The table below contains all references used in the reference content as well as many, many more resource we think are relevant to NTA! You can sort, search, copy, or download this table.
The table below was created with the help of Nancy Baker and Abstract Sifter. You can download Abstract Sifter from github here or download the excel version of this reference library here.
| Authors | Pub Yr | Title | Journal | Source | Volume | Issue | Pages | DOI | Link |
|---|---|---|---|---|---|---|---|---|---|
| Andra, Syam S.; Austin, Christine; Patel, Dhavalkumar; Dolios, Georgia; Awawda, Mahmoud; Arora, Manish | 2017 | Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome | ENVIRON INT | WOS | 100 | 32-61 | 10.1016/j.envint.2016.11.026 | http://dx.doi.org/10.1016/j.envint.2016.11.026 | |
| Bansal, Priyanka; Yatsyna, Vasyl; AbiKhodr, Ali H.; Warnke, Stephan; Ben Faleh, Ahmed; Yalovenko, Natalia; Wysocki, Vicki H.; Rizzo, Thomas R. | 2020 | Using SLIM-Based IMS-IMS Together with Cryogenic Infrared Spectroscopy for Glycan Analysis | ANAL CHEM | WOS | 92 | 13 | 9079-9085 | 10.1021/acs.analchem.0c01265 | http://dx.doi.org/10.1021/acs.analchem.0c01265 |
| Bearden, Daniel W.; Sheen, David A.; Simon-Manso, Yamil; Benner, Bruce A., Jr.; Rocha, Werickson F. C.; Blonder, Niksa; Lippa, Katrice A.; Beger, Richard D.; Schnackenberg, Laura K.; Sun, Jinchun; Mehta, Khyati Y.; Cheema, Amrita K.; Gu, Haiwei; Marupaka, Ramesh; Gowda, G. A. Nagana; Raftery, Daniel | 2019 | Metabolomics Test Materials for Quality Control: A Study of a Urine Materials Suite | METABOLITES | WOS | 9 | 11 | 10.3390/metabo9110270 | http://dx.doi.org/10.3390/metabo9110270 | |
| Beger, Richard D.; Dunn, Warwick B.; Bandukwala, Abbas; Bethan, Bianca; Broadhurst, David; Clish, Clary B.; Dasari, Surendra; Derr, Leslie; Evans, Annie; Fischer, Steve; Flynn, Thomas; Hartung, Thomas; Herrington, David; Higashi, Richard; Hsu, Ping-Ching; Jones, Christina; Kachman, Maureen; Karuso, Helen; Kruppa, Gary; Lippa, Katrice; Maruvada, Padma; Mosley, Jonathan; Ntai, Ioanna; O'Donovan, Claire; Playdon, Mary; Raftery, Daniel; Shaughnessy, Daniel; Souza, Amanda; Spaeder, Timothy; Spalholz, Barbara; Tayyari, Fariba; Ubhi, Baljit; Verma, Mukesh; Walk, Tilman; Wilson, Ian; Witkin, Keren; Bearden, Daniel W.; Zanetti, Krista A. | 2019 | Towards quality assurance and quality control in untargeted metabolomics studies | METABOLOMICS | WOS | 15 | 1 | 10.1007/s11306-018-1460-7 | http://dx.doi.org/10.1007/s11306-018-1460-7 | |
| Ben Faleh, Ahmed; Warnke, Stephan; Rizzo, Thomas R. | 2019 | Combining Ultrahigh-Resolution Ion-Mobility Spectrometry with Cryogenic Infrared Spectroscopy for the Analysis of Glycan Mixtures | ANAL CHEM | WOS | 91 | 7 | 4876-4882 | 10.1021/acs.analchem.9b00659 | http://dx.doi.org/10.1021/acs.analchem.9b00659 |
| Bentley, Mark C.; Almstetter, Martin; Arndt, Daniel; Knorr, Arno; Martin, Elyette; Pospisil, Pavel; Maeder, Serge | 2020 | Comprehensive chemical characterization of the aerosol generated by a heated tobacco product by untargeted screening | ANAL BIOANAL CHEM | WOS | 412 | 11SI | 2675-2685 | 10.1007/s00216-020-02502-1 | http://dx.doi.org/10.1007/s00216-020-02502-1 |
