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In recent years, there has been a paradigm shift in chemical analysis, which has been possible with the introduction of chromatography in combination with high-resolution accurate mass spectrometry (for example QTOF or Orbitrap). This means that the analyzes can to a greater extent be used to detect new chemicals in, for example, environmental samples, without having decided in advance what to look for. This opens up a field with extreme potential in relation to environmental monitoring and in extension of this also in relation to the possibility of starting the regulation process for new substances that constitute a potential health and/or environmental hazard.
Under the Nordic Screening Group (www.nordicscreening.org), and with support from the Nordic Chemical Group (NKG) and the Nordic Marine Group (HAV), a suspect screening analysis was performed in 2015 and 2016, which was based precisely on such sophisticated analysis methods just mentioned. The results were published by Schlabach and co-workers in the TemaNord 2017:561 report (Schlabach et al. 2017).
By using these advanced chemical analyzes methods, a large amount of data is generated, as was the case for the Nordic Screening project (Schlabach et al. 2017). However, the interpretation possibilities of this data are currently limited by databases that have largely been institution-specific, in addition to often being instrument-specific by proprietary software, and of course by the availability of resources in the form of man-hours. There is a great deal of work involved in interpreting analysis data in relation to which chemical substances they represent, and this is the background for this current project. There is a wealth of data on chemical substances in the Nordic samples – but it has only been possible to unambiguously identify a small part of these. Another need in relation to optimal use of this data is the need of a description of the identified substance in relation to whether it is a natural or an anthropogenic from the technosphere.
The purpose of this project is to optimize the benefits of the major work that has already been done with careful sample selection and sampling in all of the Nordic countries, with meticulous sample preparation and chemical analysis by a consortium of some of the Nordic region’s most experienced scientific groups in analyses of emerging environmental contaminants. But where perhaps the full potential of the generated data is still to be realized. This project will dig deeper into the data material and try to further identify and describe the substances already detected, to be able to better understand what substances we in modern Nordic societies release into the sea via our wastewater.
The work was divided into the following tasks:
Because this project mainly consists of data analysis and data curation of list by matching to different types of databases, the results are mainly presented as data tables. Thus, this report can be viewed as a data appendix to the initial report by Schlabach et al. (2017).
Further, all the data presented in this report are available on GitHub (https://github.com/umhvorvisstovan/NKG_Maximising_output_from_non_target_screening).
The analysis and identification of compounds in the environmental matrices may be described as a tiered approach as described by Schymanski et al. (2015). In this approach the identification is classified to a levels degree, where the results of non-target screening may be ranked from low confidence data (Level 5) to high confidence data (Level 1), where Level 1 and 2 corresponds to the confidence level normally aspired to in standard monitoring analysis of environmental contaminants. The knowledge gained at the various levels corresponds to:
Level 1: confirmed structure of the molecule (based on reference standard)
Level 2: a probable structure (based in library/diagnostic evidence)
Level 3: a tentative candidate compound
Level 4: an unequivocal molecular formula (but insufficient evidence of structure)
Level 5: a (molecular/ion) mass
In the present work, the aim has been to identify as many compounds as possible to Level 1, 2 and 3.
The work was divided into the following tasks:
Because this project mainly consists of data analysis and data curation of list by matching to different types of databases, the results are mainly presented as data tables. Thus, this report can be viewed as a data appendix to the initial report by Schlabach et al. (2017).
Further, all the data presented in this report are available on GitHub (https://github.com/umhvorvisstovan/NKG_Maximising_output_from_non_target_screening).
The analysis and identification of compounds in the environmental matrices may be described as a tiered approach as described by Schymanski et al. (2015). In this approach the identification is classified to a levels degree, where the results of non-target screening may be ranked from low confidence data (Level 5) to high confidence data (Level 1), where Level 1 and 2 corresponds to the confidence level normally aspired to in standard monitoring analysis of environmental contaminants. The knowledge gained at the various levels corresponds to:
Level 1: confirmed structure of the molecule (based on reference standard)
Level 2: a probable structure (based in library/diagnostic evidence)
Level 3: a tentative candidate compound
Level 4: an unequivocal molecular formula (but insufficient evidence of structure)
Level 5: a (molecular/ion) mass
In the present work, the aim has been to identify as many compounds as possible to Level 1, 2 and 3.
