Towards a harmonized identification scoring system in LC-HRMS/MS based non-target screening (NTS) of emerging contaminants

Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

Schymanski, E. L., Jeon, J., Gulde, R., Fenner, K., Ruff, M., Singer, H. P., & Hollender, J. (2014) · Environmental Science & Technology · doi:10.1021/es5002105 · Cited by 4,519 · see citing works

Gas‐chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone

Kováts, E. S. (1958) · Helvetica Chimica Acta · doi:10.1002/hlca.19580410703 · Cited by 2,184 · see citing works

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

Dührkop, K., Fleischauer, M., Ludwig, M., Aksenov, A. A., Melnik, A. V., Meusel, M., Dorrestein, P. C., Rousu, J., & Böcker, S. (2019) · Nature Methods · doi:10.1038/s41592-019-0344-8 · Cited by 2,088 · see citing works

Highly sensitive feature detection for high resolution LC/MS

Tautenhahn, R., Böttcher, C., & Neumann, S. (2008) · BMC Bioinformatics · doi:10.1186/1471-2105-9-504 · Cited by 1,175 · see citing works

Toward a global understanding of chemical pollution: a first comprehensive analysis of national and regional chemical inventories

Wang, Z., Walker, G. W., Muir, D. C. G., & Nagatani-Yoshida, K. (2020) · Environmental Science & Technology · doi:10.1021/acs.est.9b06379 · Cited by 1,084 · see citing works

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

Ruttkies, C., Schymanski, E., Wolf, S., Hollender, J., & Neumann, S. (2016) · Journal of Cheminformatics · doi:10.1186/s13321-016-0115-9 · Cited by 1,063 · see citing works

Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go?

Hollender, J., Schymanski, E., Singer, H., & Ferguson, P. L. (2017) · Environmental Science & Technology · doi:10.1021/acs.est.7b02184 · Cited by 743 · see citing works

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

Schymanski, E., Singer, H., Slobodnı́k, J., Ipolyi, I. M., Oswald, P., Krauss, M. K. V., Schulze, T., Haglund, P. S., Letzel, T., Grosse, S., et al. (2015) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-015-8681-7 · Cited by 709 · see citing works

CFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification

Wang, F., Liigand, J., Tian, S., Arndt, D., Greiner, R., & Wishart, D. S. (2021) · Analytical Chemistry · doi:10.1021/acs.analchem.1c01465 · Cited by 412 · see citing works

IPO: a tool for automated optimization of XCMS parameters

Libiseller, G., Dvorzak, M., Kleb, U., Gander, E., Eisenberg, T., Madeo, F., Neumann, S., Trausinger, G., Sinner, F. M., Pieber, T. R., et al. (2015) · BMC Bioinformatics · doi:10.1186/s12859-015-0562-8 · Cited by 343 · see citing works

Communicating Confidence of Per- and Polyfluoroalkyl Substance Identification via High-Resolution Mass Spectrometry

Charbonnet, J. A., McDonough, C. A., Xiao, F., Schwichtenberg, T., Cao, D., Kaserzon, S., Thomas, K. V., Dewapriya, P., Place, B. J., Schymanski, E., et al. (2022) · Environmental Science & Technology Letters · doi:10.1021/acs.estlett.2c00206 · Cited by 280 · see citing works

RAMClust: A Novel Feature Clustering Method Enables Spectral-Matching-Based Annotation for Metabolomics Data

Broeckling, C. D., Afsar, F. A., Neumann, S., Ben-Hur, A., & Prenni, J. E. (2014) · Analytical Chemistry · doi:10.1021/ac501530d · Cited by 262 · see citing works

Wide-scope target screening of >2000 emerging contaminants in wastewater samples with UPLC-Q-ToF-HRMS/MS and smart evaluation of its performance through the validation of 195 selected representative analytes

Gago-Ferrero, P., Bletsou, A. A., Damalas, D. E., Aalizadeh, R., Alygizakis, N. A., Singer, H. P., Hollender, J., & Thomaidis, N. S. (2020) · Journal of Hazardous Materials · doi:10.1016/j.jhazmat.2019.121712 · Cited by 254 · see citing works

Suspect and non-targeted screening of chemicals of emerging concern for human biomonitoring, environmental health studies and support to risk assessment: From promises to challenges and harmonisation issues

Pourchet, M., Debrauwer, L., Klánová, J., Price, E. J., Covaci, A., Caballero‐Casero, N., Oberacher, H., Lamoree, M. H., Damont, A., Fenaille, F., et al. (2020) · Environment International · doi:10.1016/j.envint.2020.105545 · Cited by 245 · see citing works