| Biryol, Derya; Nicolas, Chantel I.; Wambaugh, John; Phillips, Katherine; Isaacs, Kristin | 2017 | High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization | ENVIRON INT | WOS | 108 | 185-194 | 10.1016/j.envint.2017.08.004 | http://dx.doi.org/10.1016/j.envint.2017.08.004 | |
| Bohacek RS, McMartin C, Guida WC | 1996 | The art and practice of structure-based drug design: a molecular modeling perspective. | Medicinal research reviews | PubMed | 16 | 1 | 3-50 | 10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6 | http://dx.doi.org/10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6 |
| Cavanna, Daniele; Righetti, Laura; Elliott, Chris; Suman, Michele | 2018 | 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 | TRENDS FOOD SCI TECH | WOS | 80 | 223-241 | 10.1016/j.tifs.2018.08.007 | http://dx.doi.org/10.1016/j.tifs.2018.08.007 | |
| Chong, Elizabeth Y.; Huang, Yijian; Wu, Hao; Ghasemzadeh, Nima; Uppal, Karan; Quyyumi, Arshed A.; Jones, Dean P.; Yu, Tianwei | 2015 | Local false discovery rate estimation using feature reliability in LC/MS metabolomics data | SCI REP-UK | WOS | 5 | 10.1038/srep17221 | http://dx.doi.org/10.1038/srep17221 | ||
| Colby, Sean M.; Nunez, Jamie R.; Hodas, Nathan O.; Corley, Courtney D.; Renslow, Ryan R. | 2020 | Deep Learning to Generate in Silico Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples | ANAL CHEM | WOS | 92 | 2 | 1720-1729 | 10.1021/acs.analchem.9b02348 | http://dx.doi.org/10.1021/acs.analchem.9b02348 |
| Daly, Ronan; Rogers, Simon; Wandy, Joe; Jankevics, Andris; Burgess, Karl E. V.; Breitling, Rainer | 2014 | MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach | BIOINFORMATICS | WOS | 30 | 19 | 2764-2771 | 10.1093/bioinformatics/btu370 | http://dx.doi.org/10.1093/bioinformatics/btu370 |
| Du, Bowen; Lofton, Jonathan M.; Peter, Katherine T.; Gipe, Alexander D.; James, C. Andrew; McIntyre, Jenifer K.; Scholz, Nathaniel L.; Baker, Joel E.; Kolodziej, Edward P. | 2017 | 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 | ENVIRON SCI-PROC IMP | WOS | 19 | 9 | 1185-1196 | 10.1039/c7em00243b | http://dx.doi.org/10.1039/c7em00243b |
| Dwivedi, Prabha; Wu, Ching; Matz, Laura M.; Clowers, Brian H.; Siems, William F.; Hill, Herbert H., Jr. | 2006 | Gas-phase chiral separations by ion mobility spectrometry | ANAL CHEM | WOS | 78 | 24 | 8200-8206 | 10.1021/ac0608772 | http://dx.doi.org/10.1021/ac0608772 |
| Esslinger, S.; Riedl, J.; Fauhl-Hassek, C. | 2014 | Potential and limitations of non-targeted fingerprinting for authentication of food in official control | FOOD RES INT | WOS | 60 | SI | 189-204 | 10.1016/j.foodres.2013.10.015 | http://dx.doi.org/10.1016/j.foodres.2013.10.015 |
| Fiehn, Oliver; Robertson, Don; Griffin, Jules; van der Werf, Mariet; Nikolau, Basil; Morrison, Norman; Sumner, Lloyd W.; Goodacre, Roy; Hardy, Nigel W.; Taylor, Chris; Fostel, Jennifer; Kristal, Bruce; Kaddurah-Daouk, Rima; Mendes, Pedro; van Ommen, Ben; Lindon, John C.; Sansone, Susanna-Assunta | 2007 | The metabolomics standards initiative (MSI) | METABOLOMICS | WOS | 3 | 3 | 175-178 | 10.1007/s11306-007-0070-6 | http://dx.doi.org/10.1007/s11306-007-0070-6 |
