review article | Q7318358 |
scholarly article | Q13442814 |
P356 | DOI | 10.1007/S00216-015-8681-7 |
P2888 | exact match | https://scigraph.springernature.com/pub.10.1007/s00216-015-8681-7 |
P698 | PubMed publication ID | 25976391 |
P50 | author | Emma L. Schymanski | Q27863244 |
Tania Portolés | Q55950422 | ||
Sara Bogialli | Q56986108 | ||
Thomas Letzel | Q88390714 | ||
Malcolm J Reid | Q90896770 | ||
Jaroslav Slobodnik | Q99268384 | ||
Martin Krauss | Q108540708 | ||
Sylvia Grosse | Q117233373 | ||
Nikolaos S. Thomaidis | Q41161336 | ||
Heinz Singer | Q42850572 | ||
Juliane Hollender | Q42850575 | ||
Peter Haglund | Q43348250 | ||
Tobias Schulze | Q43370336 | ||
Pawel Rostkowski | Q51069826 | ||
P2093 | author name string | Wolfgang Schulz | |
Christian Zwiener | |||
Gaëla Leroy | |||
María Ibáñez | |||
Matthias Onghena | |||
Philippe Bados | |||
Peter Oswald | |||
Uwe Kunkel | |||
Draženka Stipaničev | |||
Amélie Guillon | |||
Ronald de Boer | |||
Anna Bletsou | |||
Ildiko M Ipolyi | |||
Naïke Noyon | |||
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P433 | issue | 21 | |
P407 | language of work or name | English | Q1860 |
P921 | main subject | collaboration | Q1145523 |
P304 | page(s) | 6237-6255 | |
P577 | publication date | 2015-05-15 | |
P1433 | published in | Analytical and Bioanalytical Chemistry | Q2845280 |
P1476 | title | Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis | |
P478 | volume | 407 |
Q93211913 | A Data Set of 255,000 Randomly Selected and Manually Classified Extracted Ion Chromatograms for Evaluation of Peak Detection Methods |
Q91253830 | A Data-Independent Methodology for the Structural Characterization of Microcystins and Anabaenopeptins Leading to the Identification of Four New Congeners |
Q114864453 | A Multi-Label Classifier for Predicting the Most Appropriate Instrumental Method for the Analysis of Contaminants of Emerging Concern |
Q64937559 | A Suspect Screening Method for Characterizing Multiple Chemical Exposures among a Demographically Diverse Population of Pregnant Women in San Francisco. |
Q53080779 | A comparison of three liquid chromatography (LC) retention time prediction models. |
Q93074523 | A complex matrix characterization approach, applied to cigarette smoke, that integrates multiple analytical methods and compound identification strategies for non-targeted liquid chromatography with high-resolution mass spectrometry |
Q47779133 | A high-throughput solid-phase microextraction and post-loop mixing large volume injection method for water samples. |
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Q31134153 | A review of the determination of persistent organic pollutants for environmental forensics investigations. |
Q50875574 | A strategic screening approach to identify transformation products of organic micropollutants formed in natural waters. |
Q52641543 | A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry. |
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Q39490836 | A two stage algorithm for target and suspect analysis of produced water via gas chromatography coupled with high resolution time of flight mass spectrometry. |
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Q114175162 | Advances in suspect screening and non-target analysis of polar emerging contaminants in the environmental monitoring |
Q114865632 | Alternating in-source fragmentation with single-stage high-resolution mass spectrometry with high annotation confidence in non-targeted metabolomics |
Q111804069 | An annotation database for chemicals of emerging concern in exposome research |
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Q37692064 | An expanded conceptual framework for solution-focused management of chemical pollution in European waters |
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Q90654099 | Application of Nontarget High Resolution Mass Spectrometry Data to Quantitative Source Apportionment |
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Q43357299 | Assessment of N-Oxide Formation during Wastewater Ozonation. |
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Q92961342 | Assessment of gas chromatography time-of-flight mass spectrometry for the screening of semi-volatile compounds in indoor dust |
Q91337650 | Automated Isotopic Profile Deconvolution for High Resolution Mass Spectrometric Data (APGC-QToF) from Biological Matrices |
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Q104140297 | Changes in dissolved organic matter during water treatment by sequential solid-phase extraction and unknown screening analysis |
Q91597316 | Characterization of the Chemical Contents of Fluorinated and Fluorine-Free Firefighting Foams Using a Novel Workflow Combining Nontarget Screening and Total Fluorine Analysis |
Q91615707 | Characterizing biotransformation products and pathways of the flame retardant triphenyl phosphate in Daphnia magna using non-target screening |