New relevant pesticide transformation products in groundwater detected using target and suspect screening for agricultural and urban micropollutants with LC-HRMS

Kiefer, K., Müller, A., Singer, H., & Hollender, J. (2019) · Water Research · doi:10.1016/j.watres.2019.114972 · Cited by 228 · see citing works

High resolution mass spectrometry-based non-target screening can support regulatory environmental monitoring and chemicals management

Hollender, J., van Bavel, B., Dulio, V., Farmen, E., Furtmann, K., Koschorreck, J., Kunkel, U., Krauss, M. K. V., Munthe, J., Schlabach, M., et al. (2019) · Environmental Sciences Europe · doi:10.1186/s12302-019-0225-x · Cited by 219 · see citing works

patRoon: open source software platform for environmental mass spectrometry based non-target screening

Helmus, R., ter Laak, T. L., van Wezel, A. P., de Voogt, P., & Schymanski, E. (2021) · Journal of Cheminformatics · doi:10.1186/s13321-020-00477-w · Cited by 215 · see citing works

Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening

Aalizadeh, R., Alygizakis, ‪., Schymanski, E., Krauss, M. K. V., Schulze, T., Ibáñez, M., McEachran, A. D., Chao, A., Williams, A. J., Gago-Ferrero, P., et al. (2021) · Analytical Chemistry · doi:10.1021/acs.analchem.1c02348 · Cited by 162 · see citing works

Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections

Ross, D. H., Cho, J. H., & Xu, L. (2020) · Analytical Chemistry · doi:10.1021/acs.analchem.9b05772 · Cited by 154 · see citing works

A risk based assessment approach for chemical mixtures from wastewater treatment plant effluents

Finckh, S., Beckers, L., Busch, W., Carmona, E., Dulio, V., Kramer, L., Krauss, M. K. V., Posthuma, L., Schulze, T., Slootweg, J., et al. (2022) · Environment International · doi:10.1016/j.envint.2022.107234 · Cited by 139 · see citing works

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

Alygizakis, ‪., Oswald, P., Τhomaidis, Ν. S., Schymanski, E., Aalizadeh, R., Schulze, T., Oswaldova, M., & Slobodnı́k, J. (2019) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2019.04.008 · Cited by 134 · see citing works

Suspect Screening and Regulatory Databases: A Powerful Combination To Identify Emerging Micropollutants

Gago-Ferrero, P., Krettek, A., Fischer, S., Wiberg, K., & Ahrens, L. (2018) · Environmental Science & Technology · doi:10.1021/acs.est.7b06598 · Cited by 128 · see citing works

Wide-scope screening of polar contaminants of concern in water: A critical review of liquid chromatography-high resolution mass spectrometry-based strategies

Menger, F., Gago-Ferrero, P., Wiberg, K., & Ahrens, L. (2020) · Trends in Environmental Analytical Chemistry · doi:10.1016/j.teac.2020.e00102 · Cited by 127 · see citing works

The strength in numbers: comprehensive characterization of house dust using complementary mass spectrometric techniques

Rostkowski, P., Haglund, P. S., Aalizadeh, R., Alygizakis, ‪., Τhomaidis, Ν. S., Arandes, J. B., Bohlin‐Nizzetto, P., Booij, P., Budzinski, H., Brunswick, P., et al. (2019) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-019-01615-6 · Cited by 127 · see citing works

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

Bade, R., Bijlsma, L., Miller, T. H., Barron, L., Sancho, J. V., & Hernández, F. J. (2015) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2015.08.078 · Cited by 113 · see citing works

Occurrence and potential environmental risk of surfactants and their transformation products discharged by wastewater treatment plants

Freeling, F., Alygizakis, ‪., von der Ohe, P. C., Slobodnı́k, J., Oswald, P., Aalizadeh, R., Čirka, Ľ., Τhomaidis, Ν. S., & Scheurer, M. (2019) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2019.04.445 · Cited by 96 · see citing works

Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa

Ridder, L., van der Hooft, J. J. J., & Verhoeven, S. (2014) · Mass Spectrometry · doi:10.5702/massspectrometry.s0033 · Cited by 95 · see citing works

Towards harmonised criteria in quality assurance and quality control of suspect and non-target LC-HRMS analytical workflows for screening of emerging contaminants in human biomonitoring

Caballero‐Casero, N., Belova, L., Vervliet, P., Antignac, J., Castaño, A., Debrauwer, L., Esteban, M., Huber, C. E., Klánová, J., Krauss, M. K. V., et al. (2021) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2021.116201 · Cited by 82 · see citing works

