NORMAN Suspect List Exchange – NORMAN SLE

Interactive SusDat table 

SusDat with Haz and Expo scores as XLSX, CSV (14/01/2024)

CompTox SUSDAT List

SusDat InChIKeys: All, MS-ready

(14/01/2024)  

NORMAN SusDat is a "living database" of >120,000 structures compiling information provided by NORMAN network members and external contributors via the NORMAN-SLE. Browse the interactive version here.

DOI: 10.5281/zenodo.2664077

CSV, XLSX with Fragments (3/10/2017) 

CompTox MassBank EU Reference List

CompTox MassBank EU Special Cases

CompTox Fragment Download

MassBankEUInChIKeys (17/06/2019)

www.massbank.eu
Stravs et al. 2013.
DOI: 10.1002/jms.3131

DOI: 10.5281/zenodo.2621390

STOFF-IDENT as XLSX, CSV (18/06/2019)

CompTox STOFF-IDENT List

STOFF-IDENT InChIKeys (6/09/2017)

The database enables the search for exact masses from target or unknown lists and the automatic use of a Retention Time Index. See: https://water.for-ident.org/#!home

DOI: 10.5281/zenodo.2621451

LC-MS: CSV, XLSX (3/10/2017)

GC-MS: CSV, XLSX (3/10/2017)

CompTox NORMANCT15 List

LC-MS InChIKeys (31/10/2016)

GC-MS InChIKeys (31/10/2016)

Schymanski et al. 2015.
DOI: 10.1007/s00216-015-8681-7

DOI: 10.5281/zenodo.2621478

Bade et al CSV, XLSX (3/10/2017)

CompTox UJIBADE List

Bade et al InChIKeys

(28/11/2015)

Bade et al 2015, Sci. Tot. Environ. 538: 934-941. 
DOI: 10.1016/j.scitotenv.2015.08.078 

DOI: 10.5281/zenodo.2621916

KWR Suspects CSV, XLSX (3/10/2017)

CompTox KWRSJERPS List

KWR InChIKeys

(15/03/2016)

Sjerps et al. 2016 Water Research 93: 254-264. 
DOI: 10.1016/j.watres.2016.02.034

DOI: 10.5281/zenodo.2621941

Antibiotic CSV, XLSX (3/10/2017)

Antibiotics Step 1 CYP Metabolites CSV, XLSX (02/05/2022)

CompTox ITN ANTIBIOTIC List

Antibiotic InChIKeys

(16/06/2016)

Step 1 CYP Metabolites InChIKeys

(02/05/2022)

A list of antibiotics compiled by Nikiforos Alygizakis (EI/Uni Athens). See e.g. Paulus et al 2019 DOI: 10.1016/j.ijheh.2019.01.004

Suspect list of human phase-I antibiotic metabolites, created with BioTransformer (v3.0.0) provided by Tim Jonkers (VU, NL). Jonkers et al (in prep.)

DOI: 10.5281/zenodo.2621956

Suspect formulas: CSV, XLSX

Plus representative structures: CSV, XLSX (21/11/2020)

CompTox EAWAGSURF List

EAWAGSURF Representative InChIKeys

(21/11/2020)

Schymanski et al. 2014.
DOI: 10.1021/es4044374

DOI: 10.5281/zenodo.2621971

Gago Ferrero et al CSV, XLSX (3/10/2017)

CompTox ATHENSSUS List

UniAthens InChIKeys

(28/01/2016)

Gago-Ferrero et al. 2015. DOI: 10.1021/acs.est.5b03454

DOI: 10.5281/zenodo.2621979

CSV (MassHunter format; 26/11/2015)

XLSX (several sheets; 26/11/2015)

Merged CSV (14/11/2019)

CompTox PFAS TRIER List

PFAS InChIKeys

(26/11/2015)

Kindly supplied by Xenia Trier, David Lunderberg and colleagues.
Reference information contained in files.

DOI: 10.5281/zenodo.2621988

Swiss Pharma CSV, XLSX (3/10/2017)

CompTox SWISSPHARMA List

Pharma MS-ready InChIKeys

(02/05/2017)

Table S2 from Singer et al. 2016.
DOI: 10.1021/acs.est.5b03332

DOI: 10.5281/zenodo.2623484

Swiss Pesticides CSV, XLSX (3/10/2017)

CompTox SWISSPEST List

Pesticide MS-ready InChIKeys

(08/05/2017)

Table S1 from  Moschet et al. 2013.
DOI: 10.1021/ac4021598

DOI: 10.5281/zenodo.2623740

NormaNEWS CSV, XLSX (3/10/2017)

CompTox NORMANEWS List

NormaNEWS InChIKeys

(8/05/2017)

NormaNEWS list provided by Nikiforos Alygizakis, Saer Samanipour and Kevin Thomas. See Alygizakis et al 2018 DOI: 10.1021/acs.est.8b00365

DOI: 10.5281/zenodo.2623815

Merged Cosmetics CSV (4/05/2017)

CompTox EU Cosmetics List

Merged Cosmetics InChIKeys

(4/05/2017)

The scientific committee on cosmetic products and non-food products Intended for consumers - SCCNFP/0389/00 Final and Commission Decision 2006/257/EC amending the Decision 96/335/EC. Provided by Peter von der Ohe, UBA, curated by Reza Aalizadeh, University of Athens.

DOI: 10.5281/zenodo.2624118

KEMI PFAS Full List XLSX, CSV (1/02/2017)

KEMI PFAS Structures XLSX, CSV (3/07/2017)

CompTox KEMI PFAS List

KEMI PFAS InChIKeys

(25/07/2017)

Appendix 2 from Swedish Chemicals Agency KEMI Report 7/15. Provided by Stellan Fischer, KEMI. Registration and mapping to CompTox Dashboard by Antony Williams, US EPA.

DOI: 10.5281/zenodo.2621524

NORMAN Priority CSV (13/7/2017)

CompTox NORMAN Priority List

NORMAN Priority InChIKeys

(16/05/2017)

Priority substances from NORMAN WG-1 (Prioritisation), provided by Valeria Dulio.

DOI: 10.5281/zenodo.2624272

French List CSV (8/05/2017)

CompTox French Monitoring List

French List Unique InChIKeys

(8/05/2017)

Provided by Valeria Dulio, curated by Reza Aalizadeh, University of Athens.