Figure 1.1 depicts the sampling stations, samples were collected in the fall of 2015 in Greenland (GL), Iceland (IS), Faroe Islands (FO), Norway (NO), Denmark (DK), Sweden (SE), and Finland (FI). Further information on each sample can be found in Table 5.1 in Appendix 5 and in the initial study (Schlabach et al. 2017).
Figure 1.1 Sampling stations
The compounds detected by the GCxGC-MS (in biota) will be quantified to the extent possible (without internal standards per se, i.e., crude estimate from peak area).
First estimation A first semi-quantification was performed based on area ratios of the most abundant ions in GC-MS spectra (the base peak) of sample components and internal standards. The internal standards were added in known amounts and the concentration of the biota contaminants were obtained by multiplying this quantity by the area ratio and dividing by the sample weight.
Methodology improvement However, often the contaminants were fragmenting more in the GC-MS instrument than the internal standards, leading to an underestimation of the concentrations.
Therefore, new calculations have been performed using a correction factor, see Equation (2.1)
The corrected concentrations were then obtained by multiplying the first concentration estimates by the correction factor.
The results of the refined estimate of the concentration of the substances which previously had been analyzed using semi-quantitative methods and were identified to the level 2 and 3 (Schlabach et al. 2017), are shown in Table 2.1. The refined estimate is based on correction factors as described in the Methods section. The correction factor and new concentration estimates for each sample are given in Table 2.1. The refined estimate is based on correction factors which range between 0.8 and 6.7, with an average of 2.1. Thus, the new concentrations are generally twice as high as the previous concentrations. Larger deviations were mainly observed for fragile molecules, such as fatty acids, fatty acid methyl esters, hydrocarbons, and long-chain aldehydes. However, also PCBs had previously been underestimated due to their abundant natural isotope ion distribution clusters.
Table 2.1 Results of the improved methodology in semi-quantification of the GC-MS detected compounds in the biota samples
Molecular Formula | Name | CAS | Norman SusDat ID | Corr. Factor | GL | IS | FO | NO | DK | SE | FI |
New concentration (ng/g) | |||||||||||
C8H12O | (E,E)-3,5-Octadien-2-one | 30086-02-3 | 1.90 | 310 | 163.0 | 308 | 618.0 | 1,320.0 | 1,324 | 1,118.0 | |
C10H22O3 | 1-(2-Butoxy-1-methylethoxy) propan-2-ol | 29911-28-2 | NS00002704 | 1.10 | 4.0 | ||||||
C9H10O3 | 1-(2,4-Dihydroxy-3-methylphenyl) ethanone | 10139-84-1 | 1.00 | 7.6 | 36.0 | ||||||
C9H10O3 | 1-(2,4-Dihydroxy-3-methylphenyl) ethanone | 10139-84-1 | 0.95 | 42.0 | |||||||
C9H10O3 | 1-(2,4-Dihydroxy-3-methylphenyl) ethanone | 10139-84-1 | 0.98 | 187 | 88.0 | ||||||
C14H14 | 1,1'-Biphenyl, 2,3'-dimethyl- | 611-43-8 | 2.20 | 82.0 | 94 | 52.0 | |||||
C14H14 | 1,1'-Biphenyl, 2,4'-dimethyl- | 611-61-0 | 2.00 | 34.0 | 38 | 25.0 | |||||