Non-target, suspect and target screening of chemicals of emerging concern in landfill leachates and groundwater in Guangzhou, South China

Han, Y., Hu, L., Liu, T., Liu, J., Wang, Y., Zhao, J., Liu, Y., Zhao, J., & Ying, G. (2022) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2022.155705 · Cited by 50 · see citing works

Evaluation and application of machine learning-based retention time prediction for suspect screening of pesticides and pesticide transformation products in LC-HRMS

Feng, C., Xu, Q., Qiu, X., Jin, Y., Ji, J., Lin, Y., Le, S., She, J., Lu, D., & Wang, G. (2020) · Chemosphere · doi:10.1016/j.chemosphere.2020.129447 · Cited by 48 · see citing works

Development of a single retention time prediction model integrating multiple liquid chromatography systems: Application to new psychoactive substances

Pasin, D., Mollerup, C. B., Rasmussen, B. S., Línnet, K., & Dalsgaard, P. W. (2021) · Analytica Chimica Acta · doi:10.1016/j.aca.2021.339035 · Cited by 45 · see citing works

The relevant role of ion mobility separation in LC-HRMS based screening strategies for contaminants of emerging concern in the aquatic environment

Celma, A., Ahrens, L., Gago-Ferrero, P., Hernández, F. J., López, F. J., Lundqvist, J., Pitarch, E., Sancho, J. V., Wiberg, K., & Bijlsma, L. (2021) · Chemosphere · doi:10.1016/j.chemosphere.2021.130799 · Cited by 44 · see citing works

Suspect screening workflow comparison for the analysis of organic xenobiotics in environmental water samples

González-Gaya, B., Lopez-Herguedas, N., Santamaria, A., Mijangos, F., Etxebarría, N., Olivares, M., Prieto, A., & Zuloaga, O. (2021) · Chemosphere · doi:10.1016/j.chemosphere.2021.129964 · Cited by 41 · see citing works

The Potential of Sewage Sludge to Predict and Evaluate the Human Chemical Exposome

Gil‐Solsona, R., Nika, M., Bustamante, M., Villanueva, C. M., Foraster, M., Cosín‐Tomás, M., Alygizakis, ‪., Gómez‐Roig, M. D., Llurba, E., Sunyer, J., et al. (2021) · Environmental Science & Technology Letters · doi:10.1021/acs.estlett.1c00848 · Cited by 37 · see citing works

Small Molecule Identification with MOLGEN and Mass Spectrometry

Meringer, M., & Schymanski, E. (2013) · Metabolites · doi:10.3390/metabo3020440 · Cited by 36 · see citing works

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

Samanipour, S., Baz‐Lomba, J. A., Alygizakis, N. A., Reid, M. J., Τhomaidis, Ν. S., & Thomas, K. V. (2017) · Journal of Chromatography A · doi:10.1016/j.chroma.2017.04.040 · Cited by 26 · see citing works

HRMS screening of organophosphate flame retardants and poly-/perfluorinated substances in dust from cars and trucks: Occurrence and human exposure implications

Petromelidou, S., Margaritis, D., Nannou, C. I., Keramydas, C., & Lambropoulou, D. A. (2022) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2022.157696 · Cited by 22 · see citing works

A protocol for wide-scope non-target analysis of contaminants in small amounts of biota using bead beating tissuelyser extraction and LC-HRMS

Gil‐Solsona, R., Rodríguez‐Mozaz, S., Díaz‐Cruz, M. S., Sunyer‐Caldú, A., Luarte, T., Höfer, J., Galbán-Malagón, C. J., & Gago-Ferrero, P. (2021) · MethodsX · doi:10.1016/j.mex.2020.101193 · Cited by 16 · see citing works

Wide-scope screening for pharmaceutically active substances in a leafy vegetable cultivated under biogas slurry irrigation

Chen, W., Lin, S.-C., Huang, C.-H., Peng, S.-Y., & Ling, Y. S. (2020) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2020.141519 · Cited by 12 · see citing works

Emerging contaminants: A One Health perspective

Wang, F., Xiang, L., Sze-Yin Leung, K., Elsner, M., Zhang, Y., Guo, Y., Pan, B., Sun, H., An, T., Ying, G., et al. (2024) · The Innovation · doi:10.1016/j.xinn.2024.100612 · Cited by 639 · see citing works

NORMAN guidance on suspect and non-target screening in environmental monitoring

Hollender, J., Schymanski, E., Ahrens, L., Alygizakis, ‪., Béen, F. M., Bijlsma, L., Brunner, A. M., Celma, A., Fildier, A., Fu, Q., et al. (2023) · Environmental Sciences Europe · doi:10.1186/s12302-023-00779-4 · Cited by 299 · see citing works