DOI: 10.5281/zenodo.2624324

KEMI Market List MS-ready (12/05/2017)

KEMI Market List XLSX with (12 MB) or without (1MB) structures (29/12/2017), as CSV (06/02/2020)

CompTox KEMI Market List

KEMI Market MS-ready InChIKeys (12/05/2017)

KEMI Market Full InChIKeys 

(29/12/2017, updated 21/11/2019)

Provided by Stellan Fischer, KEMI including Hazard and Exposure scores, documented here. Curated by Reza Aalizadeh, University of Athens. 

DOI: 10.5281/zenodo.2628786

Surfactants XLSX, CSV (25/07/2017)

TSCA PEG XLSX, CSV (25/07/2017)

CompTox TSCA Surfactant List (subset)

Surfactant information compiled from TSCA by James Little while at Eastman Chemical. More information here.

DOI: 10.5281/zenodo.2628791

mzCloud Compounds XLSX, CSV (01/04/2019)

CompTox mzCloud List

mzCloud InChIKeys

(01/04/2019)

List of compounds on the mzCloud mass spectral database, provided by Robert Mistrik, update by Nikiforos Alygizakis.

DOI: 10.5281/zenodo.2628860

Bisphenols

Bisphenols CSV, XLS (01/05/2020)

CompTox Bisphenols List

Bisphenol InChIKeys

(01/05/2020)

Bisphenols available at NILU (Pawel Rostkowski) and from Table 3 of report 5/17 by KEMI (Swedish with English summary). Extended to include exposure scores Jan. 2019 and source information May 2020.

DOI: 10.5281/zenodo.2631744

University of Athens Target List 

Target List CSV, XLSX (8/2/2022) 

CompTox UATHTARGETS List

UoA Targets InChIKeys

(8/02/2022)

List of target substances from University of Athens, provided by Nikiforos Alygizakis. For more see Alygizakis et al. 2019, DOI: 10.1016/j.envint.2019.03.060

DOI: 10.5281/zenodo.2632410

US EPA Consumer Product Suspect List 

Original File XLSX (1/03/2018)
Merged Suspects XLSX (1/03/2018)
Merged Suspects CSV (1/03/2018)

CompTox EPACONS List

Merged Consumer Product InChIKeys

(1/03/2018)

Suspects in supporting information from Phillips et al. 2018, DOI: 10.1021/acs.est.7b04781 - Suspect Screening Analysis of Chemicals in Consumer Products with GCxGC-TOF/MS matched with NIST.

DOI: 10.5281/zenodo.2648758

A compiled list of eco-labeled surfactants from Environmental Institute (EI, SK) and the German Federal Environmental Agency (UBA, DE) assigning chemical structures to UVCB chemicals based on names and prior knowledge. Provided by Nikiforos Alygizakis, EI.

DOI: 10.5281/zenodo.2648764

A set of chemicals listed as neurotoxicants by Grandjean and Landrigan, DOI: 10.1016/S0140-6736(06)69665-7. List provided by Emma Schymanski/Antony Williams.

DOI: 10.5281/zenodo.2648768

OECD PFAS Original List (20/06/2018)
OECD PFAS CompTox XLSX, CSV (22/01/2019)

OECD PFAS Life Apex XLSX (06/05/2019)

CompTox PFASOECD List 

CompTox PFASOECDNA List

OECD PFAS CompTox InChIKeys (22/01/2019)

OECDPFASNA InChIKeys (06/05/2019)

Mycotoxin InChIKeys

(21/06/2018)

A list of mycotoxins and fungal secondary metabolites provided by Justin Renaud and Mark Sumarah (Agriculture and Agri-Food Canada / Government of Canada).

DOI: 10.5281/zenodo.2648815

Table S4 from Sjerps et al. 2016 Water Research 93: 254-264. 
DOI: 10.1016/j.watres.2016.02.034

DOI: 10.5281/zenodo.2648817

All EU Biocide (salts and MS-ready) InChIKeys

(30/07/2018)

Compounds currently used in the EU as biocides (and partly also as PPP or industrial chemicals) or compounds recently banned as biocides from the 2015 NORMAN priority list, which have been prioritized and assessed for exposure by NORMAN using data from ECHA and other sources. Provided by H. Rüdel, Fraunhofer IME.

DOI: 10.5281/zenodo.2648819

PHYTOTOXINS

TPPT Original File (27/06/2018)
TPPT Phytotoxins CSV, XLSX (20/11/2019)

CompTox PHYTOTOXINS List

TPPT InChIKeys

(20/11/2019)

A comprehensive toxic plant-phytotoxin (TPPT) database provided by Günthardt et al 2018, DOI: 10.1021/acs.jafc.8b01639
More information on the Agroscope TPPT website.

DOI: 10.5281/zenodo.2652993

PHENANTIOX

Phenantiox CSV, XLSX (23/01/2019) 

CompTox PHENANTIOX List

Phenantiox InChIKeys

(23/01/2019)

A list of possible phenolic antioxidants with exposure scores compiled by Stellan Fischer (KEMI) and Pawel Rostkowski (NILU). Mapped to CompTox information using CAS numbers.

DOI: 10.5281/zenodo.2653011

WRTMSD

WRTMSD CSV, XLSX (24/01/2019)

CompTox WRTMSD List

WRTMSD InChIKeys

(24/01/2019)

The "Wiley Registry of Tandem Mass Spectral Data, MSforID" contains high-quality tandem MSacquired on a QqTOF instrument, developed by Herbert Oberacher (Medical University of Innsbruck, Austria). More information at www.msforid.com 

DOI: 10.5281/zenodo.2653016

REACH2017

REACH2017 XLSX, CSV (06/11/2020)

CompTox REACH2017 List

A list of >68,600 REACH chemicals including InChIKeys and spectral information, provided by N. Alygizakis and J. Slobodnik, EI. 

DOI: 10.5281/zenodo.2653020

SOLUTIONSMLOS

SOLUTIONSMLOS XLSX, CSV (06/11/2020)

CompTox SOLUTIONSMLOS List

SOLUTIONSMLOS contains the 6462 chemicals used for modelling in the SOLUTIONS project (www.solutions-project.eu/), provided by Jaroslav Slobodnik (EI).