| Gao, Wen; Yang, Hua; Qi, Lian-Wen; Liu, E-Hu; Ren, Mei-Ting; Yan, Yu-Ting; Chen, Jun; Li, Ping | 2012 | Unbiased metabolite profiling by liquid chromatography-quadrupole time-of-flight mass spectrometry and multivariate data analysis for herbal authentication: Classification of seven Lonicera species flower buds | J CHROMATOGR A | WOS | 1.245 | 109-116 | 10.1016/j.chroma.2012.05.027 | http://dx.doi.org/10.1016/j.chroma.2012.05.027 | |
| Guo, Zeqin; Huang, Sheng; Wang, Jianhua; Feng, Yong-Lai | 2020 | Recent advances in non-targeted screening analysis using liquid chromatography - high resolution mass spectrometry to explore new biomarkers for human exposure | TALANTA | WOS | 219 | 10.1016/j.talanta.2020.121339 | http://dx.doi.org/10.1016/j.talanta.2020.121339 | ||
| Hites, Ronald A.; Jobst, Karl J. | 2018 | Is Nontargeted Screening Reproducible? | ENVIRON SCI TECHNOL | WOS | 52 | 21 | 11975-11976 | 10.1021/acs.est.8b05671 | http://dx.doi.org/10.1021/acs.est.8b05671 |
| Jordi, Mark Anderson; Khera, Smriti; Roland, Kevin; Jiang, Liuwei; Solomon, Paige; Nelson, Jenny; Lateef, Syed Salman; Woods, James; Martin, Leland; Martin, Samantha; Aiello, Frankie; Chen, Nina | 2018 | Qualitative assessment of extractables from single-use components and the impact of reference standard selection | J PHARMACEUT BIOMED | WOS | 150 | 368-376 | 10.1016/j.jpba.2017.12.029 | http://dx.doi.org/10.1016/j.jpba.2017.12.029 | |
| Knolhoff, Ann M.; Croley, Timothy R. | 2016 | Non-targeted screening approaches for contaminants and adulterants in food using liquid chromatography hyphenated to high resolution mass spectrometry | J CHROMATOGR A | WOS | 1.428 | 86-96 | 10.1016/j.chroma.2015.08.059 | http://dx.doi.org/10.1016/j.chroma.2015.08.059 | |
| Knolhoff, Ann M.; Premo, Jacob H.; Fisher, Christine M. | 2021 | A Proposed Quality Control Standard Mixture and Its Uses for Evaluating Nontargeted and Suspect Screening LC/HR-MS Method Performance | ANAL CHEM | WOS | 93 | 3 | 1596-1603 | 10.1021/acs.analchem.0c04036 | http://dx.doi.org/10.1021/acs.analchem.0c04036 |
| Knolhoff, Ann M.; Zweigenbaum, Jerry A.; Croley, Timothy R. | 2016 | Nontargeted Screening of Food Matrices: Development of a Chemometric Software Strategy To Identify Unknowns in Liquid Chromatography-Mass Spectrometry Data | ANAL CHEM | WOS | 88 | 7 | 3617-3623 | 10.1021/acs.analchem.5b04208 | http://dx.doi.org/10.1021/acs.analchem.5b04208 |
| Kruve, Anneli | 2019 | Semi-quantitative non-target analysis of water with liquid chromatography/high-resolution mass spectrometry: How far are we? | RAPID COMMUN MASS SP | WOS | 33 | SI | 54-63 | 10.1002/rcm.8208 | http://dx.doi.org/10.1002/rcm.8208 |
| Kruve, Anneli | 2020 | Strategies for Drawing Quantitative Conclusions from Nontargeted Liquid Chromatography-High-Resolution Mass Spectrometry Analysis | ANAL CHEM | WOS | 92 | 7 | 4691-4699 | 10.1021/acs.analchem.9b03481 | http://dx.doi.org/10.1021/acs.analchem.9b03481 |
