Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

Cited by (1,007)

Items 701–800 of 1,007

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2. Screening for polar lipids, antioxidant, and anti-inflammatory activities of Gloeothece sp. lipid extracts pursuing new phytochemicals from cyanobacteria
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3. Evaluation of an artificial neural network retention index model for chemical structure identification in nontargeted metabolomics
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4. Ozonation of carbamazepine and its main transformation products: product determination and reaction mechanisms
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6. Metabolomics in antimicrobial drug discovery
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7. Unravelling the occurrence of trace contaminants in surface waters using semi-quantitative suspected non-target screening analyses
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8. MS-FINDER and SIRIUS for phenolic compound identification from high-resolution mass spectrometry data
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9. Incorporating Transformation Products for an Integrated Assessment of Antibiotic Pollution and Risks in Surface Water
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10. Suspect and Nontarget Screening of Sulfonamides and Novel Transformation Products in Pharmaceutical Wastewater-Contaminated Areas: Distribution, Migration, and Environmental Risks
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11. Comprehensive polyphenol profiling of a strawberry extract (Fragaria × ananassa) by ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry
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12. Nontarget Analysis Reveals a Bacterial Metabolite of Pyrene Implicated in the Genotoxicity of Contaminated Soil after Bioremediation
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13. Assessment of protected designation of origin for Colombian coffees based on HRMS-based metabolomics
    Duvan Esteban Hoyos Ossa, Rubén Gil‐Solsona, Gustavo Antonio Peñuela, Juan V. Sancho, Felix J. Hernández · 2018 · Food Chemistry
14. Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds
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15. Metabolomics profiling of steatosis progression in HepaRG ® cells using sodium valproate
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16. Transformation of sulfamethazine during the chlorination disinfection process: Transformation, kinetics, and toxicology assessment
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17. Characterization of phosphonate-based antiscalants used in drinking water treatment plants by anion-exchange chromatography coupled to electrospray ionization time-of-flight mass spectrometry and inductively coupled plasma mass spectrometry
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18. Compositional space: A guide for environmental chemists on the identification of persistent and bioaccumulative organics using mass spectrometry
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19. 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
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20. An exploratory approach for an oriented development of an untargeted hydrophilic interaction liquid chromatography-mass spectrometry platform for polar metabolites in biological matrices
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21. From Metabolomics to HRMS-Based Exposomics: Adapting Peak Picking and Developing Scoring for MS1 Suspect Screening
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22. Large scale enzyme based xenobiotic identification for exposomics
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23. Suspect screening workflow comparison for the analysis of organic xenobiotics in environmental water samples
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24. Andean Blueberry of the Genus Disterigma: A High-Resolution Mass Spectrometric Approach for the Comprehensive Characterization of Phenolic Compounds
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25. Coupling Suspect and Nontarget Screening with Mass Balance Modeling to Characterize Organic Micropollutants in the Onondaga Lake–Three Rivers System
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26. Identification of an Analytical Method Interference for Perfluorobutanoic Acid in Biological Samples
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27. Comprehensive screening of polar emerging organic contaminants including PFASs and evaluation of the trophic transfer behavior in a freshwater food web
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28. Characterization of an AFFF impacted freshwater environment using total fluorine, extractable organofluorine and suspect per- and polyfluoroalkyl substance screening analysis
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29. A Framework for Utilizing High-Resolution Mass Spectrometry and Nontargeted Analysis in Rapid Response and Emergency Situations
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30. Systems biology elucidates the distinctive metabolic niche filled by the human gut microbe Eggerthella lenta
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31. Sample preparation strategies for mass spectrometry analysis in human exposome research: Current status and future perspectives