Occurrence, bioaccumulation, fate, and risk assessment of emerging pollutants in aquatic environments: A review

Yu, Y., Wang, Z., Yao, B. W., & Zhou, Y. (2024) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2024.171388 · Cited by 112 · see citing works

Environmental Applications of Mass Spectrometry for Emerging Contaminants

Meher, A. K., & Zarouri, A. (2025) · Molecules · doi:10.3390/molecules30020364 · Cited by 92 · see citing works

Machine Learning-Based Hazard-Driven Prioritization of Features in Nontarget Screening of Environmental High-Resolution Mass Spectrometry Data

Arturi, K., & Hollender, J. (2023) · Environmental Science & Technology · doi:10.1021/acs.est.3c00304 · Cited by 85 · see citing works

Quantification Approaches in Non-Target LC/ESI/HRMS Analysis: An Interlaboratory Comparison

Malm, L., Liigand, J., Aalizadeh, R., Alygizakis, ‪., Ng, K., Frøkjær, E. E., Nanusha, M. Y., Hansen, M. A., Plassmann, M. M., Bieber, S., et al. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.4c02902 · Cited by 69 · see citing works

How Wastewater Reflects Human Metabolism─Suspect Screening of Pharmaceutical Metabolites in Wastewater Influent

Meyer, C., Stravs, M. A., & Hollender, J. (2024) · Environmental Science & Technology · doi:10.1021/acs.est.4c00968 · Cited by 64 · see citing works

Non-target screening in water analysis: recent trends of data evaluation, quality assurance, and their future perspectives

Vosough, M., Schmidt, T. C., & Renner, G. (2024) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-024-05153-8 · Cited by 54 · see citing works

Essentials in the acquisition, interpretation, and reporting of plant metabolite profiles

Çiçek, S. S., Mangoni, A., Hanschen, F. S., Agerbirk, N., & Zidorn, C. (2024) · Phytochemistry · doi:10.1016/j.phytochem.2024.114004 · Cited by 52 · see citing works

Non-target and target screening and risk assessment of per- and polyfluoroalkyl substances in textile wastewater and receiving river

Xiao, S., Liu, T., Hu, L., Yang, B., & Ying, G. (2024) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2024.171876 · Cited by 42 · see citing works

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

Samanipour, S., Barron, L., van Herwerden, D., Praetorius, A., Thomas, K. V., & O'Brien, J. W. (2024) · JACS Au · doi:10.1021/jacsau.4c00220 · Cited by 46 · see citing works

Single‐cell transcriptomic analysis deciphers key transitional signatures associated with oncogenic evolution in human intramucosal oesophageal squamous cell carcinoma

Liu, X., Liu, Y., Xu, J., Zhang, Y., Ruan, Y., Zhao, Y., Wu, L., Hu, J., Zhang, Z., He, M., et al. (2023) · Clinical and Translational Medicine · doi:10.1002/ctm2.1203 · Cited by 38 · see citing works

Beyond target chemicals: updating the NORMAN prioritisation scheme to support the EU chemicals strategy with semi-quantitative suspect/non-target screening data

Dulio, V., Alygizakis, ‪., Ng, K., Schymanski, E., Andrès, S., Vorkamp, K., Hollender, J., Finckh, S., Aalizadeh, R., Ahrens, L., et al. (2024) · Environmental Sciences Europe · doi:10.1186/s12302-024-00936-3 · Cited by 37 · see citing works

Introducing “Identification Probability” for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies

Metz, T., Chang, C., Gautam, V., Anjum, A., Tian, S., Wang, F., Colby, S., Nuñez, J., Blumer, M., Edison, A. S., et al. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.4c04060 · Cited by 39 · see citing works

Trends, challenges, and research pathways in emerging contaminants: a comprehensive bibliometric analysis

Alam, M. S., Tahriri, F., & Chen, G. (2025) · Integrated Environmental Assessment and Management · doi:10.1093/inteam/vjae036 · Cited by 35 · see citing works

Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry

Szabo, D., Falconer, T. M., Fisher, C. M., Heise, T., Phillips, A. L., Vas, G., Williams, A. J., & Kruve, A. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.3c05705 · Cited by 31 · see citing works

Innovative analytical methodologies for characterizing chemical exposure with a view to next-generation risk assessment

Tkalec, Ž., Antignac, J., Bandow, N., Béen, F. M., Belova, L., Bessems, J. G. M., Bizec, B. L., Brack, W., Cano-Sancho, G., Chaker, J., et al. (2024) · Environment International · doi:10.1016/j.envint.2024.108585 · Cited by 31 · see citing works