C7H5NS | 1,2-Benzisothiazole | 272-16-2 | 1.20 | 1,570 | 48 | 555.0 | |||||
C13H16 | 1,2-Dihydro-1,1,6-trimethylnaphthalene | 30364-38-6 | NS00022016 | 1.80 | 179 | 11 | 4.8 | ||||
C13H18 | 1,2,3,4-Tetrahydro-1,6,8-trimethylnaphthalene | 30316-36-0 | 1.20 | 76 | |||||||
C7H8O2 | 1,3-Benzenediol, 5-methyl- | 504-15-4 | NS00032059 | 1.40 | 52.0 | 18 | |||||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 3.30 | 445 | 1,067 | 1,779.0 | ||||
C23H40O3 | 11-(3,4-Dimethyl-5-pentyl-2-furyl)- dodecanoic acid, methyl ester | 71041-49-1 | 1.30 | 219 | 9,103.0 | 2,131.0 | 1,330.0 | 765 | 408.0 | ||
C21H36O3 | 11-(3,4-Dimethyl-5-propyl-2-furyl)- undecanoic acid, methyl ester | 86879-46-1 | 1.10 | 54 | 1,596.0 | 465.0 | 115 | 67.0 | |||
C21H36O3 | 11-(3,4-Dimethyl-5-propyl-2-furyl)- undecanoic acid, methyl ester | 86879-46-1 | 1.00 | 646.0 | |||||||
C9H8O1 | 1H-Inden-1-one, 2,3-dihydro- | 83-33-0 | NS00038249 | 1.90 | 80.0 | 91 | |||||
C8H7N1S2 | 2-(Methylthio) benzothiazole | 615-22-5 | NS00007832 | 2.30 | 24.0 | 72.0 | 60 | ||||
C16H34O3 | 2-[2-(Dodecyloxy) ethoxy]ethanol | 3055-93-4 | NS00013814 | 3.20 | 1,653 | ||||||
C12H22 | 2-Ethyldecahydronaphthalene, (Z,E)- | 66660-41-1 | 2.10 | 2,192.0 | 50 | ||||||
C9H8O3 | 2-Hydroxy-5-methylisophthalaldehyde | 7310-95-4 | NS00037473 | 1.60 | 12 | ||||||
C7H5N1S2 | 2-Mercaptobenzothiazole | 149-30-4 | NS00000568 | 1.10 | 461.0 | ||||||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 1.40 | 4.6 | ||||||
C8H10O2 | 2-Phenoxyethanol | 122-99-6 | NS00002984 | 1.50 | 8.7 | ||||||
C9H8O | 2-Phenylpropenal | 4432-63-7 | NS00076572 | 1.50 | 15 | 30.0 | 41.0 | 4.9 | |||
C11H16O2 | 2(4H)-Benzofuranone, 5,6,7,7a- tetrahydro-4,4,7a-trimethyl-, (R)- | 17092-92-1 | 2.10 | 242 | 55.0 | ||||||
C11H16O2 | 2(4H)-Benzofuranone, 5,6,7,7a- tetrahydro-4,4,7a-trimethyl-, (R)- | 17092-92-1 | 2.00 | 104.0 | |||||||
C14H8N2S2 | 2,2'-Bibenzothiazole | 4271-09-4 | 1.30 | 37.0 | |||||||
C12H3Cl7 | 2,2',3,3',4,4',5-Heptachloro-1,1'- biphenyl (PCB 170) | 35065-30-6 | NS00114249 | 3.30 | 69.0 | 7.4 | |||||
C12H5Cl5 | 2,2',3,4,6-Pentachlorobiphenyl | 55215-17-3 | 3.60 | 78.0 | 26 | 17.0 | |||||
C12H6Cl4 | 2,2',5,5'-Tetrachlorobiphenyl (PCB 52) | 35693-99-3 | NS00001956 | 2.10 | 100 | 180.0 | 175 | 79.0 | 61.0 | 35 | 33.0 |
C15H28 | 2,2,4,4,7,7-Hexamethyloctahydro-1H-indene | 54832-83-6 | 7.00 | 2,144.0 | 436 | ||||||
C12H5Cl5 | 2,3',4,4',5-Pentachlorobiphenyl (PCB 118) | 31508-00-6 | NS00001962 | 3.60 | 186.0 | ||||||
C12H4Cl6 | 2,3',4,4',5,5'-Hexachlorobiphenyl (PCB 167) | 52663-72-6 | NS00099486 | 3.30 | 254.0 | 21.0 | |||||
C12H22 | 2,3-Dimethyldecahydronaphthalene | 1008-80-6 | 2.60 | 46,944.0 | 87 | ||||||
C12H5Cl5 | 2,3,3',4,4'-Pentachlorobiphenyl (PCB 105) | 32598-14-4 | NS00114177 | 2.20 | 103.0 | 101.0 | |||||
C12H4Cl6 | 2,3,3',4,5',6-Hexachlorobiphenyl | 74472-43-8 | 3.70 | 308.0 | 612.0 | 22 | 29.0 | ||||
C16H20 | 2,6-Diisopropylnaphthalene | 24157-81-1 | NS00010761 | 2.30 | 105.0 | 11.0 | |||||
C9H12O2 | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione | 1125-21-9 | NS00010663 | 1.50 | 11 | 21.0 | 309 | 153.0 | |||