Q125310928 | Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis |
Q105826282 | Cheminformatics in MS-based environmental exposomics: Current achievements and future directions |
Q47420831 | Chemometric and high-resolution mass spectrometry tools for the characterization and comparison of raw and treated wastewater samples of a pilot plant on the SIPIBEL site |
Q117216141 | Combined Experimental and Computational Study on the Transformation of a Novel 1,3,4-Oxadiazole Thioether Nematicide in Aqueous Solutions |
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Q91999160 | Comparison of Software Tools for Liquid Chromatography-High-Resolution Mass Spectrometry Data Processing in Nontarget Screening of Environmental Samples |
Q63351792 | Comparison of different types of landfill leachate treatments by employment of nontarget screening to identify residual refractory organics and principal component analysis |
Q104491952 | Comparison of pre-concentration methods for non-targeted analysis of natural waters using HPLC-HRMS: Large volume injection versus solid phase extraction |
Q92639497 | Compositional space: A guide for environmental chemists on the identification of persistent and bioaccumulative organics using mass spectrometry |
Q39521027 | Comprehensive Emerging Chemical Discovery: Novel Polyfluorinated Compounds in Lake Michigan Trout |
Q50791076 | Comprehensive composition of Creosote using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC-TOFMS). |
Q104500494 | Comprehensive detection of nitrated aromatic compounds in fine particulate matter using gas chromatography and tandem mass spectrometry coupled with an electron capture negative ionization source |
Q114132908 | Comprehensive non-target screening of biomagnifying organic contaminants in the Baltic Sea food web |
Q91881378 | Connecting environmental exposure and neurodegeneration using cheminformatics and high resolution mass spectrometry: potential and challenges |
Q60367109 | Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways |
Q90077969 | Controlling micropollutants in tertiary municipal wastewater by O3/H2O2, granular biofiltration and UV254/H2O2 for potable reuse applications |
Q28079837 | Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems |
Q36410928 | Current applications of high-resolution mass spectrometry for the analysis of new psychoactive substances: a critical review. |
Q114863475 | Current status of non-targeted liquid chromatography-tandem mass spectrometry in forensic toxicology |
Q106714802 | CyanoMetDB, a comprehensive public database of secondary metabolites from cyanobacteria |
Q56705218 | Dark matter in host-microbiome metabolomics: Tackling the unknowns–A review |
Q114657557 | Data processing strategies for non-targeted analysis of foods using liquid chromatography/high-resolution mass spectrometry |
Q38921721 | Deployment-Associated Exposure Surveillance With High-Resolution Metabolomics |
Q90565309 | Derivatization for Nontargeted Screening of Acids in Oilfield Refinery Wastewater: Identification and Behaviors of Recalcitrant Chlorinated Naphthenic Acids |
Q59279263 | Development and application of retention time prediction models in the suspect and non-target screening of emerging contaminants |
Q114692896 | Development of a scoring parameter to characterize data quality of centroids in high-resolution mass spectra |
Q114129364 | Development of quantitative structure-retention relationship models to improve the identification of leachables in food packaging using non-targeted analysis |
Q125741439 | Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches |
Q104106073 | Distribution and degradation trend of micropollutants in a surface flow treatment wetland revealed by 3D numerical modelling combined with LC-MS/MS |
Q90295579 | EPA's non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings |
Q114868042 | Edible insects in the metabolomics era. First steps towards the implementation of entometabolomics in food systems |
Q96693443 | Effect-based identification of hazardous antibiotic transformation products after water chlorination |
Q30315770 | Effect-directed analysis supporting monitoring of aquatic environments--An in-depth overview |
Q90224144 | Electrospray ionization-ion mobility spectrometry-high resolution tandem mass spectrometry with collision-induced charge stripping for the analysis of highly multiply charged intact polymers |
Q52641403 | Emerging pollutants in the EU: 10 years of NORMAN in support of environmental policies and regulations. |
Q105826208 | Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag |
Q42807516 | Environmental Chemicals Modulate Polar Bear (Ursus maritimus) Peroxisome Proliferator-Activated Receptor Gamma (PPARG) and Adipogenesis in Vitro |
Q47799682 | Environmental Nuclear Magnetic Resonance Spectroscopy: An Overview and a Primer |