Exploring the Occurrence of Organic Contaminants in Human Semen through an Innovative LC-HRMS-Based Methodology Suitable for Target and Nontarget Analysis

Sánchez‐Resino, E., Marquès, M., Gutiérrez-Martín, D., Restrepo-Montes, E., Martínez, M. Á., Salas‐Huetos, A., Babió, N., Salas‐Salvadó, J., Gil‐Solsona, R., & Gago-Ferrero, P. (2023) · Environmental Science & Technology · doi:10.1021/acs.est.3c04347 · Cited by 28 · see citing works

Bridging knowledge gaps in human chemical exposure via drinking water with non-target screening

Ciccarelli, D., Samanipour, S., Rapp-Wright, H., Bieber, S., Letzel, T., O'Brien, J. W., Marczylo, T. H., Gant, T. W., Vineis, P., & Barron, L. (2024) · Critical Reviews in Environmental Science and Technology · doi:10.1080/10643389.2024.2396690 · Cited by 23 · see citing works

HRMS-based suspect screening of pharmaceuticals and their transformation products in multiple environmental compartments: An alternative to target analysis?

Castaño-Ortiz, J. M., Gago-Ferrero, P., Barceló, ‪., Rodríguez‐Mozaz, S., & Gil‐Solsona, R. (2023) · Journal of Hazardous Materials · doi:10.1016/j.jhazmat.2023.132974 · Cited by 23 · see citing works

Comprehensive characterization of European house dust contaminants: Concentrations and profiles, geographical variability, and implications for chemical regulation and health risk

Haglund, P. S., Alygizakis, N. A., Covaci, A., Melymuk, L. E., Bohlin‐Nizzetto, P., Rostkowski, P., Albinet, A., Alirai, S., Aurich, D., Bieber, S., et al. (2024) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2024.177639 · Cited by 20 · see citing works

Reproducibility in nontarget screening (NTS) of environmental emerging contaminants: Assessing different HLB SPE cartridges and instruments

Jia, W., Liu, H., Ma, Y., Huang, G., Liu, Y., Zhao, B., Xie, D., Huang, K., & Wang, R. (2023) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2023.168971 · Cited by 20 · see citing works

Advances in the analysis of disinfection by-products with mass spectrometry: Sample preparation and target/non-target screening

Gao, J., Lai, F. Y., Postigo, C., & Yang, M. (2024) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2024.117621 · Cited by 17 · see citing works

Approaches for GC-HRMS Screening of Organic Microcontaminants: GC-APCI-IMS-QTOF versus GC-EI-QOrbitrap

Izquierdo-Sandoval, D., Sancho, J. V., Hernández, F. J., & Portolés, T. (2025) · Environmental Science & Technology · doi:10.1021/acs.est.4c11032 · Cited by 16 · see citing works

Comprehensive characterization of organic compounds in indoor dust after generic sample preparation with SUPRAS and analysis by LC-HRMS/MS

Ballesteros‐Gómez, A., Ballesteros, J., & Rubio, S. (2023) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2023.169390 · Cited by 16 · see citing works

Artificial intelligence decision making tools in food metabolomics: Data fusion unravels synergies within the hazelnut (Corylus avellana L.) metabolome and improves quality prediction

Squara, S., Caratti, A., Fina, A., Liberto, E., Koljančić, N., Špánik, I., Genova, G., Castello, G., Bicchi, C. P., de Villiers, A. J., et al. (2024) · Food Research International · doi:10.1016/j.foodres.2024.114873 · Cited by 15 · see citing works

Communicating with Stakeholders to Identify High-Impact Research Directions for Non-Targeted Analysis

Nason, S. L., McCord, J. P., Feng, Y.-L., Sobus, J. R., Fisher, C. M., Marfil‐Vega, R., Phillips, A. L., Johnson, G., Sloop, J. T., Bayen, S., et al. (2025) · Analytical Chemistry · doi:10.1021/acs.analchem.4c04801 · Cited by 14 · see citing works

Identification of polar bioactive substances in the Upper Rhine using effect-directed analysis

Байгильдиев, Т. М., Meijer, J., Cenijn, P. H., Riegel, M., Arp, H. P. H., Lamoree, M. H., & Hamers, T. (2024) · Water Research · doi:10.1016/j.watres.2024.122607 · Cited by 11 · see citing works

Exploring the Chemical Complexity and Sources of Airborne Fine Particulate Matter in East Asia by Nontarget Analysis and Multivariate Modeling

Froment, J., Park, J., Kim, S., Cho, Y. W., Choi, S., Seo, Y. H., Baik, S., Lee, J. E., & Martin, J. W. (2025) · Environmental Science & Technology · doi:10.1021/acs.est.4c09615 · Cited by 11 · see citing works

Tunnel vision in the drinking water research field – Time for non-targeted analysis implementation?

