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S21_UATHTARGETS

S21 | UATHTARGETS | University of Athens Target List

List of target substances from University of Athens, provided by Nikiforos Alygizakis, updated by Maristina Nika, a collaborative effort of the Thomaidis lab. Dataset DOI: 10.5281/zenodo.2632410.

Update 22/3/2020: added InChIKey file. Update 8/2/2022: new files from Dec 2021 with new compounds, NORMAN ID, classification and comments (provided by Maristina Nika). (v0.2.1 - attempted fix of CSV headers; v0.2.2 many small fixes flagged via PubChem deposit)

Additional grant acknowledgement: Aristeia-Excellence: Transformation products of emerging pollutants in the aquatic environment (TREMEPOL project), 2012-2015,  European Social Fund-Ministry of Education, http://tremepol.chem.uoa.gr/

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Rows: 2466 Columns: 14 Citations: 7 Downloads: 2775
S42_HDXNOEX

S42 | HDXNOEX | Hydrogen Deuterium Exchange (HDX) Standard Set

Environmental standard set used to investigate hydrogen deuterium exchange in small molecule HRMS (Ruttkies et al. 2019, DOI 10.1007/s00216-019-01885-0). The HDXEXCH list on CompTox also contains observed deuterated species. Dataset DOI: 10.5281/zenodo.2656724.

This has a partner list of deuterated species (CompTox HDXEXCH List) associated with it that is not part of the NORMAN Suspect List Exchange (as these are not expected to occur in the environment). See related identifiers.

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Rows: 765 Columns: 14 Citations: 1 Downloads: 1142
S53_UFZWANATARG

S53 | UFZWANATARG | Target Compounds from UFZ WANA

List of reference standards/target compounds (for liquid and gas chromatrography, LC and GC) measured at WANA, UFZ (Leipzig, Germany), provided by Tobias Schulze and Martin Krauss. Dataset DOI: 10.5281/zenodo.3365549.

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Rows: 1235 Columns: 11 Citations: 0 Downloads: 1473
S56_UOATARGPHARMA

S56 | UOATARGPHARMA | Target Pharmaceutical/Drug List from University of Athens

A list of reference standards (targets) for liquid chromatography tandem mass spectrometry (LC-MS/MS) from University of Athens containing illicit drugs and pharmaceuticals. Provided by Nikiforos Alygizakis (EI/UoA) and Nikolaos Thomaidis (UoA). DOI: 10.1021/acs.est.6b02417 and DOI: 10.1016/j.scitotenv.2015.09.145. Dataset DOI: 10.5281/zenodo.3248837.

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Rows: 185 Columns: 11 Citations: 2 Downloads: 1398
S95_PFASANEXCH

S95 | PFASANEXCH | PFAS List from the NORMAN PFAS Analytical Exchange Activity

A list from the PFAS Analytical Exchange Activity, part of NORMAN Joint Programme of Activities (JPA) 2021 coordinated by UK Environment Agency. This activity aimed to gain an understanding of the current analytical capability of PFAS, such as Limit of Detection (LOD) in participating international laboratories. Dataset DOI: 10.5281/zenodo.6384309.

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Rows: 94 Columns: 15 Citations: 0 Downloads: 1239