Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

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Items 101–200 of 1,007

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7. Probing the chemical complexity of tires: Identification of potential tire-borne water contaminants with high-resolution mass spectrometry
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8. Systematic Exploration of Biotransformation Reactions of Amine-Containing Micropollutants in Activated Sludge
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10. Nontargeted Analysis Study Reporting Tool: A Framework to Improve Research Transparency and Reproducibility
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11. Discovery of a Novel Polyfluoroalkyl Benzenesulfonic Acid around Oilfields in Northern China
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12. Pharmaceuticals in the marine environment: What are the present challenges in their monitoring?
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13. Novel Fluoroalkylated Surfactants in Soils Following Firefighting Foam Deployment During the Lac-Mégantic Railway Accident
    Mejia-Avendaño, Sandra, Munoz, Gabriel, Vo Duy, Sung, Desrosiers, Mélanie, Benoı̂t, Paul, Sauvé, Sébastien, Liu, Jinxia · 2017 · Environmental Science & Technology
14. Prioritizing Unknown Transformation Products from Biologically-Treated Wastewater Using High-Resolution Mass Spectrometry, Multivariate Statistics, and Metabolic Logic
    Jennifer E. Schollée, Emma Schymanski, Sven E. Avak, Martin Loos, Juliane Hollender · 2015 · Analytical Chemistry
15. Dark matter in host-microbiome metabolomics: Tackling the unknowns–A review
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16. More Than a First Flush: Urban Creek Storm Hydrographs Demonstrate Broad Contaminant Pollutographs
    Peter, Katherine T., Hou, Fan, Tian, Zhenyu, Wu, Christopher, Goehring, Matt, Liu, Fengmao, Kolodziej, Edward P. · 2020 · Environmental Science & Technology
17. Identification and Fate of Aqueous Film Forming Foam Derived Per- and Polyfluoroalkyl Substances in a Wastewater Treatment Plant
    Houtz, Erika, Wang, Miaomiao, Park, June-Soo · 2018 · Environmental Science & Technology
18. Non-Targeted Metabolomics and Associations with per- and Polyfluoroalkyl Substances (PFAS) Exposure in Humans: A Scoping Review
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19. Accurate Dereplication of Bioactive Secondary Metabolites from Marine-Derived Fungi by UHPLC-DAD-QTOFMS and a MS/HRMS Library
    Sara Kildgaard, Maria Mansson, Ina Došen, Andreas Klitgaard, Jens C. Frisvad, Thomas Ostenfeld Larsen, Kristian Fog Nielsen · 2014 · Marine Drugs
20. High-coverage metabolomics uncovers microbiota-driven biochemical landscape of interorgan transport and gut-brain communication in mice
    Yunjia Lai, Chih‐Wei Liu, Yifei Yang, Yun-Chung Hsiao, Hongyu Ru, Kun Lü · 2021 · Nature Communications
21. Human metabolome variation along the upper intestinal tract
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22. Microbial Defluorination of Unsaturated Per- and Polyfluorinated Carboxylic Acids under Anaerobic and Aerobic Conditions: A Structure Specificity Study
    Yu, Yaochun, Che, Shun, Ren, Changxu, Jin, Bosen, Tian, Zhenyu, Liu, Jinyong, Men, Yujie · 2022 · Environmental Science & Technology
23. Mass Balance of Emerging Contaminants in the Water Cycle of a Highly Urbanized and Industrialized Area of Italy
    Castiglioni, Sara, Davoli, Enrico, Riva, Francesco, Palmiotto, Marinella, Camporini, Paolo, Manenti, Angela, Zuccato, Ettore · 2018 · Water Research
24. Transplacental Transfer of Per- and Polyfluoroalkyl Substances Identified in Paired Maternal and Cord Sera Using Suspect and Nontarget Screening
    Yuqian Li, Nanyang Yu, Letian Du, Wei Feng Shi, Hongxia Yu, Maoyong Song, Si Wei · 2020 · Environmental Science & Technology
25. Centurial Persistence of Forever Chemicals at Military Fire Training Sites
    Ruyle, Bridger J., Thackray, Colin P., Butt, Craig M., LeBlanc, Denis R., Tokranov, Andrea K., Vecitis, Chad D., Sunderland, Elsie M. · 2023 · Environmental Science & Technology
26. Suspect screening and non-targeted analysis of drinking water using point-of-use filters
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27. Systematic evidence on migrating and extractable food contact chemicals: Most chemicals detected in food contact materials are not listed for use
    Birgit Geueke, Ksenia J. Groh, Maricel V. Maffini, Olwenn Martin, Justin M. Boucher, Yu-Ting Tiffany Chiang, Frank Gwosdz, Phoenix Jieh, Christopher Dennis Kassotis, Paulina Łańska et al. · 2022 · Critical Reviews in Food Science and Nutrition
28. Suspect and non-target screening: the last frontier in environmental analysis