Kutil, Z., Novotná, K., Čermáková, L., & Pivokonský, M. (2023) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2023.168367 · Cited by 11 · see citing works

Non-target analysis for water characterization: wastewater treatment impact and selection of relevant features

Motteau, S., Deborde, M., Gombert, B., & Leitner, N. K. V. (2023) · Environmental Science and Pollution Research · doi:10.1007/s11356-023-30972-0 · Cited by 9 · see citing works

Emerging perfluoroalkyl substances in environmental waters revealed by non-targeted screening

Steeves, K. L., Cahill, L. S., & Jobst, K. J. (2024) · Current Opinion in Environmental Science & Health · doi:10.1016/j.coesh.2024.100531 · Cited by 9 · see citing works

Pollution by polar pesticides and pharmaceuticals and risk assessment in surface water bodies along the French Mediterranean coast: Complementarity of target and non-target screenings

Martin, N., Duporté, G., Lemaire, E., Sauvêtre, A., Bertrand, M., Rosain, D., Góméz, E., & Farcy, É. (2025) · Environmental Chemistry and Ecotoxicology · doi:10.1016/j.enceco.2025.04.004 · Cited by 9 · see citing works

Identification and quantification of acetyl tributyl citrate (ATBC) metabolites using human liver microsomes and human urine

Jeon, H., Yeo, S., Park, E.-A., Kang, D., Shen, K., Kim, M.-Y., Lee, I.-S., Jeon, J., Moon, B., Ji, K., et al. (2024) · Chemosphere · doi:10.1016/j.chemosphere.2024.142840 · Cited by 9 · see citing works

Development and Implementation of Automated Qualification Processes for the Identification of Pollutants in an Aquatic Environment from High-Resolution Mass Spectrometric Nontarget Screening Data

Lestremau, F., Levesque, A., Lahssini, A., de Bornier, T. M., Laurans, R., Assoumani, A., & Biaudet, H. (2023) · ACS ES&T Water · doi:10.1021/acsestwater.2c00545 · Cited by 8 · see citing works

qPeaks: A Linear Regression-Based Asymmetric Peak Model for Parameter-Free Automatized Detection and Characterization of Chromatographic Peaks in Non-Target Screening Data

Reuschenbach, M., Drees, F., Leupold, M. S., Tintrop, L. K., Schmidt, T. C., & Renner, G. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.4c00494 · Cited by 8 · see citing works

From sound check to encore: A journey through high‐resolution mass spectrometry‐based food analyses and metabolomics

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Ngan, H., Turkina, V., van Herwerden, D., Yan, H., Cai, Z., & Samanipour, S. (2025) · Analytical Chemistry · doi:10.1021/acs.analchem.5c01873 · Cited by 6 · see citing works

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Squara, S., Moraglio, S. T., Caratti, A., Fina, A., Liberto, E., Bicchi, C. P., Weinert, C. H., Soukup, S. T., Tavella, L., & Cordero, C. E. I. (2024) · Journal of Agricultural and Food Chemistry · doi:10.1021/acs.jafc.4c06888 · Cited by 5 · see citing works

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Alygizakis, N. A., Ng, K., Gkotsis, G., Nika, M., Vasilatos, K., Kostakis, M. G., Oswald, P., Savenko, O., Utevsky, А., Dykyi, E., et al. (2025) · Journal of Environmental Exposure Assessment · doi:10.20517/jeea.2025.18 · Cited by 5 · see citing works

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Balakrishnan, A., Senthilkumar, V., Jeyakumaran, S. R., John, J., Vinodh, K., Kannan, U., & Paramasivam, B. (2024) · Regulatory Toxicology and Pharmacology · doi:10.1016/j.yrtph.2024.105563 · Cited by 5 · see citing works

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Alampanos, V. D., & Lambropoulou, D. A. (2024) · Elsevier eBooks · doi:10.1016/b978-0-323-85601-0.00023-0 · Cited by 4 · see citing works

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Bartolomé, A., Herrera, E. M., Paraian, A., Fernández-Arribas, J., ELJARRAT, E., & Flores, C. (2026) · Food Chemistry · doi:10.1016/j.foodchem.2026.147912 · Cited by 4 · see citing works