C13H20O | 3-Buten-2-one, 4- (2,6,6-trimethyl-1-cyclohexen-1-yl)- | 14901-07-6 | NS00075791 | 1.80 | 415 | 178.0 | 210.0 | 347.0 | |||
C12H24O3 | 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate | 74367-34-3 | 2.10 | 68 | 132.0 | 111 | 118.0 | 83.0 | 49 | 67.0 | |
C7H7NO2 | 3-Methyl-2-vinylmaleimide | 21494-57-5 | 1.30 | 13.0 | |||||||
C8H16O | 3,4-dimethylcyclohexan-1-ol | 5715-23-1 | NS00046141 | 2.80 | 1,250 | 223.0 | 94 | 422.0 | 548.0 | 75 | |
C8H10O1 | 4-Ethylphenol | 123-07-9 | NS00010739 | 1.00 | 7.9 | ||||||
C14H14 | 4,4'-Dimethylbiphenyl | 613-33-2 | NS00034646 | 2.00 | 21.0 | 23 | 17.0 | ||||
C6H8O3 | 5-acetyldihydrofuran-2 (3H)-one | 29393-32-6 | NS00049070 | 1.00 | 10.0 | 56 | 17.0 | ||||
C14H26O2 | 9-Tetradecenoic acid, (9Z)- | 544-64-9 | NS00020426 | 6.70 | 22,039 | 24,996.0 | 23,201.0 | 20,693.0 | 22,395 | 11,211.0 | |
C17H28 | BENZENE, (1-BUTYLHEPTYL)- | 4537-15-9 | NS00095862 | 1.20 | 1,530.0 | 58 | |||||
C18H30 | BENZENE, (1-PENTYLHEPTYL)- | 2719-62-2 | NS00008712 | 1.30 | 1,056.0 | 152 | |||||
C14H14O | Benzene, 1-methyl-2-(phenylmethoxy)- | 19578-70-2 | 0.79 | 83.0 | |||||||
C14H14O | Benzene, 1-methyl-2-(phenylmethoxy)- | 19578-70-2 | 0.80 | 100 | 74.0 | ||||||
C15H13N1 | Benzenepropanenitrile, .beta.-phenyl- | 61310-06-3 | NS00010691 | 1.10 | 54.0 | ||||||
C7H6O2 | Benzoic acid | 65-85-0 | NS00008785 | 2.00 | 272 | 116.0 | 180 | 1,100.0 | 88.0 | 293 | 212.0 |
C20H32O2 | Benzoic acid, tridecyl ester | NS00076546 | 1.70 | 8.3 | |||||||
C13H10O1 | Benzophenone | 119-61-9 | NS00010632 | 1.50 | 40.0 | ||||||
C7H5N1S1 | Benzothiazole | 95-16-9 | NS00000291 | 1.20 | 374 | 2,234.0 | 495.0 | 300 | 216.0 | ||
C7H5N1O1S1 | Benzothiazolone | 934-34-9 | NS00008199 | 1.70 | 101 | 89.0 | 23 | ||||
C9H10O2 | Benzyl acetate | 140-11-4 | NS00002107 | 2.30 | 91.0 | 170.0 | 171.0 | ||||
C13H20O1 | beta-Ionone | 79-77-6 | NS00001727 | 2.40 | 346 | ||||||
C15H24 | Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl- | 242794-76-9 | 5.20 | 15 | 1,284.0 | 135 | |||||
C8H10N4O2 | Caffeine | 58-08-2 | NS00000273 | 1.80 | 80 | ||||||
C18H26O1 | Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- hexahydro-4,6,6,7,8,8-hexamethyl- | 1222-05-5 | NS00008760 | 1.80 | 108.0 | 196 | 217.0 | 77 | |||
C11H20 | Decahydro-2- methylnaphthalene | 2958-76-1 | NS00096217 | 3.00 | 11,251.0 | 277 | |||||
C8H8O2 | Ethanone, 2-hydroxy-1- phenyl- | 582-24-1 | NS00022418 | 1.40 | 12 | ||||||
C11H18O4 | Fumaric acid, ethyl 3- methylbut-2-yl ester | 0.89 | 89 | 60.0 | 117.0 | 215.0 | |||||
C11H18O4 | Fumaric acid, ethyl 3- methylbut-2-yl ester | 0.90 | 239 | ||||||||
C11H18O4 | Fumaric acid, ethyl 3- methylbut-2-yl ester | 0.91 | 134 | 97.0 | |||||||
C17H34O | Hexadecanal, 2-methyl- | 55019-46-0 | 5.90 | 23 | 52 | 20 | 1,389.0 | ||||
C19H40O2Si | Hexadecanoic acid, trimethylsilyl ester | 55520-89-3 | 2.80 | 910 | 2,407.0 | 397 | 1,310.0 | 747.0 | 891 | 1,357.0 | |
C9H10O2 | m-Cresyl acetate | 122-46-3 | NS00012122 | 2.20 | 324 | ||||||
C6H11N1O2 | Morpholine, 4-acetyl- | 1696-20-4 | NS00009993 | 2.10 | 13.0 | 8.1 | |||||