| Liigand, Jaanus; Wang, Tingting; Kellogg, Joshua; Smedsgaard, Jorn; Cech, Nadja; Kruve, Anneli | 2020 | Quantification for non-targeted LC/MS screening without standard substances | SCI REP-UK | WOS | 10 | 1 | 10.1038/s41598-020-62573-z | http://dx.doi.org/10.1038/s41598-020-62573-z | |
| Martinez-Bueno, M. J.; Gomez Ramos, M. J.; Bauer, A.; Fernandez-Alba, A. R. | 2019 | An overview of non-targeted screening strategies based on high resolution accurate mass spectrometry for the identification of migrants coming from plastic food packaging materials | TRAC-TREND ANAL CHEM | WOS | 110 | 191-203 | 10.1016/j.trac.2018.10.035 | http://dx.doi.org/10.1016/j.trac.2018.10.035 | |
| McCord, James; Newton, Seth; Strynar, Mark | 2018 | Validation of quantitative measurements and semi-quantitative estimates of emerging perfluoroethercarboxylic acids (PFECAs) and hexfluoroprolyene oxide acids (HFPOAs) | J CHROMATOGR A | WOS | 1.551 | 52-58 | 10.1016/j.chroma.2018.03.047 | http://dx.doi.org/10.1016/j.chroma.2018.03.047 | |
| Megson, David; Reiner, Eric J.; Jobst, Karl J.; Dorman, Frank L.; Robson, Mathew; Focant, Jean-Francois | 2016 | A review of the determination of persistent organic pollutants for environmental forensics investigations | ANAL CHIM ACTA | WOS | 941 | 25-Oct | 10.1016/j.aca.2016.08.027 | http://dx.doi.org/10.1016/j.aca.2016.08.027 | |
| Milman, Boris L.; Zhurkovich, Inna K. | 2017 | The chemical space for non-target analysis | TRAC-TREND ANAL CHEM | WOS | 97 | 179-187 | 10.1016/j.trac.2017.09.013 | http://dx.doi.org/10.1016/j.trac.2017.09.013 | |
| Nannenga, Brent L.; Gonen, Tamir | 2019 | The cryo-EM method microcrystal electron diffraction (MicroED) | NAT METHODS | WOS | 16 | 5 | 369-379 | 10.1038/s41592-019-0395-x | http://dx.doi.org/10.1038/s41592-019-0395-x |
| Newton, Seth; McMahen, Rebecca; Stoeckel, James A.; Chislock, Michael; Lindstrom, Andrew; Strynar, Mark | 2017 | Novel Polyfluorinated Compounds Identified Using High Resolution Mass Spectrometry Downstream of Manufacturing Facilities near Decatur, Alabama | ENVIRON SCI TECHNOL | WOS | 51 | 3 | 1544-1552 | 10.1021/acs.est.6b05330 | http://dx.doi.org/10.1021/acs.est.6b05330 |
| Newton, Seth R.; McMahen, Rebecca L.; Sobus, Jon R.; Mansouri, Kamel; Williams, Antony J.; McEachran, Andrew D.; Strynar, Mark J. | 2018 | Suspect screening and non-targeted analysis of drinking water using point-of-use filters | ENVIRON POLLUT | WOS | 234 | 297-306 | 10.1016/j.envpol.2017.11.033 | http://dx.doi.org/10.1016/j.envpol.2017.11.033 | |
| Newton, Seth R.; Sobus, Jon R.; Ulrich, Elin M.; Singh, Randolph R.; Chao, Alex; McCord, James; Laughlin-Toth, Sarah; Strynar, Mark | 2020 | Examining NTA performance and potential using fortified and reference house dust as part of EPA's Non-Targeted Analysis Collaborative Trial (ENTACT) | ANAL BIOANAL CHEM | WOS | 412 | 18SI | 4221-4233 | 10.1007/s00216-020-02658-w | http://dx.doi.org/10.1007/s00216-020-02658-w |
| Ng, Brian; Quinete, Natalia; Gardinali, Piero R. | 2020 | Assessing accuracy, precision and selectivity using quality controls for non-targeted analysis | SCI TOTAL ENVIRON | WOS | 713 | 10.1016/j.scitotenv.2020.136568 | http://dx.doi.org/10.1016/j.scitotenv.2020.136568 | ||