DOI: 10.5281/zenodo.2653022

EXPOSOMEXPL

The Exposome-Explorer (http://exposome-explorer.iarc.fr/) is dedicated to biomarkers of exposure to environmental risk factors for diseases (Neveu et al 2017, DOI: 10.1093/nar/gkw980). Provided by Reza Salek and Vanessa Neveu (IARC), mapping files to all discrete chemicals by A. Williams/E. Schymanski. 

DOI: 10.5281/zenodo.2653031

INDOORCT16

Indoor CT Lists XLSX (14/02/2019)

INDOORCT16 Merged CSV, XLSX (14/02/2019)

CompTox INDOORCT16 List

Lists of GC-MS and LC-MS compounds and DSFP output, plus merged files from the Indoor Dust Collaborative Trial, 2016 provided by Peter Haglund (UMU) and Pawel Rostkowski (NILU). Details in Rostkowski et al. 2019 DOI: 10.1007/s00216-019-01615-6

DOI: 10.5281/zenodo.2653206

UBAPMT as CSV, XLSX (25/04/2022)

CompTox UBAPMT List

UBAPMT InChIKeys

(25/04/2022)

A list of REACH substances that could fulfil proposed (very) Persistent, (very) Mobile and Toxic (PMT/vPvM) criteria according to UBA, Germany and also currently proposed by the European Commission (EC) for the CLP criteria. Derived from a research project by Norwegian Geotechnical Institute (NGI). Updated version provided by Hans Peter Arp, details in UBA Report 126/2019 and in an upcoming 2022 revised version. Funding was provided by the Federal Ministry for the Environment, Nature Conservation, Building and Nuclear Safety of Germany (FKZ3719654080).

DOI: 10.5281/zenodo.2653212

LITMINEDNEURO CSV, XLSX (25/01/2019)

CompTox LITMINEDNEURO List

A list of chemicals associated with neurotoxicity compiled through systematic literature mining of PubMed using MeSH terms, compiled by Nancy Baker, Antony Williams (US EPA) and Emma Schymanski (LCSB), details in Schymanski et al (2019) DOI: 10.1039/C9EM00068B.

DOI: 10.5281/zenodo.2653214

Original File XLSX, CSV (14/02/2019)

CompTox SOLNSLMCTPS List

Predicted Transformation Products calculated by LMC during the SOLUTIONS project, interactive table available here.

DOI: 10.5281/zenodo.2653560

Wastewater Suspect List XLSX, CSV (14/11/2019)

CompTox KEMIWWSUS List

A prioritized list of 1,123 substances relevant for wastewater based on Swedish product registry data, including scores. Provided by Stellan Fischer, KEMI.

DOI: 10.5281/zenodo.2653566

ALGALTOX InChIKeys

(14/02/2019)

List of algal toxins (generated during blooms) from the CompTox Chemicals Dashboard.

DOI: 10.5281/zenodo.2656710

CCL4 InChIKeys

(14/02/2019)

Contaminants that are not (yet) regulated in the USA but are known or anticipated to occur in public water systems; from CompTox. 

DOI: 10.5281/zenodo.2656716

HDXNOEX InChIKeys

(14/02/2019)

Environmental standard set used to investigate hydrogen deuterium exchange in small molecule HRMS (Ruttkies et al. 2019, DOI: 10.1007/s00216-019-01885-0). 

HDXEXCH list also contains observed deuterated species. 

DOI: 10.5281/zenodo.2656724

NEUROTOXINS XLSX, CSV (14/02/2019)

CompTox NEUROTOXINS List

A list of neurotoxicants compiled from public resources, details on CompTox and Schymanski et al. (2019) DOI: 10.1039/C9EM00068B. 

DOI: 10.5281/zenodo.2656729

STATINS XLSX, CSV (14/02/2019)

CompTox STATINS List

STATINS InChIKeys

(14/02/2019)

A list of statins (lipid-lowering medications) compiled from public resources, details on CompTox. 

DOI: 10.5281/zenodo.2656736

SYNTHCANNAB XLSX, CSV (17/06/2019)

CompTox SYNTHCANNAB List

A list of synthetic cannabinoids compounds assembled from public resources, from CompTox. 

DOI: 10.5281/zenodo.2656740

Table 1 from Liu et al as PDF
MS-ready form in XLSX (formatted) and CSV (17/04/2019)

CompTox PFASNTREV19 List

List compiled in the non-target HRMS PFAS review by Liu et al 2019, DOI: 10.1016/j.trac.2019.02.021. MS-ready list prepared by Yanna Liu, Lisa D’Agostino, Emma Schymanski and Jon Martin. Note not all entries have structures.

DOI: 10.5281/zenodo.2656744

Merged ECHA Plastic Additives with Structures XLSX, CSV (06/03/2019)

CompTox ECHAPLASTICS List

List with several categories released on https://echa.europa.eu/mapping-exercise-plastic-additives-initiative and mapped to structures by CAS and Name by E. Schymanski. 

DOI: 10.5281/zenodo.2658139

S48

S49

CPPDBLISTA

CPPdb Original File (List A and B) XLSX (06/03/2019)
Mapped Files (06/03/2019):
Table 2 from Groh et al as XLSX, CSV 
CPPdb List A XLSX, CSV 
CPPdb List B XLSX, CSV

CompTox CPPDBLISTA List
CompTox CPPDBLISTB List

A database of chemicals likely (List A, 903) and possibly (List B, 3353) associated with plastic packaging, with hazard data, from Groh et al 2019 DOI: 10.1016/j.scitotenv.2018.10.015. Mapped to structures by CAS/Name by K. Groh &E. Schymanski. Latest version (last update Oct 2018): DOI: 10.5281/zenodo.1287773

List A DOI: 10.5281/zenodo.2658143
List B DOI: 10.5281/zenodo.2658152

CCS as CSV, XLSX (04/03/2019)

CompTox CCSCOMPEND List

CCS InChIKeys

(29/03/2019)

>3800 experimental collision cross section values (drift tube MS), provided by Jackie Picache and John McLean, Vanderbilt. Further details available here: https://lab.vanderbilt.edu/mclean-group/collision-cross-section-database/

DOI: 10.5281/zenodo.2658162

S51

WRIGCHRMS XLSX, CSV (04/04/2019)

CompTox WRIGCHRMS List

GC-HRMS target list of WRI. The method was established by Agilent. The list was provided by Michal Kirchner (Slovak Water Research Institute, WRI) and curated by Nikiforos Alygizakis (EI/UoA)

DOI: 10.5281/zenodo.2658169

S52

THSMOKE XLSX, CSV (06/05/2019)

CompTox THSMOKE List

THSMOKE InChIKeys

(06/05/2019)

S53

UFZWANATARG InChIKeys – All, LC, GC (11/08/2019)

List of target compounds (LC and GC) measured at WANA, UFZ (Leipzig, Germany), provided by Tobias Schulze and Martin Krauss. 