C5H9NO2 | N-Formylmorpholine | 4394-85-8 | NS00105320 | 2.90 | 42 | 42.0 | 75 | 52.0 | 42.0 | 46 | 56.0 |
C18H38O2Si | n-Pentanoic acid, trimethylsilyl ester | 74367-22-9 | 2.80 | 412 | 3,915.0 | 316 | 1,205.0 | 515.0 | 586.0 | ||
C10H21N1O1 | N,N-Dimethyloctanamide | 1118-92-9 | NS00009475 | 1.80 | 52.0 | 10.0 | |||||
C10H8 | Naphthalene | 91-20-3 | NS00008377 | 1.00 | 4.1 | ||||||
C15H22 | naphthalene, 1,2,3,4- tetrahydro-1,6-dimethyl-4- (1-methylethyl)-, (1s-cis)- | 483-77-2 | NS00095902 | 1.20 | 40.0 | ||||||
C18H37NO | Octadecanamide (branched) | 1.00 | 458.0 | ||||||||
C16H33N1O1 | Palmitamide | 629-54-9 | NS00014846 | 0.89 | 135 | 408.0 | 129.0 | 101.0 | |||
C9H10O2 | Paroxypropione | 70-70-2 | NS00003309 | 1.20 | 22 | 183 | 51.0 | 27 | 5.5 | ||
C12H12O5 | Phenacylidene diacetate | 5062-30-6 | 0.89 | 15.0 | 51.0 | ||||||
C12H12O5 | Phenacylidene diacetate | 5062-30-6 | 0.92 | 33 | 23.0 | ||||||
C14H10 | Phenanthrene | 85-01-8 | NS00009484 | 1.00 | 37 | 21.0 | |||||
C8H6O2 | Phenylglyoxal | 1074-12-0 | NS00023460 | 1.70 | 41 | 60.0 | 46.0 | 32 | 75.0 | ||
C24H38O4 | Phthalic acid, di (2-propylpentyl) ester | 1.20 | 490 | 3,118.0 | 370.0 | ||||||
C24H38O4 | Phthalic acid, di (6-methylhept-2-yl) ester | 1.20 | 372 | 567.0 | |||||||
C23H36O4 | Phthalic acid, hept-3-yl octyl ester | 1.10 | 463.0 | 275 | |||||||
C15H22O3 | Salicylic acid, butyl ether, butyl ester | 1.40 | 17 | 16.0 | 5.3 | ||||||
C17H25NO4 | Succinic acid, 2- (dimethylamino)ethyl 4-isopropylphenyl ester | 0.84 | 190.0 | 382.0 | 1,374 | 145.0 | |||||
C17H25NO4 | Succinic acid, 2- (dimethylamino)ethyl 4-isopropylphenyl ester | 0.80 | 136 | ||||||||
C10H14O2 | tert-Butylhydroquinone | 1948-33-0 | NS00010294 | 1.90 | 127 | 192.0 | 166.0 | 118 | 117.0 | ||
C17H36O2Si | Tetradecanoic acid, trimethylsilyl ester | 18603-17-3 | 3.20 | 5,138 | 5,972.0 | 5,837 | 7,850.0 | 1,522.0 | 2,842 | 1,922.0 | |
C11H20 | trans-Decalin, 2-methyl- | 958-76-1 | 4.10 | 6,452.0 | |||||||
C11H20 | trans-Decalin, 2-methyl- | 958-76-1 | 4.00 | 137 | |||||||
C9H18Cl3O4P1 | Tris(2-chloroisopropyl) phosphate (TCPP) | 13674-84-5 | NS00009572 | 3.20 | 62 | 40.0 | 13.0 | 17 | 26.0 |
By filtering the chemicals registered with knowledge on industrial application and chemical physical characteristics, it is possible to extract more information about a compound identified to molecule level. The Swedish Chemicals Agency has produced a tool for identifying chemical compounds based on chemical registers of governmental organizations of EU, USA, China, Australian and others in addition the chemicals in commerce registry of the Swedish Chemicals Agency, see Figure 3.1. The tool merges info from these trade regulating chemicals databases with information on hazard and exposure probability drawn from the information on commercial applications in the regulatory databases as well as information on physical chemical properties and toxicological and ecotoxicological properties from the SPIN 2000 database. Where the SPIN 2000 database is a repository for data required for instance is health and safety assessments for the Classification and Labeling Directive.