    Belén González-Gaya, Naroa Lopez-Herguedas, D. Bilbao, Leire Mijangos, Iker Alvarez-Mora, Néstor Etxebarría, Mireia Irazola, Ailette Prieto, Maitane Olivares, Olatz Zuloaga · 2021 · Analytical Methods
29. Filling the knowledge gap: A suspect screening study for 1310 potentially persistent and mobile chemicals with SFC- and HILIC-HRMS in two German river systems
    Isabelle J. Neuwald, Matthias Muschket, Daniel Zahn, Urs Berger, Bettina Seiwert, Till Meier, Jochen Kuckelkorn, Claudia Strobel, Thomas P. Knepper, Thorsten Reemtsma · 2021 · Water Research
30. Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS
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31. Advances in liquid chromatography–high-resolution mass spectrometry for quantitative and qualitative environmental analysis
    Jaume Aceña, Serena Stampachiacchiere, Sandra Pérez, ‪Damià Barceló · 2015 · Analytical and Bioanalytical Chemistry
32. Fluorine Mass Balance and Suspect Screening in Marine Mammals from the Northern Hemisphere
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33. The scientific challenges in moving from targeted to non-targeted mass spectrometric methods for food fraud analysis: A proposed validation workflow to bring about a harmonized approach
    Daniele Cavanna, Laura Righetti, Christopher Trevor Elliott, Michele Suman · 2018 · Trends in Food Science & Technology
34. Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation
    Alberto Celma, Juan V. Sancho, Emma Schymanski, David Fabregat‐Safont, María Ibáñez, Jeff Goshawk, Gitte Barknowitz, Felix J. Hernández, Lubertus Bijlsma · 2020 · Environmental Science & Technology
35. Uptake, Transport, and Toxicity of Pristine and Weathered Micro- and Nanoplastics in Human Placenta Cells
    Hanna M. Dusza, Eugene A. Katrukha, Sandra M. Nijmeijer, Anna S. Akhmanova, A. Dick Vethaak, Douglas Ian Walker, Juliette Legler · 2022 · Environmental Health Perspectives
36. LC- and GC-QTOF-MS as Complementary Tools for a Comprehensive Micropollutant Analysis in Aquatic Systems
    Christoph Moschet, Bonny M. Lew, Simone Hasenbein, Tarun Anumol, Thomas M. Young · 2016 · Environmental Science & Technology
37. Hundreds of Unrecognized Halogenated Contaminants Discovered in Polar Bear Serum
    Yanna Liu, Evan S. Richardson, Andrew E. Derocher, Nicholas J. Lunn, Hans‐Joachim Lehmler, Xueshu Li, Yifeng Zhang, Julia Yue Cui, Lihua Cheng, Jonathan W. Martin · 2018 · Angewandte Chemie International Edition
38. 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
    ‪Nikiforos Alygizakis, Peter Oswald, Νikolaos S. Τhomaidis, Emma Schymanski, Reza Aalizadeh, Tobias Schulze, Martina Oswaldova, Jaroslav Slobodnı́k · 2019 · TrAC Trends in Analytical Chemistry
39. Household Dust as a Repository of Chemical Accumulation: New Insights from a Comprehensive High-Resolution Mass Spectrometric Study
    Christoph Moschet, Tarun Anumol, Bonny M. Lew, Deborah H. Bennett, Thomas M. Young · 2018 · Environmental Science & Technology
40. Guide to Semi-Quantitative Non-Targeted Screening Using LC/ESI/HRMS
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41. Per- and Polyfluoroalkyl Substances in Food Packaging: Migration, Toxicity, and Management Strategies
    Drake W. Phelps, Lindsey V. Parkinson, Justin M. Boucher, Jane Muncke, Birgit Geueke · 2024 · Environmental Science & Technology
42. Suspect Screening Analysis of Chemicals in Consumer Products
    Katherine A. Phillips, Alice Y. Yau, Kristin Herrmann Favela, Kristin Isaacs, Andrew D. McEachran, Chris Grulke, Ann M. Richard, Antony John Williams, Jon R. Sobus, Russell S. Thomas et al. · 2018 · Environmental Science & Technology
43. Target, Nontarget, and Suspect Screening and Temporal Trends of Per- and Polyfluoroalkyl Substances in Marine Mammals from the South China Sea
    Qi Wang, Yuefei Ruan, Linjie Jin, Xiao‐Hua Zhang, Jing Li, Yuhe He, Si Wei, James C.W. Lam, Paul K.S. Lam · 2021 · Environmental Science & Technology
44. High-Resolution Mass Spectrometry for Human Exposomics: Expanding Chemical Space Coverage
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45. Transformation of diclofenac in hybrid biofilm–activated sludge processes
    Kevin S. Jewell, Per Falås, Arne Wick, Adriano Joss, Thomas A. Ternes · 2016 · Water Research
46. Suspect Screening and Regulatory Databases: A Powerful Combination To Identify Emerging Micropollutants
    Pablo Gago-Ferrero, Agnes Krettek, Stellan Fischer, Karin Wiberg, Lutz Ahrens · 2018 · Environmental Science & Technology
47. LC-QTOF MS screening of more than 1,000 licit and illicit drugs and their metabolites in wastewater and surface waters from the area of Bogotá, Colombia
    Felix J. Hernández, María Ibáñez, Ana M. Botero-Coy, Richard Bade, Martha Cristina Bustos-López, Rolando Javier Rincón-Ortiz, Alejandro Moncayo‐Lasso, Lubertus Bijlsma · 2015 · Analytical and Bioanalytical Chemistry