DOI: 10.5281/zenodo.3365549 

S54

EFSAPRI Full List XLSX (10/06/2019)

EFSAPRI 212 List XLSX, CSV (18/06/2019)

CompTox EFSAPRI List

List of 212 REACH substances prioritized by Oltmanns et al., DOI: 10.2903/sp.efsa.2019.EN-1597, European Food Safety Authority (EFSA). 2,336 compounds were assessed for (i) environmental release, (ii) biodegradation, (iii) bioaccumulation in food/feed and (iv) toxicity, resulting in 212 priority compounds.

DOI: 10.5281/zenodo.3248993

ZINC15PHARMA

Original file with Fragments as CSV, XLSX (06/11/2020)

CompTox ZINC15PHARMA List

A list of >8600 pharmaceuticals retrieved from ZINC15, curated and provided by Reza Aalizadeh, University of Athens. 

DOI: 10.5281/zenodo.3247749

UOATARGPHARMA

Target List CSV, XLSX (18/06/2019)

CompTox UOATARGPHARMA List

LC-MS/MS target list of University of Athens containing illicit drugs and pharmaceuticals. Provided by Nikiforos Alygizakis (EI/UoA) and Nikolaos Thomaidis (UoA).

DOI: 10.1021/acs.est.6b02417, 10.1016/j.scitotenv.2015.09.145, 10.5281/zenodo.3248837

GREEKPHARMA

Suspect Pharmaceuticals from the National Organization of Medicine, Greece

Suspect List CSV, XLSX (18/06/2019)

CompTox GREEKPHARMA List

A pharmaceutical suspect list containing antibiotics, antidepressants, antipsychotics, benzodiazepines, NSAIDs, antilipidemic drugs, antiepileptic drugs, antiulcer drugs, antihypertensive and diuretic drugs, extracted from the National Organization for Medicines of Greece. This is complementary to UOATARGPHARMA. Provided by Katerina Galani (UoA), Nikiforos Alygizakis (EI/UoA) and Nikolaos Thomaidis (UoA).

DOI: 10.5281/zenodo.3248883

PSYCHOCANNAB

Synthetic Cannabinoids and Psychoactive Compounds

PSYCHOCANNAB XLSX, CSV (17/06/2019)

CompTox PSCHYOCANNAB List

A list of synthetic cannabinoids and psychoactive compounds assembled from public resources, from CompTox Chemicals Dashboard. 

DOI: 10.5281/zenodo.3247723

NPINESCT

NPINSECT XLSX, CSV (20/11/2019)

CompTox NPINSECT List

NPINSECT InChIKeys

(20/11/2019)

A list of 83 naturally occurring insecticides curated and provided by Reza Aalizadeh (University of Athens).

DOI: 10.5281/zenodo.3544741

SWISSPEST19

Original file as XLSX (17/11/2019)

SWISSPEST19 as XLSX, CSV (25/04/2020)

CompTox SWISSPEST19 List

Swiss pesticides (plant protection products) and metabolites from Kiefer et al 2019 (Eawag), Tables SI-B 1 and 2.

DOI: 10.1016/j.watres.2019.114972, 10.5281/zenodo.3544759

UJICCSLIB

UJI CCS Library as XLSX, CSV (21/11/2019)

CompTox UJICCSLIB List

UJICCSLIB InChIKeys

(21/11/2019)

A list of 970 collision cross section values from 556 compounds (both positive and negative ionization modes, and N2 as a drift gas using TWIMS-QTOF instrument) provided by Alberto Celma et al. (2020) DOI: 10.1021/acs.est.0c05713, 10.5281/zenodo.3549476

NORMANEWS2

NormaNEWS2: Retrospective Screening of New Emerging Contaminants

NormaNEWS2 as XLSX, CSV (03/02/2020)

CompTox NORMANEWS2 List

NormaNEWS2 InChIKeys (03/02/2020)

List of suspects provided by many contributors to NormaNEWS2, collated by Kevin Thomas and colleagues at UQ. 

DOI: 10.5281/zenodo.3634963

UBADWGW

Substances Detected in Drinking (DW) or Groundwater (GW)

UBADWGW Original File Lists 5-7 as XLSX (04/02/2020)

UBADWGW as XLSX, CSV (04/20/2020)

CompTox UBADWGW List

UBADWGW InChIKeys (04/20/2020)

A list of REACH registered substances (Lists 5-7) detected in drinking (DW) or groundwater (GW) that do not meet PMT criteria. Derived from a research project by Norwegian Geotechnical Institute (NGI). This couples with S36 UBAPMT (Lists 1-4) in the updated version provided by Hans Peter Arp, details in this technical note (UBA Report 126/2019).

DOI: 10.5281/zenodo.3637629

NATOXAQ

NaToxAq: Natural Toxins and Drinking Water Quality - From Source to Tap

NaToxAq as XLSX, CSV (03/03/2020)

CompTox NATOXAQ List

NaToxAq InChIKeys

(03/03/2020)

NaToxAq (https://natoxaq.ku.dk) is a European Training Network (ETN) funded by the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 722493, to produce knowledge about natural toxins in aquatic environments. This is a list of all NaToxAq chemicals registered in MassBank within the project, provided by Tobias Schulze, UFZ.