Figure 3.1 The figure describes the rationale for using a curated chemicals list for identifying a substance. (Modified from figure presented at CityLeaks seminar, Malmø 2018 by Stellan Fisher)
The processes will take the form of a forward and a reversed screening approach, which may be summarized as consisting of:
The LC-HRMS data independent acquisition data from the effluent samples was reanalyzed using a deconvolution and a universal library search algorithm developed by Samanipour and co-workers (Samanipour et al. 2016, 2018). The scripts containing the used algorithms are available on GitHub (https://github.com/saersamani/Decon_ULSA_DIA_HRMS). The suspect list used for the reanalysis was the Norman Substance Database list (SusDat) from 2018 which had around 20000 compounds at the time, the current SusDat and other suspect lists are available at NORMAN Suspect List Exchange (https://www.norman-network.com/nds/SLE/).
The reanalysis resulted in just over 15000 unique feature identifications and of those 127 features were identified to ID Level 2 (Probable Structure, by library/diagnostic evidence) (Schymanski et al. 2015), see Table 3.1.
Table 3.1 Features identified at ID Level 2 in effluent samples using deconvoluting and library match algorithm
Name | CAS | Norman SusDat ID | GL | IS | FO | NO | DK | SE | FI |
1,3-bis (2,6-dimethylphenoxy) propan-2-ol | 856976-65-3 | NS00008105 | v | v | |||||
1,3- diphenylguanidine | 102-06-7 | NS00104223 | v | v | v | v | v | v | v |
1011-Dihydro-1011- dihydroxycarbamazepine | v | ||||||||
2-{[(6-Methoxy-1H-benzimidazol-2-yl)sulfanyl] methyl}- 3,5-dimethylpyridin-4 (1H)-one(4-hydroxy omeprazole sulphide) | 103876-98-8 | NS00014620 | v | v | v | v | v | v | v |
2,2-Bis (hydroxymethyl)-1,3- propanediyl dioctanoate | 55680-37-0 | NS00033364 | v | v | |||||
3-Pyrazolidinone, 1-phenyl- | 92-43-3 | NS00019857 | v | ||||||
3,4,5- Triethoxybenzoic acid | 6970-19-0 | NS00036921 | v | ||||||
3,6,9,12,15,18,21,24,27- Nonaoxanonacosane-1,29-diol | 5579-66-8 | NS00001004 | v | v | v | v | v | v | |
3,6,9,12,15,18,21,24,27,30- Decaoxadotriacontane-1,32-diol | 6891-45-8 | NS00001005 | v | v | v | v | v | v | |
3,6,9,12,15,18,21,24,27,30,33,36- Dodecaoxaoctatriacontane-1,38-diol | 17598-96-8 | NS00001007 | v | v | v | ||||
34-Methylenedioxy-N- methylamphetamine | v | v | v | v | |||||
4-(Dipropylamino) benzenediazonium tetrafluoroborate | 5059-80-3 | NS00032088 | v | ||||||
4-OH- Carbamazepine | NS00040768 | v | |||||||
5,6,7,8-Tetrahydroquinazoline- 2,4-diamine | 1899-40-7 | NS00026209 | v | v | v | v | |||
Alfuzosin | 81403-80-7 | NS00000621 | v | v | |||||
alpha- Ketometoprolol | v | v | v | v | v | ||||
Alverine | 150-59-4 | NS00010383 | v | v | v | v | v | v | v |
Amisulpride | 71675-85-9 | NS00000416 | v | v | v | v | |||
Amitriptyline | 50-48-6 | NS00000032 | v | v | v | v | v | ||
Arginine | 7200-25-1 | NS00101925 | v | ||||||