| Nunez, Jamie R.; Colby, Sean M.; Thomas, Dennis G.; Tfaily, Malak M.; Tolic, Nikola; Ulrich, Elin M.; Sobus, Jon R.; Metz, Thomas O.; Teeguarden, Justin G.; Renslow, Ryan S. | 2019 | Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples | J CHEM INF MODEL | WOS | 59 | 9 | 4052-4060 | 10.1021/acs.jcim.9b00444 | http://dx.doi.org/10.1021/acs.jcim.9b00444 |
| Oberacher, Herbert; Sasse, Michael; Antignac, Jean-Philippe; Guitton, Yann; Debrauwer, Laurent; Jamin, Emilien L.; Schulze, Tobias; Krauss, Martin; Covaci, Adrian; Caballero-Casero, Noelia; Rousseau, Kathleen; Damont, Annelaure; Fenaille, Francois; Lamoree, Marja; Schymanski, Emma L. | 2020 | A European proposal for quality control and quality assurance of tandem mass spectral libraries | ENVIRON SCI EUR | WOS | 32 | 1 | 10.1186/s12302-020-00314-9 | http://dx.doi.org/10.1186/s12302-020-00314-9 | |
| Phillips, Katherine A.; Yau, Alice; Fayela, Kristin A.; Isaacs, Kristin K.; McEachran, Andrew; Grulke, Christopher; Richard, Ann M.; Williams, Antony J.; Sobus, Jon R.; Thomas, Russell S.; Wambaugh, John F. | 2018 | Suspect Screening Analysis of Chemicals in Consumer Products | ENVIRON SCI TECHNOL | WOS | 52 | 5 | 3125-3135 | 10.1021/acs.est.7b04781 | http://dx.doi.org/10.1021/acs.est.7b04781 |
| Pieke, Eelco N.; Granby, Kit; Trier, Xenia; Smedsgaard, Jorn | 2017 | A framework to estimate concentrations of potentially unknown substances by semi-quantification in liquid chromatography electrospray ionization mass spectrometry | ANAL CHIM ACTA | WOS | 975 | 30-41 | 10.1016/j.aca.2017.03.054 | http://dx.doi.org/10.1016/j.aca.2017.03.054 | |
| Polishchuk, P. G.; Madzhidov, T. I.; Varnek, A. | 2013 | Estimation of the size of drug-like chemical space based on GDB-17 data | J COMPUT AID MOL DES | WOS | 27 | 8 | 675-679 | 10.1007/s10822-013-9672-4 | http://dx.doi.org/10.1007/s10822-013-9672-4 |
| Pristner, Manuel; Warth, Benedikt | 2020 | Drug-Exposome Interactions: The Next Frontier in Precision Medicine | TRENDS PHARMACOL SCI | WOS | 41 | 12 | 994-1005 | 10.1016/j.tips.2020.09.012 | http://dx.doi.org/10.1016/j.tips.2020.09.012 |
| Riedl, Janet; Esslinger, Susanne; Fauhl-Hassek, Carsten | 2015 | Review of validation and reporting of non-targeted fingerprinting approaches for food authentication | ANAL CHIM ACTA | WOS | 885 | 17-32 | 10.1016/j.aca.2015.06.003 | http://dx.doi.org/10.1016/j.aca.2015.06.003 | |
| Sanchez-Salcedo, Eva Ma.; Tassotti, Michele; Del Rio, Daniele; Hernandez, Francisca; Jose Martinez, Juan; Mena, Pedro | 2016 | (Poly)phenolic fingerprint and chemometric analysis of white (Morus alba L.) and black (Morus nigra L.) mulberry leaves by using a non-targeted UHPLC-MS approach | FOOD CHEM | WOS | 212 | 250-255 | 10.1016/j.foodchem.2016.05.121 | http://dx.doi.org/10.1016/j.foodchem.2016.05.121 | |
| Santana-Mayor, Alvaro; Socas-Rodriguez, Barbara; Herrera-Herrera, Antonio V.; Angel Rodriguez-Delgado, Miguel | 2019 | Current trends in QuEChERS method. A versatile procedure for food, environmental and biological analysis | TRAC-TREND ANAL CHEM | WOS | 116 | 214-235 | 10.1016/j.trac.2019.04.018 | http://dx.doi.org/10.1016/j.trac.2019.04.018 | |