    Yunyun Gu, Jesse T. Peach, Benedikt Warth · 2023 · TrAC Trends in Analytical Chemistry
32. Application of Ion Mobility Spectrometry and the Derived Collision Cross Section in the Analysis of Environmental Organic Micropollutants
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33. Suspect, Nontarget Screening, and Toxicity Prediction of Per- and Polyfluoroalkyl Substances in the Landfill Leachate
    Chao Feng, Yuanjie Lin, Sunyang Le, Jieyun Ji, Yuhang Chen, Guoquan Wang, Ping Xiao, Yunfeng Zhao, Dasheng Lu · 2024 · Environmental Science & Technology
34. Bioaccumulation of Perfluoroalkyl Sulfonamides (FASA)
    Heidi M. Pickard, Faiz Haque, Elsie M. Sunderland · 2024 · Environmental Science & Technology Letters
35. Integration of Nontarget Screening and QSPR Models to Identify Novel Organophosphate Esters of High Priority in Aquatic Environment
    Ying Zhang, Zixuan Lv, Xiao-Yong Yu, Yanfeng Zhang, Lingyan Y. Zhu · 2024 · Environmental Science & Technology
36. Identification of non-regulated polycyclic aromatic compounds and other markers of urban pollution in road tunnel particulate matter
    Merete Grung, Alfhild Kringstad, Kine Bæk, Ian John Allan, Kevin Victor Thomas, Sondre Meland, Sissel Brit Ranneklev · 2016 · Journal of Hazardous Materials
37. Optimization of LC-Orbitrap-HRMS acquisition and MZmine 2 data processing for nontarget screening of environmental samples using design of experiments
    Meng Hu, Martin Krayer Von Krauss, Werner Brack, Tobias Schulze · 2016 · Analytical and Bioanalytical Chemistry
38. Wastewater-based epidemiology generated forensic information: Amphetamine synthesis waste and its impact on a small sewage treatment plant
    Erik Emke, Dennis Vughs, Annemieke Kolkman, Pim de Voogt · 2018 · Forensic Science International
39. Wide-Scope Determination of Pharmaceuticals and Pesticides in Water Samples: Qualitative and Confirmatory Screening Method Using LC-qTOF-MS
    Juliana Bazzan Arsand, Rodrigo Barcellos Hoff, Louíse Jank, Alexsandro Dallegrave, Carolina Faganello Galeazzi, Fabiano Barreto, Tânia Mara Pizzolato · 2018 · Water Air & Soil Pollution
40. Identification of transformation products of carbamazepine in lettuce crops irrigated with Ultraviolet-C treated water
    Ana Belén Martínez-Piernas, Samira Nahim–Granados, María Inmaculada Polo-López, Pilar Fernández‐Ibañez, Sapia Murgolo, Giuseppe Mascolo, Ana Agüera · 2019 · Environmental Pollution
41. Evaluation of anti-platelet activity of grape pomace extracts
    Maria Choleva, Vassiliki Boulougouri, Anthi Panara, Eirini A. Panagopoulou, Antonia Chiou, Νikolaos S. Τhomaidis, Smaragdi Antonopoulou, Elizabeth Fragopoulou · 2019 · Food & Function
42. A high-throughput method for dereplication and assessment of metabolite distribution in Salvia species using LC-MS/MS
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43. In-Depth Cannabis Multiclass Metabolite Profiling Using Sorptive Extraction and Multidimensional Gas Chromatography with Low- and High-Resolution Mass Spectrometry
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44. Organic micropollutant removal in full-scale rapid sand filters used for drinking water treatment in The Netherlands and Belgium
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45. Metabolomic profiling and comparison of major cinnamon species using UHPLC–HRMS
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46. Metabolomic Associations with Serum Bone Turnover Markers
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47. A step forward in the detection of byproducts of anthropogenic organic micropollutants in chlorinated water
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48. Metabolome Wide Association Study of Serum Poly and Perfluoroalkyl Substances (PFASs) in Pregnancy and Early Postpartum
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49. Plant Uptake and Metabolism of 2,4-Dibromophenol in Carrot: In Vitro Enzymatic Direct Conjugation
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50. Suspect and non-target screening of chemicals in clothing textiles by reversed-phase liquid chromatography/hybrid quadrupole-Orbitrap mass spectrometry
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51. Critical assessment of the Kendrick mass defect analysis as an innovative approach to process high resolution mass spectrometry data for environmental applications
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52. Targeted and untargeted metabolomics reveals deep analysis of drought stress responses in needles and roots of Pinus taeda seedlings
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53. Fragmentation Pattern-Based Screening Strategy Combining Diagnostic Ion and Neutral Loss Uncovered Novel para-Phenylenediamine Quinone Contaminants in the Environment
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54. Introducing “Identification Probability” for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies
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55. Suspect screening of emerging pollutants and their major transformation products in wastewaters treated with fungi by liquid chromatography coupled to a high resolution mass spectrometry
    Marta Llorca, Daniel Lucas, Laura Ferrando‐Climent, Marina Badia-Fabregat, Carles Cruz-Morató, ‪Damià Barceló, Sara Rodríguez‐Mozaz · 2015 · Journal of Chromatography A