Aspidospermine | 466-49-9 | NS00031621 | v | v | |||||
Atenolol | 29122-68-7 | NS00010385 | v | ||||||
Azithromycin | 83905-01-5 | NS00000204 | v | v | v | ||||
Benzoic acid, 2- (dimethylamino)- | 610-16-2 | NS00034525 | v | ||||||
Benzoylecgonine | 519-09-5 | NS00000407 | v | v | v | ||||
Berberine | 2086-83-1 | NS00009669 | v | v | |||||
Bexarotene | 153559-49-0 | NS00000606 | v | v | |||||
Bisoprolol | 66722-44-9 | NS00009929 | v | ||||||
Bupropion | 34911-55-2 | NS00000397 | v | ||||||
Caffeine | 58-08-2 | NS00000273 | v | v | v | v | v | v | v |
Carbamazepine | 298-46-4 | NS00000207 | v | v | v | v | v | v | v |
Carbamazepine- 1011-epoxide | v | v | v | v | v | ||||
Carbamazepine epoxide | 36507-30-9 | NS00000327 | v | v | |||||
Celiprolol | 56980-93-9 | NS00010514 | v | ||||||
Cetirizine | 83881-51-0 | NS00000386 | v | v | v | v | v | v | v |
Ciprofloxacin | 85721-33-1 | NS00008031 | v | v | v | ||||
Cis-Zeatin | v | v | |||||||
Citalopram | 59729-33-8 | NS00000035 | v | v | v | v | v | v | v |
Clarithromycin | 81103-11-9 | NS00000205 | v | v | v | v | |||
Climbazole | 38083-17-9 | NS00008150 | v | v | v | v | v | v | v |
Clomipramine | 303-49-1 | NS00000038 | v | ||||||
Clozapine | 5786-21-0 | NS00000413 | v | v | v | v | v | v | |
Cocaine | 50-36-2 | NS00000403 | v | v | |||||
Codeine | 76-57-3 | NS00000391 | v | v | v | v | v | v | v |
Colchicine | 64-86-8 | NS00002718 | v | v | v | ||||
Cotinine | 486-56-6 | NS00010263 | v | v | v | v | v | v | |
Crotamiton | 483-63-6 | NS00010892 | v | ||||||
Cyheptamide | 7199-29-3 | NS00037314 | v | v | v | v | |||
DEET | 134-62-3 | NS00000221 | v | v | v | v | v | v | |
Dibucaine | 85-79-0 | NS00010344 | v | v | |||||
Diphenhydramine | 58-73-1 | NS00010439 | v | ||||||
Disopyramide | 3737-09-5 | NS00003733 | v | v | v | v | v | v | v |
Dodecaethlene glycol (PEG-12) | 25322-68-3 | NS00001006 | v | v | v | v | |||
Edifenphos | 17109-49-8 | NS00001472 | v | v | v | v | |||
Eprosartan | 133040-01-4 | NS00000388 | v | v | v | ||||
Fexofenadine | 83799-24-0 | NS00010515 | v | v | v | v | v | v | v |
Finasteride | 98319-26-7 | NS00010893 | v | v | |||||
Flecainide | 54143-55-4 | NS00010512 | v | v | v | v | v | ||
Fluconazole | 86386-73-4 | NS00000281 | v | v | v | v | |||
Fludrocortisone | 127-31-1 | NS00010380 | v | v | v | v | v | ||
Furosemide | 54-31-9 | NS00008630 | v | v | |||||
Gelsemine | 509-15-9 | NS00006472 | v | ||||||
Hexaethylene glycol | 2615-15-8 | NS00001003 | v | v | v | v | v | ||
Hydroxybutorphanol | v | ||||||||
Iminostilbene | 256-96-2 | NS00000328 | v | v | v | v | v | v | |
Irbesartan | 138402-11-6 | NS00000387 | v | v | v | ||||
Ketoconazole | 65277-42-1 | NS00010890 | v | v | v | v | |||
Lamotrigine | 84057-84-1 | NS00000354 | v | v | v | v | v | v | |
Levamisole | 14769-73-4 | NS00000419 | v | v | v | v | |||
Losartan | 114798-26-4 | NS00008822 | v | v | v | v | v | v | |