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Antić, I., Buljovčić, M., Cochran, R. E., Živančev, J., Llorca, M., Farré, M., Rakić, D., Tautenhahn, R., & Đurišić-Mladenović, N. (2026) · Toxics · doi:10.3390/toxics14010078 · Cited by 3 · see citing works

Large-scale generation of in silico based spectral libraries to annotate dark chemical space features in non-target analysis

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Suspect Screening and Prioritization as an Analytical Strategy for the Identification of Persistent, Mobile, and Toxic (PMT) Substances in Surface Water

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Kronsbein, A. L., Wallis, R. M., Winter, E., Bandow, N., Jewell, K. S., Dierkes, G., Wick, A., & Koschorreck, J. (2026) · Environmental Sciences Europe · doi:10.1186/s12302-026-01368-x · Cited by 3 · see citing works

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Cui, H., He, J., Zhang, L., Shi, K., Wang, A., & Liang, B. (2024) · Elsevier eBooks · doi:10.1016/b978-0-443-14170-6.00033-0 · Cited by 3 · see citing works

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Martínez-Piernas, A. B., Badagian, N., Brena, B. M., Parada, A. P., & García-Reyes, J. F. (2024) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2024.178230 · Cited by 3 · see citing works

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Xue, W., Lv, Y., Wu, B., & Wan, X. (2023) · International Journal of Environmental & Analytical Chemistry · doi:10.1080/03067319.2023.2243224 · Cited by 2 · see citing works

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Hajjar, G., Giacomoni, F., Umec, M., Lefebvre, M., Pimentel, M. P. C., Prigent, S., Cabasson, C., Chagoyen, M., Pétriacq, P., Comte, B., et al. (2026) · Metabolomics · doi:10.1007/s11306-026-02404-w · Cited by 2 · see citing works

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Rahman, R. O. A. (2024) · Elsevier eBooks · doi:10.1016/b978-0-323-96008-3.00012-7 · Cited by 2 · see citing works

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Liquid Chromatography/Mass Spectrometry in Environmental Analysis

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HRMS-based suspect and non-target screening for contaminants of emerging concern: Current analytical strategies, compounds identification workflows, general research trends, and future perspectives

Ekpe, O. D., Khalid, N. K., & Oh, J. (2024) · Elsevier eBooks · doi:10.1016/b978-0-323-85601-0.00032-1 · Cited by 1 · see citing works

AI-driven multidimensional profiling of trace impurities in carbofuran

Hu, L., Robertson, C., Li, X., Zhang, Y., Li, H., Wielgosz, R. I., Josephs, R. D., & Wang, S. (2025) · Microchemical Journal · doi:10.1016/j.microc.2025.116433 · Cited by 1 · see citing works

Suspect and non-targeted screening of exposure biomarkers in urine from Korean adults: Mining archived data for insights from the Korean National Environmental Health Survey 3rd cycle

McGrath, T. J., Lee, N. H., Kwon, J., Choi, K., Park, J., Kho, Y., Moon, H., & Kim, S. (2026) · Environmental Research · doi:10.1016/j.envres.2026.123677 · Cited by 1 · see citing works

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Ferrocino, I., Ponzo, V., Goitre, I., Trapani, F., Cordero, C. E. I., Favaro, E., Riso, S., Merlo, F. D., Fransos, L., Marengo, F., et al. (2026) · Food Frontiers · doi:10.1002/fft2.70239 · Cited by 1 · see citing works

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Choudhary, V., & Philip, L. (2026) · Current Opinion in Environmental Science & Health · doi:10.1016/j.coesh.2026.100728 · Cited by 1 · see citing works

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Celma, A. (2023) · The handbook of environmental chemistry · doi:10.1007/698_2023_1055 · Cited by 1 · see citing works

Integration of Metabolomics and Flux Balance Analysis: Applications and Challenges

Abdi, G., Patil, N., Jain, M., & Barwant, M. M. (2024) · Springer eBooks · doi:10.1007/978-981-99-8401-5_10 · Cited by 1 · see citing works

Screening of Biological Samples with HRMS to Evaluate the External Human Chemical Exposome

Sunyer‐Caldú, A., Marquès, M., Gil‐Solsona, R., & Gago-Ferrero, P. (2024) · The handbook of environmental chemistry · doi:10.1007/698_2024_1091 · Cited by 1 · see citing works

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Quality Assurance and Quality Control (QA/QC) for High-Resolution Mass Spectrometry (HRMS) Non-target Screening Methods

Schulze, B., & Kaserzon, S. (2024) · The handbook of environmental chemistry · doi:10.1007/698_2024_1090