DOI: 10.5281/zenodo.3695174

S65

UATHTARGETSGC

UATHTARGETSGC XLSX, CSV (23/02/2024)

CompTox UATHTARGETSGC List

UATHTARGETSGC InChIKeys (23/02/2024)

GC-APCI-HRMS target list of University of Athens. Provided by the research group of Prof. Nikolaos Thomaidis (http://trams.chem.uoa.gr/). 

Dataset DOI: 10.5281/zenodo.3753371

S66

EAWAGTPS

Parent-Transformation Product Pairs from Eawag

EAWAGTPS XLSX, CSV (07/02/2024)

CompTox EAWAGTPS List

EAWAGTPS InChIKeys (07/02/2024)

Parent-Transformation Product Pairs of various micropollutants from Eawag: Swiss Federal Institute for Aquatic Science and Technology (https://www.eawag.ch/en/), described in Schollee et al 2017 DOI: 10.1007/s13361-017-1797-6.

Dataset DOI: 10.5281/zenodo.3754448

S67

TBUTYLPHENOLS

List of tert-butyl phenols from KEMI

TBUTYLPHEOLS XLSX, CSV (01/05/2020)

CompTox TBUTYLPHENOLS List

TBUTYLPHENOLS InChIKeys (01/05/2020)

A list of tert-butyl phenols from KEMI (Swedish Chemicals Agency), partner list to BISPHENOLS. Includes exposure score. 

Dataset DOI: 10.5281/zenodo.3779848

S68

HSDBTPS

Transformation Products Extracted from HSDB Content in PubChem

HSDBTPS Structures CSV and Transformations CSV (19/12/2023) 

CompTox HSDBTPS List

HSDBTPS InChIKeys

(19/12/2023)

HSDBTPS is a list of metabolites / transformation products (plus parents) extracted from the "Metabolites/Metabolism" section from HSDB (Hazardous Substance Data Bank) in PubChem (https://pubchem.ncbi.nlm.nih.gov/source/11933). Details in Krier et al. (2022) DOI: 10.1016/j.envint.2021.106885 

Dataset DOI: 10.5281/zenodo.3827487

S69

LUXPEST

Pesticide Screening List for Luxembourg

LUXPEST XLSX, CSV (29/07/2021)

CompTox LUXPEST List

LUXPEST InChIKeys

(28/05/2020)

A pesticide screening list for Luxembourg, compiled from multiple sources by Jessy Krier, described in Krier et al. (2022) DOI: 10.1016/j.envint.2021.106885 

Dataset DOI: 10.5281/zenodo.3862688

S70

EISUSGCEIMS

Environmental Institute GC-EI-MS suspect list

EISUSGCEIMS XLSX, CSV (15/06/2020)

CompTox EISUSGCEIMS List

EISUSGCEIMS InChIKeys (15/06/2020)

GC-EI-MS suspect list of Environmental Institute. Provided by Peter Oswald, Nikiforos Alygizakis, Martina Oswaldova, Jaroslav Slobodnik.

Dataset DOI: 10.5281/zenodo.3894827

CECSCREEN

HBM4EU CECscreen: Screening List for Chemicals of Emerging Concern Plus Metadata and Predicted Phase 1 Metabolites 

CECscreen as XLSX, CSV, README (1/7/2020)

CECscreen Metabolite DB as XLSX, CSV (1/7/2020)

CECscreen CompTox DB as XLSX, CSV (1/7/2020)

CECscreen OPERA Predictions as XLSX, CSV, README (1/7/2020)

CompTox CECSCREEN List

CECscreen InChIKeys

(1/7/2020)

CECscreen Metabolite InChIKeys

(1/7/2020)

CECScreen is part of the HBM4EU project (coord. UBA) > WP16 "emerging chemicals" (lead INRA, JP Antignac/L Debrauwer) > Task 16.1 (lead IRAS, J Vlanderen / R Vermeulen) > Main contributor (J Meijer) >Involved Partners (M Lamoree, T Hamers, S Hutinet, A, Covaci, C Huber, M Krauss, DI Walker, EL Schymanski). Meijer et al (2021) DOI: 10.1016/j.envint.2021.106511. 

Dataset DOI: 10.5281/zenodo.3956586.

NTUPHTW

Pharmaceutically Active Substances Suspect List from National Taiwan University

NTUPHTW as XLSX, CSV (22/7/2020)

CompTox NTUPHTW List

NTUPHTW InChIKeys

(22/7/2020)

A suspect list based on Agilent PCDLs containing pharmaceutically active substances from the College of Public Health, National Taiwan University, kindly provided by Wen-Ling Chen, details in Chen et al (2021) DOI: 10.1016/j.scitotenv.2020.141519

Dataset DOI: 10.5281/zenodo.3955664.

S73

Metabolite Reaction Database from BioTransformer

MetXBioDB substances as CSV (06/11/2020)

MetXBioDB Transformations as CSV (06/11/2020)

CompTox METXBIODB List

MetXBioDB InChIKeys

(06/11/2020)

The Metabolite Reaction Database, MetXBioDB, is a biotransformation database used to improve the knowledge- and machine learning-based systems of BioTransformer (http://biotransformer.ca/) by Djoumbou-Feunang et al (2019), DOI: 10.1186/s13321-018-0324-5.

Dataset DOI: 10.5281/zenodo.4056560

S74

REFTPS

Transformation Products and Reactions from Literature

REFTPS substances as CSV (08/12/2023)
REFTPS Transformations as CSV (08/12/2023)

CompTox REFTPS List (coming soon)

REFTPS InChIKeys

(08/12/2023)

This dataset is for users to contribute transformation products and reactions in the literature to the NORMAN SLE, SusDat and the PubChem Transformations section.

Dataset DOI: 10.5281/zenodo.4318838

S75

CYANOMETDB

Comprehensive database of secondary metabolites from cyanobacteria

CyanoMetDB v02 as XSLX, CSV

CyanoMetDB MetFrag CSV (10/05/2023)

CompTox CYANOMETDB List (19/02/2021)

CyanoMetDB v02 InChIKeys

(10/05/2023)

CyanoMetDB is a comprehensive database of secondary metabolites from cyanobacteria manually curated from primary references described in Jones et al (2021), DOI: 10.1016/j.watres.2021.117017.