56. Suspect screening analysis of the occurrence and removal of micropollutants by GC-QTOF MS during wastewater treatment processes
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57. Comprehensive analysis of chestnut tannins by reversed phase and hydrophilic interaction chromatography coupled to ion mobility and high resolution mass spectrometry
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58. Enhanced ozonation of ciprofloxacin in the presence of bromide: Kinetics, products, pathways, and toxicity
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59. UPLC-MS/MS-based molecular networking and NMR structural determination for the untargeted phytochemical characterization of the fruit of Crescentia cujete (Bignoniaceae)
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60. Developments and pitfalls in the characterization of phenolic compounds in food: From targeted analysis to metabolomics-based approaches
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64. Metabolomics activity screening of T cell–induced colitis reveals anti-inflammatory metabolites
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65. Comprehensively screening of citric acid ester (CAE) plasticizers in Chinese foodstuffs, and the food-based assessment of human exposure risk of CAEs
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67. Suspect and non-targeted screening-based human biomonitoring identified 74 biomarkers of exposure in urine of Slovenian children
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68. A pilot study on extractable organofluorine and per- and polyfluoroalkyl substances (PFAS) in water from drinking water treatment plants around Taihu Lake, China: what is missed by target PFAS analysis?
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69. Use of high-resolution metabolomics to assess the biological perturbations associated with maternal exposure to Bisphenol A and Bisphenol F among pregnant African American women
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70. Effects of partial or complete replacement of soybean meal with commercial black soldier fly larvae (Hermetia illucens) meal on growth performance, cecal short chain fatty acids, and excreta metabolome of broiler chickens
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72. Substantial halogenated organic chemicals stored in permafrost soils on the Tibetan Plateau
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73. An Integrated Workflow Assisted by In Silico Predictions To Expand the List of Priority Polycyclic Aromatic Compounds
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74. Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and polyfluoroalkyl substances
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84. Metoprolol and metoprolol acid degradation in UV/H2O2 treated wastewaters: An integrated screening approach for the identification of hazardous transformation products
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85. Understanding mixed environmental exposures using metabolomics via a hierarchical community network model in a cohort of California women in 1960’s
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86. Artificial Sweeteners in Pig Feed: A Worldwide Survey and Case Study in Pig Farms in Tianjin, China
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87. Mass spectral similarity mapping applied to fentanyl analogs
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88. Examining NTA performance and potential using fortified and reference house dust as part of EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT)
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91. Target, suspect and non-target screening analysis from wastewater treatment plant effluents to drinking water using collision cross section values as additional identification criterion
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92. A strategy to determine the fate of active chemical compounds in soil; applied to antimicrobially active substances
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93. Trace Organic Contaminant Transfer and Transformation in Bioretention Cells: A Field Tracer Test with Benzotriazole
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95. Combining Passive Sampling with Suspect and Nontarget Screening to Characterize Organic Micropollutants in Streams Draining Mixed-Use Watersheds
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97. Microwave-Assisted Extraction of Bioactive Compounds from Lentil Wastes: Antioxidant Activity Evaluation and Metabolomic Characterization
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98. Mass spectrometry-based metabolomics for clinical study: Recent progresses and applications
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99. Comprehensive micropollutant characterization of wastewater during Covid-19 crisis in 2020: Suspect screening and environmental risk prioritization strategy
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100. A comprehensive analytical framework integrating liquid chromatography-tandem mass spectrometry metabolomics with chemometrics for metabolite profiling of lettuce varieties and discovery of antibacterial agents
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