Q105264605 | Establish data infrastructure to compile and exchange environmental screening data on a European scale |
Q38669260 | European demonstration program on the effect-based and chemical identification and monitoring of organic pollutants in European surface waters |
Q40351637 | Evaluating a Tap Water Contamination Incident Attributed to Oil Contamination by Nontargeted Screening Strategies |
Q90885667 | Evaluation of a data-processing method for target and non-target screening using comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry for environmental samples |
Q55397101 | Evaluation of the impact of construction products on the environment by leaching of possibly hazardous substances. |
Q38557893 | Expanded Target-Chemical Analysis Reveals Extensive Mixed-Organic-Contaminant Exposure in U.S. Streams |
Q93143207 | Expanding phytoremediation to the realms of known and unknown organic chemicals of concern |
Q56986687 | Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass Spectrometry |
Q47345983 | Exploring the chemistry of complex samples by tentative identification and semi-quantification: a food contact material case |
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Q35791860 | Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS. |
Q58739043 | Extended Targeted and Non-Targeted Strategies for the Analysis of Marine Toxins in Mussels and Oysters by (LC-HRMS) |
Q91338954 | Extended suspect screening strategy to identify characteristic toxicants in the discharge of a chemical industrial park based on toxicity to Daphnia magna |
Q93348309 | Fall Creek Monitoring Station: Highly Resolved Temporal Sampling to Prioritize the Identification of Nontarget Micropollutants in a Small Stream |
Q112608864 | Feature-based molecular networking for identification of organic micropollutants including metabolites by non-target analysis applied to riverbank filtration |
Q92717069 | Formation of Brominated Organic Compounds and Molecular Transformations in Dissolved Organic Matter (DOM) after Ballast Water Treatment with Sodium Dichloroisocyanurate Dihydrate (DICD) |
Q117938049 | Framework for nontargeted investigation of contaminants released by wildfires into stormwater runoff: Case study in the northern San Francisco Bay area |
Q104570846 | GC-HRMS with Complementary Ionization Techniques for Target and Non-target Screening for Chemical Exposure: Expanding the Insights of the Air Pollution Markers in Moscow Snow |
Q39472112 | General strategies to increase the repeatability in non-target screening by liquid chromatography-high resolution mass spectrometry |
Q40380218 | Halogenated methanesulfonic acids: A new class of organic micropollutants in the water cycle |
Q114867588 | High resolution mass spectrometry-based non-target screening can support regulatory environmental monitoring and chemicals management |
Q105264606 | High-resolution mass spectrometry to complement monitoring and track emerging chemicals and pollution trends in European water resources |
Q51541435 | High-resolution mass spectrometry: basic principles for using exact mass and mass defect for discovery analysis of organic molecules in blood, breath, urine and environmental media. |
Q60135186 | High-throughput evaluation of organic contaminant removal efficiency in a wastewater treatment plant using direct injection UHPLC-Orbitrap-MS/MS |
Q92075763 | HighResNPS.com: An Online Crowd-Sourced HR-MS Database for Suspect and Non-targeted Screening of New Psychoactive Substances |
Q50044751 | Household Dust as a Repository of Chemical Accumulation: New Insights from a Comprehensive High-Resolution Mass Spectrometric Study. |
Q47740107 | How to Adapt Chemical Risk Assessment for Unconventional Hydrocarbon Extraction Related to the Water System |
Q62833195 | ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries |
Q114665681 | Identification of AhR agonists in sediments of the Bohai and Yellow Seas using advanced effect-directed analysis and in silico prediction |
Q48944213 | Identification of Novel Perfluoroalkyl Ether Carboxylic Acids (PFECAs) and Sulfonic Acids (PFESAs) in Natural Waters Using Accurate Mass Time-of-Flight Mass Spectrometry (TOFMS). |
Q63349825 | Identification of Per- and Polyfluoroalkyl Substances in the Cape Fear River by High Resolution Mass Spectrometry and Nontargeted Screening |
Q96427305 | Identification of acetylcholinesterase inhibitors in water by combining two-dimensional thin-layer chromatography and high-resolution mass spectrometry |
Q88909080 | Identification of algal growth inhibitors in treated waste water using effect-directed analysis based on non-target screening techniques |
Q97690518 | Identification of chemicals in a polyvinyl chloride/polyethylene multilayer film by ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry and their migration into solution |
Q29994570 | Identification of small molecules using accurate mass MS/MS search |