48. Mass spectrometric strategies for the investigation of biomarkers of illicit drug use in wastewater
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49. Environmental Occurrence of Perfluoroalkyl Acids and Novel Fluorotelomer Surfactants in the Freshwater Fish Catostomus commersonii and Sediments Following Firefighting Foam Deployment at the Lac-Mégantic Railway Accident
    Gabriel Munoz, Mélanie Desrosiers, Sung Vo Duy, Pierre Labadie, Hélène Budzinski, Jinxia Liu, Sébastien Sauvé · 2017 · Environmental Science & Technology
50. Photolysis of Antibiotics under Simulated Sunlight Irradiation: Identification of Photoproducts by High-Resolution Mass Spectrometry
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51. Aerobic Soil Biodegradation of Bisphenol (BPA) Alternatives Bisphenol S and Bisphenol AF Compared to BPA
    Youn Jeong Choi, Linda Lee · 2017 · Environmental Science & Technology
52. The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques
    Paweł Rostkowski, Peter S. Haglund, Reza Aalizadeh, ‪Nikiforos Alygizakis, Νikolaos S. Τhomaidis, Joaquin Beltran Arandes, Pernilla Bohlin‐Nizzetto, Petra Booij, Hélène Budzinski, Pamela Brunswick et al. · 2019 · Analytical and Bioanalytical Chemistry
53. Wide-scope screening of polar contaminants of concern in water: A critical review of liquid chromatography-high resolution mass spectrometry-based strategies
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54. Advanced tandem mass spectrometry in metabolomics and lipidomics—methods and applications
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55. Metabolomics for personalized medicine: the input of analytical chemistry from biomarker discovery to point-of-care tests
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56. A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R
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57. Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass Spectrometry
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58. The potential of ion mobility–mass spectrometry for non-targeted metabolomics
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59. Phototransformation of Plastic Containing Brominated Flame Retardants: Enhanced Fragmentation and Release of Photoproducts to Water and Air
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60. Spectral deep learning for prediction and prospective validation of functional groups
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61. Life cycle management of analytical methods
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62. Nontargeted identification and temporal trends of per- and polyfluoroalkyl substances in a fluorochemical industrial zone and adjacent Taihu Lake
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63. High-resolution mass spectrometry to complement monitoring and track emerging chemicals and pollution trends in European water resources
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64. Comprehensive chemical characterization of indoor dust by target, suspect screening and nontarget analysis using LC-HRMS and GC-HRMS
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65. What's in the water? – Target and suspect screening of contaminants of emerging concern in raw water and drinking water from Europe and Asia
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66. FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality
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67. First insights into 6PPD-quinone formation from 6PPD photodegradation in water environment
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68. Development of suspect and non-target screening methods for detection of organic contaminants in highway runoff and fish tissue with high-resolution time-of-flight mass spectrometry
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69. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag
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70. The role of analytical chemistry in exposure science: Focus on the aquatic environment
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71. Rejection of per- and polyfluoroalkyl substances (PFASs) in aqueous film-forming foam by high-pressure membranes
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72. Functional ingredient from avocado peel: Microwave-assisted extraction, characterization and potential applications for the food industry
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73. Nontarget Screening Reveals Time Trends of Polar Micropollutants in a Riverbank Filtration System
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74. Chlorinated Byproducts of Neonicotinoids and Their Metabolites: An Unrecognized Human Exposure Potential?
