheric pressure chemical ionization in gas chromatography coupled to time-of-flight mass spectrometry for screening and identification of organic pollutants in waters.

21 January 2018

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Advancing towards universal screening for organic pollutants in waters

21 January 2018

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High-throughput identification of microbial transformation products of organic micropollutants

21 January 2018

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Identification of transformation products of organic contaminants in natural waters by computer-aided prediction and high-resolution mass spectrometry

21 January 2018

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Biotransformation of benzotriazoles: insights from transformation product identification and compound-specific isotope analysis.

21 January 2018

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Alleviating the reference standard dilemma using a systematic exact mass suspect screening approach with liquid chromatography-high resolution mass spectrometry.

21 January 2018

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Analysis of hydraulic fracturing flowback and produced waters using accurate mass: identification of ethoxylated surfactants.

21 January 2018

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Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments

21 January 2018

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Identifying new persistent and bioaccumulative organics among chemicals in commerce. III: byproducts, impurities, and transformation products

21 January 2018

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Linear Solvation Energy Relationships as classifiers in non-target analysis—A capillary liquid chromatography approach

21 January 2018

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In silico fragmentation for computer assisted identification of metabolite mass spectra

21 January 2018

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Identification of "known unknowns" utilizing accurate mass data and chemical abstracts service databases

21 January 2018

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Identification of "known unknowns" utilizing accurate mass data and ChemSpider

21 January 2018

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Serial coupling of reversed-phase and zwitterionic hydrophilic interaction LC/MS for the analysis of polar and nonpolar phenols in wine.

21 January 2018

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A new approach to data evaluation in the non-target screening of organic trace substances in water analysis

21 January 2018

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MassBank: a public repository for sharing mass spectral data for life sciences

21 January 2018

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Development and practical application of a library of CID accurate mass spectra of more than 2,500 toxic compounds for systematic toxicological analysis by LC-QTOF-MS with data-dependent acquisition

21 January 2018

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METLIN: a metabolite mass spectral database

21 January 2018

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MetFusion: integration of compound identification strategies

21 January 2018

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Open Babel: An open chemical toolbox

21 January 2018

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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

21 January 2018

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Discharge of three benzotriazole corrosion inhibitors with municipal wastewater and improvements by membrane bioreactor treatment and ozonation

21 January 2018

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Computing fragmentation trees from tandem mass spectrometry data

21 January 2018

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Highly accurate chemical formula prediction tool utilizing high-resolution mass spectra, MS/MS fragmentation, heuristic rules, and isotope pattern matching.

21 January 2018

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Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties

21 January 2018

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Use of boiling point–Lee retention index correlation for rapid review of gas chromatography-mass spectrometry data

21 January 2018

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Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.

21 January 2018

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Determination of molecular formulas of natural organic matter molecules by (ultra-) high-resolution mass spectrometry: status and needs

21 January 2018

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Identifying New Persistent and Bioaccumulative Organics Among Chemicals in Commerce

21 January 2018

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Identifying New Persistent and Bioaccumulative Organics Among Chemicals in Commerce II: Pharmaceuticals

21 January 2018

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10.1007/S00216-015-8681-7

21 January 2018

Identifiers

DOI

1 reference

3 September 2017

1 reference