Commit ca44db9b authored by Emma Schymanski's avatar Emma Schymanski
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Updated SLE mapping files

Updated CCL5, added S85 MICROCYSTINS and S86 TATTOOINK thanks to Hiba!
parent 9c111c07
......@@ -82,5 +82,7 @@ https://zenodo.org/record/4744929/files/UACCSCEC_InChIKeys.txt S79 | UACCSCEC |
https://zenodo.org/record/5029174/files/PFASGLUEGE_InChIKeys.txt S80 | PFASGLUEGE | Overview of PFAS Uses An overview of the uses of per- and polyfluoroalkyl substances (PFAS) from Gluege et al (2020) DOI: 10.1039/D0EM00291G. Dataset DOI: 10.5281/zenodo.5029173 PFAS|Use yes high Use information here: https://zenodo.org/record/5029174/files/ESI3_all_uses_wStruct.csv
https://zenodo.org/record/5395357/files/S81_THSTPS_InChIKeys.txt S81 | THSTPS | Thirdhand Smoke Specific Metabolites "A list of thirdhand smoke (THS) specific metabolites (TPs) contributed by Carla Merino, Noelia Ramirez and colleagues, URV, Spain. Dataset DOI: 10.5281/zenodo.5394629" Smoke|TPs yes high work in progress
https://zenodo.org/record/5500132/files/EAWAGPMT_InChIKeys.txt S82 | EAWAGPMT | PMT Suspect List from Eawag "A PMT suspect screening list containing >1100 entries from Kiefer et al (2021), DOI: 10.1016/j.watres.2021.116994. Dataset DOI: 10.5281/zenodo.5500131" PMT no med contains some reference information
https://zenodo.org/record/5533802/files/CCL5_InChIKeys.txt S83 | CCL5 | Contaminant Candidate List CCL 5 (Draft) "The CCL 5 is a (currently draft) list of contaminants that are currently not subject to any proposed or promulgated US primary drinking water regulations, but are known or anticipated to occur in public water systems. From: https://www.epa.gov/ccl/contaminant-candidate-list-5-ccl-5. Dataset DOI: 10.5281/zenodo.5533801" DBP yes med to do
https://zenodo.org/record/5720185/files/CCL5_InChIKeys.txt S83 | CCL5 | Contaminant Candidate List CCL 5 (Draft) "The CCL 5 is a (currently draft) list of contaminants that are currently not subject to any proposed or promulgated US primary drinking water regulations, but are known or anticipated to occur in public water systems. Microcystins are listed in S85. From: https://www.epa.gov/ccl/contaminant-candidate-list-5-ccl-5. Dataset DOI: 10.5281/zenodo.5533801" DBP yes med to do
https://zenodo.org/record/5535288/files/UFZHSFPMT_InChIKeys.txt S84 | UFZHSFPMT | PMT Suspect List from UFZ and HSF "A suspect screening list of 1310 potentially persistent and mobile chemicals from UFZ and HSF, described in Neuwald, Muschket et al. (2021) DOI: 10.1016/j.watres.2021.117645 & 10.5281/zenodo.5503379. Dataset DOI: 10.5281/zenodo.5535287" PMT no med contains some reference information
https://zenodo.org/record/5665356/files/MICROCYSTINS_InChIKeys.txt S85 | MICROCYSTINS | Microcystins from CyanoMetDB "A list of over 300 microcystins extracted from CyanoMetDB (latest version), mostly of natural origin. Provided by L. Janssen, Eawag. Dataset DOI: 10.5281/zenodo.5665355" NP|Toxins no none already contained within CyanoMetDB
https://zenodo.org/record/5710244/files/TATTOOINK_InChIKeys.txt S86 | TATTOOINK | Regulated Tattoo Ink Ingredients as per EU regulation 2020/2081 "A list of regulated ingredients for tattoo ink and permanent make up (https://ec.europa.eu/jrc/en/news/how-safe-are-our-tattoos-and-permanent-makeup), Appendix 13 added to Commission Regulation (EU) 2020/2081, 14 December 2020 amending Annex XVII of REACH (https://eur-lex.europa.eu/eli/reg/2008/1272/oj). Dataset DOI: 10.5281/zenodo.5710243" Tattoo part med Interesting annotation and values
......@@ -27,3 +27,4 @@ Food Relevant for food
Vet Vetenairy drugs
HBM Human biomonitoring
DBP Disinfection byproduct
Tattoo Tattoo ink ingredients
......@@ -85,5 +85,7 @@ https://zenodo.org/record/4744929/files/UACCSCEC_ac1c00142_si_002_TS-5.csv S79_U
https://zenodo.org/record/5029174/files/PFASGLUEGE_Substances.csv S80_PFASGLUEGE S80.0.1.0 25-Jun-21 10.5281/zenodo.5029173 https://www.norman-network.com/nds/SLE/ Substance_ID SMILES InChIKey InChI Name 10.1039/D0EM00291G
https://zenodo.org/record/5395357/files/S81_THSTPS_20210831.csv S81_THSTPS S81.0.1.1 2-Sep-21 10.5281/zenodo.5394629 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|IUPAC_Name
https://zenodo.org/record/5500132/files/EAWAGPMT_SuspectList_Kiefer_et_al2021.csv S82_EAWAGPMT S82.0.1.0 10-Sep-21 10.5281/zenodo.5500131 https://www.norman-network.com/nds/SLE/ MS_ready_SMILES MS_ready_InChIKey InChI Name 10.1016/j.watres.2021.116994
https://zenodo.org/record/5533802/files/CCL5.csv S83_CCL5 S83.0.1.0 28-Sep-21 10.5281/zenodo.5533801 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|Synonym
https://zenodo.org/record/5720185/files/CCL5.csv S83_CCL5 S83.0.1.1 23-Nov-21 10.5281/zenodo.5533801 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|Synonym
https://zenodo.org/record/5535288/files/UFZ_HSF_SuspectList_PM_candidates_210909.csv S84_UFZHSFPMT S84.0.1.0 29-Sep-21 10.5281/zenodo.5535287 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Substance_Name 10.1016/j.watres.2021.117645 | 10.5281/zenodo.5503379
https://zenodo.org/record/5665356/files/MICROCYSTINS.csv S85_MICROCYSTINS S85.0.1.0 10-Nov-21 10.5281/zenodo.5665355 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name
https://zenodo.org/record/5710244/files/TATTOOINK.csv S86_TATTOOINK S86.0.1.0 18-Nov-21 10.5281/zenodo.5710243 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Synonym|EC No|CASRN
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