https://zenodo.org/record/4660126/files/FCCdb_v5_InChIKeys.txt S77 | FCCDB | Food Contact Chemicals Database v5.0 "The Food Contact Chemicals database (FCCdb, DOI: 10.5281/zenodo.3240108) is a compilation of information on over 12,000 intentionally added food contact chemicals extracted from publicly available sources such as legislation or industry inventories for different types of food contact materials and selected sources of hazard information, as described by Groh et al. 2021 (see DOI: 10.1016/j.envint.2020.106225). Structural information for ~6000 entries where clear mappings could be found was added by P. Chirsir into FCCdb Version 5, prior to hosting it on the NORMAN Suspect List Exchange (see Dataset DOI: 10.5281/zenodo.4625495). Further detailed descriptions for each sub-category in the classification tree can be found in the ReadMe tab of the FCCdb spreadsheet file, or in the respective sub-category tooltips ('?' boxes)." Food yes high work in progress
https://zenodo.org/record/4746158/files/SLUPESTTPS_InChIKeys.txt "S78 | SLUPESTTPS | Pesticides and TPs from SLU, Sweden" "Suspect list of pesticides and pesticide transformation products (TPs) from SLU, created based on Sweden's national monitoring program and the pesticide properties database (PPDB) described in Frank Menger et al (2021) DOI: 10.1021/acs.est.1c00466. Dataset DOI: 10.5281/zenodo.4687924" TPs yes high Done
https://zenodo.org/record/4744929/files/UACCSCEC_InChIKeys.txt S79 | UACCSCEC | Collision Cross Section (CCS) Library from UAntwerp A library containing the collision cross section (CCS) values of 311 adducts of 148 contaminants of emerging concern (CECs) and their metabolites measured with drift tube ion mobility high resolution mass spectrometry (in positive and negative ionization modes with N2 as drift gas) as described in Belova et al (2021) DOI: 10.1021/acs.analchem.1c00142. Dataset DOI: 10.5281/zenodo.4704648 CCS|Expt|TPs|Use yes high Done
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/5883217/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/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/4660126/files/FCCdb_FINAL_LIST_v5_wStructures.csv S77_FCCDB S77.0.1.1 2-Apr-21 10.5281/zenodo.4625495 https://www.norman-network.com/nds/SLE/ SMILES InChIKey InChI Name|CAS number or CFSAN id 10.1016/j.envint.2020.106225|10.5281/zenodo.4296944