Dataset DOI: 10.5281/zenodo.4551528

S76

LUXPHARMA

LUXPHARMA as XSLX, CSV (06/03/2021)

CompTox LUXPHARMA List 

LUXPHARMA InChIKeys (06/03/2021)

Pharmaceuticals marketed in Luxembourg from the CNS, provided by R. Singh et al. (2021) DOI: 10.1021/acsenvironau.1c00008). List downloaded from here.

Dataset DOI: 10.5281/zenodo.4587355.

S77

FCCDB

Food Contact Chemicals Database v5.0

FCCdb as XSLX, CSV (02/04/2021)

CompTox FOODCONTACTSDB List (20/02/2021)

FCCdb InChIKeys

(02/04/2021)

FCCdb contains information on intentionally added food contact chemicals as described by Groh et al. (2020) DOI: 10.1016/j.envint.2020.106225 and DOI: 10.5281/zenodo.4296944, structures added by P. Chirsir (LCSB).

Dataset DOI: 10.5281/zenodo.4625495.

S78

SLUPESTTPS

Pesticides and TPs from SLU, Sweden

SLUPestTPs as XLSX, CSV (14/04/2021)

SLUPestTPs Transformations as CSV (14/04/2021)

CompTox SLUPESTTPS List 

SLUPestTPs InChIKeys

(14/04/2021)

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.

S79

UACCSCEC

Collision Cross Section (CCS) Library from UAntwerp

UACCSCEC as XLSX, CSV (20/04/2021)

CompTox UACCSCEC List 

UACCSCEC InChIKeys

(20/04/2021)

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 (positive and negative ionization, N2 drift gas) as described in Belova et al (2021) DOI: 10.1021/acs.analchem.1c00142.

Dataset DOI: 10.5281/zenodo.4704648.

S80

PFASGLUEGE

Overview of PFAS Uses

Original Files as XLSM ESI-2, ESI-3 

PFAS Substances as XLSX, CSV 

PFAS Use Information (single sheet) as XLSX, CSV (24/06/2021)

CompTox PFASGLUEGE List 

PFASGLUEGE InChIKeys

(24/06/2021)

An overview of the uses of per- and polyfluoroalkyl substances (PFAS) from Glüge et al (2020) DOI: 10.1039/D0EM00291G.

Dataset DOI: 10.5281/zenodo.5029173.

THSTPS

Thirdhand Smoke Specific Metabolites

THSTPS in XLSX, CSV (02/09/2021)

THSTPS Transformations in CSV (02/09/2021)

CompTox THSTPS List 

THSTPS InChIKeys

(02/09/2021)

A list of Thirdhand Smoke (THS) specific metabolites compiled by Carla Merino, Noelia Ramirez and colleagues (IISPV-URV). 

Dataset DOI: 10.5281/zenodo.5394629

EAWAGPMT

EAWAGPMT in XLSX, CSV (10/09/2021)

CompTox EAWAGPMT List 

EAWAGPMT InChIKeys

(10/09/2021)

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

S83

CCL5

Contaminant Candidate List CCL 5 (Draft)

CCL5 in XLSX, CSV (23/11/2021)

CompTox CCL5 List (coming soon…)

CCL5 InChIKeys

(23/11/2021)

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

S84

UFZHSFPMT

PMT Suspect List from UFZ and HSF

UFZHSFPMT in XLSX, CSV (29/09/2021)

CompTox UFZHSFPMT List

UFZHSFPMT InChIKeys (29/09/2021)

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

S85

MICROCYSTINS

MICROCYSTINS from CyanoMetDB

MICROCYSTINS in XLSX, CSV (10/11/2021)

CompTox MICROCYSTINS List (coming soon…)

MICROCYSTINS InChIKeys (10/11/2021)

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

S86

TATTOOINK

TATTOOINK as per EU regulation 2020/2081

TATTOOINK in XLSX, CSV (18/11/2021)

CompTox TATTOOINK List 

TATTOOINK InChIKeys (18/11/2021)

A list of regulated ingredients for tattoo ink and permanent make up, Appendix 13 added to Commission Regulation (EU) 2020/2081, 14 December 2020 amending Annex XVII of REACH.

Dataset DOI: 10.5281/zenodo.5710243

S87

List of chlorination byproducts of 137 CECs and small disinfection byproducts

CHLORINETPS in XLSX, CSV (09/12/2021)

CompTox CHLORINETPS List 

CHLORINETPS InChIKeys (09/12/2021)

A list of chlorination byproducts of 137 contaminants of emerging concern (CECs) and small molecular weight disinfection byproducts from the CHLORINE_TPs database, described in Postigo et al DOI: 10.1016/j.teac.2021.e00148. 91% are amenable to LC-ESI-HRMS.

Dataset DOI: 10.5281/zenodo.5767356

S88

List of Prioritized Biocides from UBA

UBABIOCIDES in XLSX, CSV (09/12/2021)

CompTox UBABIOCIDES List 

A merged list of prioritized biocidal active substances provided by UBA (German Environment Agency) and relevant transformation products, released Sept. 2021 (PDF) and updating UBA Texte 114/2017. 

Dataset DOI: 10.5281/zenodo.5767494

S89

List of PFAS Compiled from NORMAN SusDat

PRORISKPFAS in XLSX, CSV (09/12/2021)

CompTox PRORISKPFAS List 

A compiled list of 4777 PFAS occurring in NORMAN SusDat, created by merging SLE lists S9, S14, S25, S46, and S80 and searching for additional fluorinated content in SusDat. Provided by Kelsey Ng, EI (manuscript in prep.).

Dataset DOI: 10.5281/zenodo.5769582

S90

ZEROPMBOX1

ZeroPM Box 1 Substances

ZeroPM Box 1 as XLSX, CSV (15/01/2022)

CompTox ZEROPMBOX1 List 

ZeroPM Box1 InChIKeys (15/01/2022)

This list contains representative PFAS, triazoles and triazines, the "Box 1" substances to kick-off the H2020 project ZeroPM (https://zeropm.eu).

Dataset DOI: 10.5281/zenodo.5854251

CECTOYS

Chemicals of Emerging Concern (CECs) in plastic toys

CECTOYS in XLSX, CSV (31/01/2022)

CECTOYS InChIKeys

(31/01/2022)

A list of 126 Chemicals of EmergingConcern (CECs) found in plastic toys described in Aurisano et al. The list is categorized into four based on being included in regulatory lists of concern as well as reported hazard index (HI) and child cancer risk (CCR) based criteria. DOI: 10.1016/j.envint.2020.106194.