Q39093300 | Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard |
Q93154588 | Implementation of Chemometric Tools To Improve Data Mining and Prioritization in LC-HRMS for Nontarget Screening of Organic Micropollutants in Complex Water Matrixes |
Q102150620 | Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation |
Q114868819 | In Silico Collision Cross Section Calculations to Aid Metabolite Annotation |
Q39030354 | Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go? |
Q36233800 | LC- and GC-QTOF-MS as Complementary Tools for a Comprehensive Micropollutant Analysis in Aquatic Systems |
Q47427620 | LC-HRMS Data Processing Strategy for Reliable Sample Comparison Exemplified by the Assessment of Water Treatment Processes. |
Q98283125 | Large scale micropollutants and lipids screening in the sludge layers and the ecosystem of a vertical flow constructed wetland |
Q92889132 | Learning from the past and considering the future of chemicals in the environment |
Q91881123 | Letter to the Editor: Optimism for Nontarget Analysis in Environmental Chemistry |
Q39407589 | Life cycle management of analytical methods |
Q43421131 | Linking in Vitro Effects and Detected Organic Micropollutants in Surface Water Using Mixture-Toxicity Modeling |
Q38787981 | Liquid chromatography-high resolution mass spectrometric methods for the surveillance monitoring of cyanotoxins in freshwaters. |
Q97569085 | Liquid chromatography-ion mobility-high resolution mass spectrometry for analysis of pollutants in indoor dust: Identification and predictive capabilities |
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Q90965050 | Machine learning combined with non-targeted LC-HRMS analysis for a risk warning system of chemical hazards in drinking water: A proof of concept |
Q91057036 | Major AhR-active chemicals in sediments of Lake Sihwa, South Korea: Application of effect-directed analysis combined with full-scan screening analysis |
Q30244453 | Mass spectrometric strategies for the investigation of biomarkers of illicit drug use in wastewater |
Q27702197 | MetFrag relaunched: incorporating strategies beyond in silico fragmentation |
Q89348920 | Metabolic Demethylation and Oxidation of Caffeine during Uptake by Lettuce |
Q92050464 | Metoprolol and metoprolol acid degradation in UV/H2O2 treated wastewaters: An integrated screening approach for the identification of hazardous transformation products |
Q90995495 | Modeling Dispersal of UV Filters in Estuaries |
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Q114653365 | Multilaboratory Collaborative Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Liquid Chromatography-High-Resolution Accurate Mass Spectrometry for Pesticide Screening in Fruits and Vegetables |
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Q93382482 | Multiresidue analytical method for the determination of 41 multiclass organic pollutants in mussel and fish tissues and biofluids by liquid chromatography coupled to tandem mass spectrometry |
Q81825151 | 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 |
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Q98950668 | New extraction method prior to screening of organic micropollutants in various biota matrices using liquid chromatography coupled to high-resolution time-of-flight mass spectrometry |
Q92063924 | Newly Identified AhR-Active Compounds in the Sediments of an Industrial Area Using Effect-Directed Analysis |
Q104788366 | Non-target environmental analysis by liquid chromatography/high-resolution mass spectrometry with a product ion and neutral loss database |
Q100731914 | Non-target profiling of bitumen-influenced waters for the identification of tracers unique to oil sands processed-affected water (OSPW) in the Athabasca watershed of Alberta, Canada |
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Q47709709 | Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go? |
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Q91552076 | Optimized chemical coverage and data quality for non-targeted screening applications using liquid chromatography/high-resolution mass spectrometry |
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Q114864324 | Quantum Chemistry Calculations for Metabolomics |
Q52666548 | Quaternary (triphenyl-) phosphonium compounds: Environmental behavior and toxicity. |
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Q100569924 | Rapid determination of pharmaceuticals in wastewater by direct infusion HRMS using target and suspect screening analysis |
Q56392055 | Rapid experimental measurements of physicochemical properties to inform models and testing |
Q36377086 | Rapid screening and identification of chemical hazards in surface and drinking water using high resolution mass spectrometry and a case-control filter. |
Q105264614 | Recent analytical methods for risk assessment of emerging contaminants in ecosystems |
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