| de Oliveira Sardela, Patricia Davies; Sardela, Vinicius Figueiredo; dos Santos da Silva, Andressa Maia; Gualberto Pereira, Henrique Marcelo; de Aquino Neto, Francisco Radler | 2019 | A pilot study of non-targeted screening for stimulant misuse using high-resolution mass spectrometry | FORENSIC TOXICOL | WOS | 37 | 2 | 465-473 | 10.1007/s11419-019-00482-1 | http://dx.doi.org/10.1007/s11419-019-00482-1 |
| Scheubert, Kerstin; Hufsky, Franziska; Petras, Daniel; Wang, Mingxun; Nothias, Louis-Felix; Duehrkop, Kai; Bandeira, Nuno; Dorrestein, Pieter C.; Boecker, Sebastian | 2017 | Significance estimation for large scale metabolomics annotations by spectral matching | NAT COMMUN | WOS | 8 | 10.1038/s41467-017-01318-5 | http://dx.doi.org/10.1038/s41467-017-01318-5 | ||
| Schulze, Bastian; Jeon, Youngjoon; Kaserzon, Sarit; Heffernan, Amy L.; Dewapriya, Pradeep; O'Brien, Jake; Gomez Ramos, Maria Jose; Gorji, Sara Ghorbani; Mueller, Jochen F.; Thomas, Kevin V.; Samanipour, Saer | 2020 | An assessment of quality assurance/quality control efforts in high resolution mass spectrometry non-target workflows for analysis of environmental samples | TRAC-TREND ANAL CHEM | WOS | 133 | 10.1016/j.trac.2020.116063 | http://dx.doi.org/10.1016/j.trac.2020.116063 | ||
| Schymanski, Emma L.; Jeon, Junho; Gulde, Rebekka; Fenner, Kathrin; Ruff, Matthias; Singer, Heinz P.; Hollender, Juliane | 2014 | Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence | ENVIRON SCI TECHNOL | WOS | 48 | 4 | 2097-2098 | 10.1021/es5002105 | http://dx.doi.org/10.1021/es5002105 |
| Schymanski, Emma L.; Ruttkies, Christoph; Krauss, Martin; Brouard, Celine; Kind, Tobias; Duehrkop, Kai; Allen, Felicity; Vaniya, Arpana; Verdegem, Dries; Boecker, Sebastian; Rousu, Juho; Shen, Huibin; Tsugawa, Hiroshi; Sajed, Tanvir; Fiehn, Oliver; Ghesquiere, Bart; Neumann, Steffen | 2017 | Critical Assessment of Small Molecule Identification 2016: automated methods | J CHEMINFORMATICS | WOS | 9 | 10.1186/s13321-017-0207-1 | http://dx.doi.org/10.1186/s13321-017-0207-1 | ||
| Self, Randy L.; McLendon, Michael G.; Lock, Christopher M. | 2019 | Determination of decomposition in Salmon products by mass spectrometry with sensory-driven multivariate analysis | J FOOD SAFETY | WOS | 39 | 5 | 10.1111/jfs.12676 | http://dx.doi.org/10.1111/jfs.12676 | |
| Silva, Ricardo R.; Jourdan, Fabien; Salvanha, Diego M.; Letisse, Fabien; Jamin, Emilien L.; Guidetti-Gonzalez, Simone; Labate, Carlos A.; Vencio, Ricardo Z. N. | 2014 | ProbMetab: an R package for Bayesian probabilistic annotation of LC-MS-based metabolomics | BIOINFORMATICS | WOS | 30 | 9 | 1336-1337 | 10.1093/bioinformatics/btu019 | http://dx.doi.org/10.1093/bioinformatics/btu019 |
| Sobus, Jon R.; Grossman, Jarod N.; Chao, Alex; Singh, Randolph; Williams, Antony J.; Grulke, Christopher M.; Richard, Ann M.; Newton, Seth R.; McEachran, Andrew D.; Ulrich, Elin M. | 2019 | Using prepared mixtures of ToxCast chemicals to evaluate non-targeted analysis (NTA) method performance | ANAL BIOANAL CHEM | WOS | 411 | 4 | 835-851 | 10.1007/s00216-018-1526-4 | http://dx.doi.org/10.1007/s00216-018-1526-4 |