Dataset DOI: 10.5281/zenodo.5933614

FLUOROPHARMA

List of 340 ATC classified fluoro-pharmaceuticals

FLUOROPHARMA in XLSX, CSV (05/02/2022)

CompTox List FLUOROPHARMA (coming soon…)

A list of 340 fluoro pharmaceuticals classified as per WHO's Anatomical Therapeutic Chemical (ATC) classification based on their medical application, described in Inoue et al DOI: 10.1021/acsomega.0c00830.

Dataset DOI: 10.5281/zenodo.5979647

CECMOUTHING

Chemicals of Emerging Concern (CECs) in children's mouthing exposure

CECMOUTHING Substances in XLSX, CSV (05/02/2022)

CECMOUTHING Values in XLSX, CSV (05/02/2022)

A dataset of 60 Chemicals of Emerging Concern (CECs) and their chemical migration rate into saliva due to mouthing exposure in children studied in Aurisano et. al DOI: 10.1038/s41370-021-00354-0.

Dataset DOI: 10.5281/zenodo.5979673

FLUOROPEST

List of 423 FRAC/HRAC/IRAC classified fluoro-agrochemicals

FLUOROPEST in XLSX, CSV (21/02/2022)

CompTox List FLUOROPEST (coming soon…)

A list of 423 Fungicide Resistance Action Committee (FRAC), Herbicide Resistance Action Committee (HRAC) or Insecticide Resistance Action Committee (IRAC) classified fluoro-agrochemicals based on their chemotype and mode of action, described in Ogawa et al DOI: 10.1016/j.isci.2020.101467.

Dataset DOI: 10.5281/zenodo.6201559

S95

PFASANEXCH

PFAS List from the NORMAN PFAS Analytical Exchange Activity

PFASANEXCH in XLSX, CSV (25/03/2022)

PFASANEXCH InChIKeys (25/03/2022)

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 as Limit of Detection (LOD) in participating international laboratories.

Dataset DOI: 10.5281/zenodo.6384309

S96

ECIPFAS

Updatable List to add PFAS Structures to Public Resources from ECI (UniLu)

ECIPFAS in XLSX, CSV (28/03/2022)

ECIPFAS InChIKeys
(28/03/2022)

This dataset is for users to contribute PFAS from the literature or other documents to the NORMAN SLE, SusDat and PubChem (to fill database gaps).

Dataset DOI: 10.5281/zenodo.6389740

S97

UBABPAALT

A list of Bisphenol A alternatives provided by UBA (German Environment Agency) from UBA Report 123/2019.

Dataset DOI: 10.5281/zenodo.6405325

TIRECHEM InChIKeys 

(13/05/2024)

This list includes tire-related chemicals found in the environment plus analytical data from literature studies and will be expanded as new data is published.

Dataset DOI: 10.5281/zenodo.6405358

S99

ANSESEDC

List of potential endocrine disrupting compounds (EDCs) from ANSES

ANSESEDC as XLSX, CSV (29/11/2022)

ANSESEDC InChIKeys (29/11/2022)

A list of 908 potential endocrine disrupting compounds (EDCs) from ANSES to be assessed for their endocrine disrupting properties under France’s Second National Endocrine Disruptor Strategy (SNPE 2). List kindly provided by Sandrine Andres, INERIS.

Dataset DOI: 10.5281/zenodo.7375702

S100

PFASREACH

List of PFAS identified in REACH 2019

PFASREACH as XLSX, CSV (14/12/2022)

PFASREACH InChIKeys (14/12/2022)

A List of PFAS covered under REACH Reg. (EC) No 1272/2008 in September 2019. Collaborative effort between Hans Peter Arp (NGI) and Emma Schymanski (LCSB) within ZeroPM (EU H2020 grant 101036756).

Dataset DOI: 10.5281/zenodo.7436202

S101

MTMDUST

List of chemicals characterised in indoor dust samples

MTMDUST as XLSX, CSV (16/11/2022)

MTMDUST InChIKeys (16/11/2022)

A list of 300 chemicals characterised with identification confidence level of ≥ 3 found in retrospective analysis of 30 dust samples from 4 different indoor settings described in Dubocq et al. (2022).

DOI: 10.20517/jeea.2022.23

Dataset DOI: 10.5281/zenodo.7327063

S102

List of PFAS from PARC WP4

PARCPFAS as XLSX, CSV (27/01/2023)

PARCPFAS InChIKeys

(27/01/2023)

A list of PFAS prioritized by Work Package 4 (WP4, Task 4.2) in the European Partnership for the Assessment of Risks from Chemicals (PARC), provided by Stefano Polesello and Sara Valsecchi, IRSA-CNR, Italy.

Dataset DOI: 10.5281/zenodo.7576113 

NORMANUVCB

NORMAN Dataset of Curated UVCB Mappings

NORMANUVCB as XLSX (all) or CSV (Chemicals, UVCBs, Products) (27/06/2023)

NORMANUVCB InChIKeys (27/06/2023)

A curated NORMAN Network effort to provide information for substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs).

Dataset DOI: 10.5281/zenodo.7414795

S104

UKVETMED

UK Veterinary Medicines Directorate's List

UKVETMED as XLSX, CSV (05/04/2022)

UKVETMED InChIKeys (05/04/2022)

UK Veterinary Medicines Directorate's list of all veterinary medicines permitted for use in the UK kindly compiled as follow-up to the Prioritisation and Early Warning System (PEWS) for chemicals of emerging concern in England by Samuel Fletcher, Veterinary Medicines Directorate (UK) and provided by Kerry Sims, Environment Agency (UK), Dataset DOI: 10.5281/zenodo.7802120

S105

P65CHEM

Californian Proposition 65 warning list of chemicals

P65CHEM as XLSX, CSV (07/04/2023)

P65CHEM InChIKeys

(07/04/2023)

Proposition 65 warning list of chemicals published by the California Office of Environmental Health Hazard Assessment.