Data dissemination and repositories

Ng, K., Alirai, S., Alygizakis, N. A., Čirka, Ľ., Oswaldova, M., Τhomaidis, Ν. S., & Slobodnı́k, J. (2024) · Elsevier eBooks · doi:10.1016/b978-0-323-85601-0.00016-3

Mass Spectrometry in Medical Diagnostics: Principles and Applications

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Jiménez-Nieto, A., Izquierdo-Sandoval, D., Sancho, J. V., Granell, M., González-Ruiz, A., Ballesteros, M., Vilanova, N., Megía, A., Gago-Ferrero, P., Domingo, J. L., et al. (2025) · Talanta · doi:10.1016/j.talanta.2025.128897

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Non-Targeted and Targeted Screening of Organic Contaminants in Honeybees’ Death Incidents in Greece: A Story Beyond Pesticides

Baira, E., Tzanetou, E. N., Manea-Karga, E., Machera, K. A., & Kasiotis, K. M. (2026) · Journal of Xenobiotics · doi:10.3390/jox16020064

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Karakoltzidis, A., Alygizakis, N. A., Andersson, P. L., Antignac, J., Badry, A., Bandow, N., Béen, F. M., Belova, L., Benfenati, E., Carere, M., et al. (2026) · Environmental Sciences Europe · doi:10.1186/s12302-026-01427-3

Comparative assessment of screening workflows for characterizing occupational exposure to chemicals in humans: an EU-PARC interlaboratory study

Habchi, B., Remy, A. M., Belova, L., Covaci, A., Damont, A., Kosjek, T., Huber, C. E., Grova, N., Antoine, G., Moufawad, T., et al. (2026) · Environmental Sciences Europe · doi:10.1186/s12302-026-01452-2

Non-target analysis of organic pollutants in flooded soils after a major climate disaster in Spain

López, A., Miralles, P., Dualde, P., Lacomba, I., Fuentes-Ferragud, E., Peris-Camarasa, B., & Coscollà, C. (2026) · Microchemical Journal · doi:10.1016/j.microc.2026.119000

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Pérez-López, C., Ginebreda, A., Barceló, ‪., & Tauler, R. (2026) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2026.119012

One Health water-based epidemiology: The chemical perspective

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Machine Learning–Enhanced LC–HRMS Workflows for Suspect and Nontargeted Screening of Pesticide Residues in Fruits and Vegetables

González, S. A., Merino, G., & Dallos, J. A. G. (2026) · Analytical Chemistry · doi:10.1021/acs.analchem.5c06726

Valorization of Plant-Derived Agri-Food Byproducts in Functional Beverages: Matrix Engineering, Microbiota Modulation, and Translational Challenges

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Non-target analysis for wastewater treatment evaluation: strategies, applications, and future directions

Koko, I., Almomani, F., Hashmi, M. Z. U. R., & Ghanimeh, S. A. (2026) · Frontiers in Environmental Engineering · doi:10.3389/fenve.2026.1911579

Suspect and nontarget screening in environmental analysis: Principles, current directions and real-world applications

Celma, A., Belova, L., Gil‐Solsona, R., & Sunyer‐Caldú, A. (2026) · Elsevier eBooks · doi:10.1016/b978-0-443-33821-2.00009-8

Quality assurance, quality control and validation in environmental analysis

Boogaerts, T., den Ouden, F., Belova, L., Roggeman, M., Gys, C., Covaci, A., & van Nuijs, A. L. N. (2026) · Elsevier eBooks · doi:10.1016/b978-0-443-33821-2.00005-0

Exploration of Chemical Space Covered by Nontarget Screening Based on the Prediction of Chemical Substances Amenable to LC-HRMS Analysis

Huang, X. Y., Zhai, W., Su, W., Yang, Z., Liang, W., Wang, P., Ruan, T., & Jiang, G. (2025) · Environmental Science & Technology Letters · doi:10.1021/acs.estlett.5c00293 · Cited by 9 · see citing works

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

Zedda, M., & Zwiener, C. (2012) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-012-5893-y · Cited by 118 · see citing works

Non-target Screening Using LC-HRMS: Fundamentals, Key Aspects, and Application to Identify Transformation Products of Organic Contaminants in the Environment

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Confidence assessment of LC-HRMS chemical identification employing machine learning

Samanipour, S., Choi, P. M., O'Brien, J. W., Reid, M. J., & Thomas, K. V. (2021) · doi:10.13140/rg.2.2.13300.27523

From Analysis to Assessment: Machine Learning for Non-Target Screening of Pollutants Using Chromatography Coupled with (Ion Mobility) Mass Spectrometry

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