Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis

[1]  Edward P. Kolodziej,et al.  A ubiquitous tire rubber–derived chemical induces acute mortality in coho salmon , 2020, Science.

[2]  Kevin V. Thomas,et al.  An assessment of quality assurance/quality control efforts in high resolution mass spectrometry non-target workflows for analysis of environmental samples , 2020, TrAC Trends in Analytical Chemistry.

[3]  MassBank-consortium and its contributors.  MassBank/MassBank-data: Release version 2020.11 , 2020 .

[4]  Emma L. Schymanski,et al.  Tracking complex mixtures of chemicals in our changing environment , 2020, Science.

[5]  G. Rawnsley.  Communicating Confidence , 2020, Routledge Handbook of Public Diplomacy.

[6]  Torsten C. Schmidt,et al.  Comparison of Software Tools for Liquid Chromatography–High-Resolution Mass Spectrometry Data Processing in Nontarget Screening of Environmental Samples , 2020 .

[7]  T. Schmidt,et al.  Comparison of Software Tools for LC-HRMS Data Processing in Non-Target Screening of Environmental Samples. , 2019, Analytical chemistry.

[8]  Malcolm J. Reid,et al.  A Self Adjusting Algorithm for the Non-targeted Feature Detection of High Resolution Mass Spectrometry Coupled with Liquid Chromatography Profile Data. , 2019, Analytical chemistry.

[9]  Emma L. Schymanski,et al.  Nontarget Screening Reveals Time Trends of Polar Micropollutants in a Riverbank Filtration System , 2019, Environmental science & technology.

[10]  Reza Aalizadeh,et al.  NORMAN digital sample freezing platform: A European virtual platform to exchange liquid chromatography high resolution-mass spectrometry data and screen suspects in “digitally frozen” environmental samples , 2019, TrAC Trends in Analytical Chemistry.

[11]  Ronald A Hites,et al.  Response to "Letter to the Editor: Optimism for Nontarget Analysis in Environmental Chemistry". , 2019, Environmental science & technology.

[12]  Malcolm J Reid,et al.  Letter to the Editor: Optimism for Nontarget Analysis in Environmental Chemistry. , 2019, Environmental science & technology.

[13]  Hui Jiang,et al.  Machine learning combined with non-targeted LC-HRMS analysis for a risk warning system of chemical hazards in drinking water: A proof of concept. , 2019, Talanta.

[14]  Thomas Letzel,et al.  The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques , 2019, Analytical and Bioanalytical Chemistry.

[15]  Malcolm J. Reid,et al.  The effect of extraction methodology on the recovery and distribution of naphthenic acids of oilfield produced water. , 2019, The Science of the total environment.

[16]  Reza Aalizadeh,et al.  Development and application of retention time prediction models in the suspect and non-target screening of emerging contaminants. , 2019, Journal of hazardous materials.

[17]  Amadeo R. Fernández-Alba,et al.  An overview of non-targeted screening strategies based on high resolution accurate mass spectrometry for the identification of migrants coming from plastic food packaging materials , 2019, TrAC Trends in Analytical Chemistry.

[18]  Kamel Mansouri,et al.  EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings , 2018, Analytical and Bioanalytical Chemistry.

[19]  Malcolm J. Reid,et al.  Assessing sample extraction efficiencies for the analysis of complex unresolved mixtures of organic pollutants: A comprehensive non-target approach. , 2018, Analytica chimica acta.

[20]  I. Allan,et al.  Mobile dynamic passive sampling of trace organic compounds: Evaluation of sampler performance in the Danube River. , 2018, The Science of the total environment.

[21]  Christopher W.K. Chow,et al.  Development of smart data analytics tools to support wastewater treatment plant operation , 2018, Chemometrics and Intelligent Laboratory Systems.

[22]  Jian Ji,et al.  Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics , 2018, Metabolites.

[23]  Emma L. Schymanski,et al.  Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass Spectrometry. , 2018, Environmental science & technology.

[24]  Malcolm J Reid,et al.  Combining a Deconvolution and a Universal Library Search Algorithm for the Nontarget Analysis of Data-Independent Acquisition Mode Liquid Chromatography-High-Resolution Mass Spectrometry Results. , 2018, Environmental science & technology.

[25]  Boris L. Milman,et al.  The chemical space for non-target analysis , 2017 .

[26]  Emma L. Schymanski,et al.  Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go? , 2017, Environmental science & technology.

[27]  Malcolm J Reid,et al.  Two stage algorithm vs commonly used approaches for the suspect screening of complex environmental samples analyzed via liquid chromatography high resolution time of flight mass spectroscopy: A test study. , 2017, Journal of chromatography. A.

[28]  Malcolm J Reid,et al.  Statistical Variable Selection: An Alternative Prioritization Strategy during the Nontarget Analysis of LC-HR-MS Data. , 2017, Analytical chemistry.

[29]  Herbert Oberacher,et al.  Current status of non-targeted liquid chromatography-tandem mass spectrometry in forensic toxicology , 2016 .

[30]  Erik Schultes,et al.  The FAIR Guiding Principles for scientific data management and stewardship , 2016, Scientific Data.

[31]  Emilio Marengo,et al.  Contaminants in water: non-target UHPLC/MS analysis , 2016, Environmental Chemistry Letters.

[32]  Valeria Dulio,et al.  Position paper on passive sampling techniques for the monitoring of contaminants in the aquatic environment – Achievements to date and perspectives , 2015 .

[33]  Thomas Letzel,et al.  Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis , 2015, Analytical and Bioanalytical Chemistry.

[34]  Nikolaos S. Thomaidis,et al.  Targeted and non-targeted liquid chromatography-mass spectrometric workflows for identification of transformation products of emerging pollutants in the aquatic environment , 2015 .

[35]  Emma L. Schymanski,et al.  Identifying small molecules via high resolution mass spectrometry: communicating confidence. , 2014, Environmental science & technology.

[36]  Eric W. Deutsch,et al.  File Formats Commonly Used in Mass Spectrometry Proteomics* , 2012, Molecular & Cellular Proteomics.

[37]  Natalie I. Tasman,et al.  A Cross-platform Toolkit for Mass Spectrometry and Proteomics , 2012, Nature Biotechnology.

[38]  Asaph Aharoni,et al.  Evaluation of peak picking quality in LC-MS metabolomics data. , 2010, Analytical chemistry.

[39]  Melanie Volkamer,et al.  Proof of Concept , 2009 .

[40]  I. Allan,et al.  Passive sampling techniques for monitoring pollutants in water , 2005 .