DOI: 10.5281/zenodo.7808219

S106

AQUAlity19

EU AQUAlity's water analysis list 2019

List of compounds found in surface and wastewater sampling within the European project AQUAlity2019 funded by the European Union under the Marie Skłodowska-Curie Actions (MSCA) –  Innovative Training Networks (Call: H2020-MSCA-ITN-2017) Project N. 765860.

The list was kindly provided by Azziz Assoumani, INERIS.

Dataset DOI: 10.5281/zenodo.8101975

S107

AQUAlity20

AQUAlity20 as XLSX, CSV (01/07/2023)

List of compounds found in surface and wastewater sampling within the European project AQUAlity2020 funded by the European Union under the Marie Skłodowska-Curie Actions (MSCA) –  Innovative Training Networks (Call: H2020-MSCA-ITN-2017) Project N. 765860.

The list was kindly provided by Azziz Assoumani, INERIS.

Dataset DOI: 10.5281/zenodo.8102040

S108

SIN (Substitute It Now) list of hazardous chemicals by ChemSec

SINLIST as XLSX, CSV (08/05/2024)

SINLIST InChIKeys 

(08/05/2024)

SIN (Substitute It Now) list of hazardous chemicals used in a wide variety of articles, products and manufacturing processes around the globe developed by the non-profit ChemSec.

The list was kindly provided by Anna Lennquist (ChemSec, Sweden) and Hans Peter Arp (NGI, NTNU, Norway).

Dataset DOI: 10.5281/zenodo.8109044

PARCEDC as XLSX, CSV 

(08/04/2024)

PARCEDC InChIKeys 

(08/04/2024)

A comprehensive list of 7074 endocrine disruptors compiled by PARC T4.2., including assessments by EU and national regulators, NORMAN SusDat and more, complemented with VEGA and ToxCast models and data. List provided by Sandrine Andres and Valeria Dulio, INERIS.

Dataset DOI : 10.5281/zenodo.10944199

S110

DUTCHUSE

Dutch Prioritized Chemical Use Categories

DUTCHUSE as XLSX, CSV 

(04/10/2023)

DUTCHUSE InChIKeys (04/10/2023)

List of 1700+ compounds and their use categories assigned within a Dutch prioritization exercise.

This list is a translation of the file kindly provided by Anja Derksen, AD eco advies.

Dataset DOI: 10.5281/zenodo.8406129

S111

Fluorine-containing Compounds in PMT Suspect Lists

PMTPFAS as XLSX, CSV

(07/10/2023)

PMTPFAS InChIKeys

(07/10/2023)

List of fluorine-containing compounds extracted from existing suspect lists for PMT (persistent, mobile, toxic) compounds, currently S36 UBAPMT, S82 EAWAGPMT and S84 UFZHSFPMT. 

Dataset DOI: 10.5281/zenodo.8417075

S112

List of Migrating & Extractable Food Contact Chemicals (FCCmigex) by FPF

FCCMIGEX InChIKeys 

(22/01/24)

List of migrating and extractable food contact chemicals (FCCmigex) by the Food Packaging Forum from Geueke et al (2023) DOI: 10.1080/10408398.2022.2067828 and available as browseable FCCMIGEX database, provided by Birgit Geueke & Lindsey Parkinson (FPF, CH). 

Dataset DOI: 10.5281/zenodo.10551195

S113

2024 Swiss Pharmaceutical List with Metabolites

SWISSPHARMA24 as XLSX, CSV (13/01/2024)

SWISSPHARMA24 InChIKeys (13/01/2024)

A list of 268 pharmaceuticals compiled based on Swiss use data, complemented with 1546 metabolites based on literature search. Provided by Corina Meyer, Eawag, Switzerland.

Dataset DOI: 10.5281/zenodo.10501044

Antimicrobial Transformation Products from SLU

SLUAMTPS as XLSX, CSV

Substances as CSV

(02/02/2024)

SLUAMTPS InChIKeys 

(02/02/2024)

A list of 3500 antimicrobial transformation products (TPs) based on a current list of registered antibiotics, several prediction mechanisms and the Löffler et al. 2023 review findings (DOI:10.1021/acs.est.2c09854). Contributed by Paul Löffler, SLU.

Dataset DOI : 10.5281/zenodo.10611137

EQS Directive and Watch List for GC from Environmental Institute

EIEQSDWLGC as XLSX, CSV

(23/02/2024)

EIEQSDWLGC InChIKeys 

(23/02/2024)

A list of 119 GC amenable compounds from the EQS Directive (2013/39/EU) and its proposed update ((COM(2022) 540 final). List kindly provided by Peter Oswald, EI.

REFCCS as CSV

Substances as CSV

(08/04/2024)

REFCCS InChIKeys 

(08/04/2024)

This dataset is an entry point for users to contribute collision cross section values from the literature for addition to the NORMAN SLE, SusDat and the PubChem Collision Cross Section annotations.

Dataset DOI : 10.5281/zenodo.10939882

PFASFCCDB

PFASFCCDB as XLSX, CSV

(25/04/2024)

PFASFCCDB InChIKeys 

(25/04/2024)

A list of 140 PFAS from the Food Contact Chemical database (FCCdb see S77) referenced in Phelps et al (2024) (DOI: 10.1021/acs.est.3c03702)

PFASFCCMIGEX as XLSX, CSV

(30/04/2024)

PFASFCCMIGEX InChIKeys 

(30/04/2024)

68 PFAS in migrating and extractable food contact chemicals (FCCmigex see S112) by the Food Packaging Forum referenced in Phelps et al (2024) (DOI: 10.1021/acs.est.3c03702).

Dataset DOI: 10.5281/zenodo.11090483

PLASTCHEM as XLSX, CSV

PLASTCHEM InChIKeys

List of plastic chemicals contained in Plastchem report and database (version 1.0, 2024)

Dataset DOI: 10.5281/zenodo.13834058

DUSTCT2024 as XLSX, CSV

(24/09/2024)

DUSTCT2024 InChIKeys 

(24/09/2024)

List of substances detected via GC-MS and LC-MS from the second NORMAN collaborative dust trial initiated in 2020, including classification and detection information as described in Haglund et al (submitted 2024).

Dataset DOI: 10.5281/zenodo.13835254