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75. Identification of potentially mobile and persistent transformation products of REACH-registered chemicals and their occurrence in surface waters
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76. Per- and polyfluoralkyl substances (PFAS) in drinking water system: Target and non-target screening and removal assessment
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77. Prevalence of per- and polyfluoroalkyl substances (PFASs) in drinking and source water from two Asian countries
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78. Chromatography hyphenated to high resolution mass spectrometry in untargeted metabolomics for investigation of food (bio)markers
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79. Metabolomics and complementary techniques to investigate the plant phytochemical cosmos
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80. Nontarget Mass Spectrometry Reveals New Perfluoroalkyl Substances in Fish from the Yangtze River and Tangxun Lake, China
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81. Extensive Transformation of the Pharmaceutical Carbamazepine Following Uptake into Intact Tomato Plants
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82. Molecular characteristics of dissolved organic matter transformed by O3 and O3/H2O2 treatments and the effects on formation of unknown disinfection by-products
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83. Rapid Phytotransformation of Benzotriazole Generates Synthetic Tryptophan and Auxin Analogs in Arabidopsis
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84. PFAS Exposures and the Human Metabolome: A Systematic Review of Epidemiological Studies
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85. Review of the environmental prenatal exposome and its relationship to maternal and fetal health
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86. Evaluation of chemical and biological contaminants of emerging concern in treated wastewater intended for agricultural reuse
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87. Current status of retention time prediction in metabolite identification
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88. Identification of Novel Hydrogen-Substituted Polyfluoroalkyl Ether Sulfonates in Environmental Matrices near Metal-Plating Facilities
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89. Suspect screening of large numbers of emerging contaminants in environmental waters using artificial neural networks for chromatographic retention time prediction and high resolution mass spectrometry data analysis
    Richard Bade, Lubertus Bijlsma, Thomas H. Miller, Leon Barron, Juan V. Sancho, Felix J. Hernández · 2015 · The Science of The Total Environment
90. Data-driven prioritization of chemicals for various water types using suspect screening LC-HRMS
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91. Metabolic pathways of lung inflammation revealed by high-resolution metabolomics (HRM) of H1N1 influenza virus infection in mice
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92. Fabrication of carbon nanotube functionalized MIL-101(Fe) for enhanced visible-light photocatalysis of ciprofloxacin in aqueous solution
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93. Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition
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94. Advances in suspect screening and non-target analysis of polar emerging contaminants in the environmental monitoring
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95. Suspect and Nontarget Screening Reveal the Underestimated Risks of Antibiotic Transformation Products in Wastewater Treatment Plant Effluents
    Jingrun Hu, Yitao Lyu, Huan Chen, Si Li, Weiling Sun · 2023 · Environmental Science & Technology
96. Characterization of Carbonyl Disinfection By-Products During Ozonation, Chlorination, and Chloramination of Dissolved Organic Matters
    Xueke Liu, Ruirui Liu, Bao Li Zhu, Ting Ruan, Guibin Jiang · 2020 · Environmental Science & Technology
97. Nontargeted identification of per- and polyfluoroalkyl substances in human follicular fluid and their blood-follicle transfer
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98. A decade after the metabolomics standards initiative it's time for a revision
    Rachel Spicer, Reza M. Salek, Christoph Steinbeck · 2017 · Scientific Data
99. Untargeted metabolomics of COVID-19 patient serum reveals potential prognostic markers of both severity and outcome
    Ivayla Roberts, Marina Wright Muelas, Joseph M. Taylor, Andrew Davison, Yun Xu A, Justine M. Grixti, Nigel Gotts, Anatolii Sorokin, Royston Goodacre, Douglas Bruce Kell · 2021 · Metabolomics
100. Surfactant-sodium dodecyl sulfate enhanced degradation of polystyrene microplastics with an energy-saving electrochemical advanced oxidation process (EAOP) strategy
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