| Sobus, Jon R.; Wambaugh, John F.; Isaacs, Kristin K.; Williams, Antony J.; McEachran, Andrew D.; Richard, Ann M.; Grulke, Christopher M.; Ulrich, Elin M.; Rager, Julia E.; Strynar, Mark J.; Newton, Seth R. | 2018 | Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA | J EXPO SCI ENV EPID | WOS | 28 | 5 | 411-426 | 10.1038/s41370-017-0012-y | http://dx.doi.org/10.1038/s41370-017-0012-y |
| Sumner, Lloyd W.; Amberg, Alexander; Barrett, Dave; Beale, Michael H.; Beger, Richard; Daykin, Clare A.; Fan, Teresa W. -M.; Fiehn, Oliver; Goodacre, Royston; Griffin, Julian L.; Hankemeier, Thomas; Hardy, Nigel; Harnly, James; Higashi, Richard; Kopka, Joachim; Lane, Andrew N.; Lindon, John C.; Marriott, Philip; Nicholls, Andrew W.; Reily, Michael D.; Thaden, John J.; Viant, Mark R. | 2007 | Proposed minimum reporting standards for chemical analysis | METABOLOMICS | WOS | 3 | 3 | 211-221 | 10.1007/s11306-007-0082-2 | http://dx.doi.org/10.1007/s11306-007-0082-2 |
| Ulrich, Elin M.; Sobus, Jon R.; Grulke, Christopher M.; Richard, Ann M.; Newton, Seth R.; Strynar, Mark J.; Mansouri, Kamel; Williams, Antony J. | 2019 | EPA's non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings | ANAL BIOANAL CHEM | WOS | 411 | 4 | 853-866 | 10.1007/s00216-018-1435-6 | http://dx.doi.org/10.1007/s00216-018-1435-6 |
| Viant, Mark R.; Ebbels, Timothy M. D.; Beger, Richard D.; Ekman, Drew R.; Epps, David J. T.; Kamp, Hennicke; Leonards, Pim E. G.; Loizou, George D.; MacRae, James I.; van Ravenzwaay, Bennard; Rocca-Serra, Philippe; Salek, Reza M.; Walk, Tilmann; Weber, Ralf J. M. | 2019 | Use cases, best practice and reporting standards for metabolomics in regulatory toxicology | NAT COMMUN | WOS | 10 | 10.1038/s41467-019-10900-y | http://dx.doi.org/10.1038/s41467-019-10900-y | ||
| Wang, Yi; Yu, Nanyang; Zhu, Xiaobin; Guo, Huiwei; Jiang, Jianguo; Wang, Xuebing; Shi, Wei; Wu, Jichun; Yu, Hongxia; Wei, Si | 2018 | Suspect and Nontarget Screening of Per- and Polyfluoroalkyl Substances in Wastewater from a Fluorochemical Manufacturing Park | ENVIRON SCI TECHNOL | WOS | 52 | 19 | 11007-11016 | 10.1021/acs.est.8b03030 | http://dx.doi.org/10.1021/acs.est.8b03030 |
| Warth, Benedikt; Spangler, Scott; Fang, Mingliang; Johnson, Caroline H.; Forsberg, Erica M.; Granados, Ana; Martin, Richard L.; Domingo-Almenara, Xavier; Huan, Tao; Rinehart, Duane; Montenegro-Burke, J. Rafael; Hilmers, Brian; Aisporna, Aries; Hoang, Linh T.; Uritboonthai, Winnie; Benton, H. Paul; Richardson, Susan D.; Williams, Antony J.; Siuzdak, Gary | 2017 | Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing | ANAL CHEM | WOS | 89 | 21 | 11505-11513 | 10.1021/acs.analchem.7b02759 | http://dx.doi.org/10.1021/acs.analchem.7b02759 |
| Xue, Jingchuan; Guijas, Carlos; Benton, H. Paul; Warth, Benedikt; Siuzdak, Gary | 2020 | METLIN MS2 molecular standards database: a broad chemical and biological resource | NAT METHODS | WOS | 17 | 10 | 953-954 | 10.1038/s41592-020-0942-5 | http://dx.doi.org/10.1038/s41592-020-0942-5 |
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