Meclizine | 569-65-3 | NS00000507 | v | v | v | v | v | ||
Methadone | 76-99-3 | NS00000411 | v | v | v | v | |||
Metoclopramide | 364-62-5 | NS00000392 | v | v | v | ||||
Metoprolol | 37350-58-6 | NS00000197 | v | v | v | v | v | v | v |
Mirtazapine | 85650-52-8 | NS00009441 | v | v | v | v | v | v | v |
N- Acetylaminoantipyrine | 83-15-8 | NS00000226 | v | v | |||||
N,N- Dimethyldodecylamine- N-oxide | 1643-20-5 | NS00001592 | v | v | |||||
NO- Didesmethylvenlafaxine | v | v | v | v | v | v | v | ||
Norbuprenorphine | 78715-23-8 | NS00010446 | v | v | v | v | v | ||
Norclozapine | 6104-71-8 | NS00098561 | v | v | v | v | |||
Olopatadine | 113806-05-6 | NS00000615 | v | v | v | v | v | ||
Oxazepam | 604-75-1 | NS00007748 | v | ||||||
Oxycodone | 76-42-6 | NS00010443 | v | v | v | ||||
Pantoprazole | 102625-70-7 | NS00000297 | v | ||||||
PEG-12 | v | v | v | v | v | ||||
PEG-15 | v | v | v | ||||||
PEG-7EO | v | v | v | v | v | v | v | ||
PEG-8EO | v | v | v | v | v | v | v | ||
PEG-9EO | v | v | v | v | v | v | v | ||
Phenol, 2-[(dimethylamino) methyl]-4- (1,1-dimethylethyl)- | 97-43-8 | NS00040516 | v | ||||||
Sitagliptin | 486460-32-6 | NS00000425 | v | v | v | ||||
Sotalol | 3930-20-9 | NS00000195 | v | v | v | v | v | v | |
Sulfapyridine | 144-83-2 | NS00000225 | v | v | v | v | |||
Sulpiride | 15676-16-1 | NS00010476 | v | v | |||||
Telmisartan | 144701-48-4 | NS00000398 | v | v | v | v | |||
Tiamulin | 55297-95-5 | NS00000009 | v | v | v | v | v | v | v |
Triamterene | 396-01-0 | NS00010256 | v | ||||||
Trimethoprim | 738-70-5 | NS00000211 | v | v | v | v | v | v | v |
Trospium | 47608-32-2 | NS00098770 | v | v | |||||
Tyrosine | 60-18-4 | NS00078967 | v | v | v | ||||
Valsartan | 137862-53-4 | NS00000341 | v | v | |||||
Venlafaxine | 93413-69-5 | NS00000031 | v | v | v | v | v | v | v |
Verapamil metabolite D617 | 34245-14-2 | NS00008205 | v | v | v | v | v | v |
The list of compounds identified to ID level 3 and above in the initial study were further curated. This was done mainly using the newest SusDat list (Network et al. 2021), where the full dataset is available for download at the NORMAN Suspect List Exchange website (https://www.norman-network.com/nds/SLE/), and the CompTox Chemicals Dashboard (Williams et al. 2017) which has an online batch search option (max 5000 at a time) (https://comptox.epa.gov/dashboard/dsstoxdb/batch_search). The lists are split into three tables, effluent (Table 6.1), biota (Table 6.2), and sediment (Table 6.3), see Appendix 6.
Network, NORMAN, Reza Aalizadeh, Nikiforos Alygizakis, Emma Schymanski, Jaroslav Slobodnik, Stellan Fischer, and Lubos Cirka. 2021. “S0 | SUSDAT | Merged NORMAN Suspect List: SusDat,” February. https://doi.org/10.5281/ZENODO.4558070.
Samanipour, Saer, Katherine Langford, Malcolm J. Reid, and Kevin V. Thomas. 2016. “A two stage algorithm for target and suspect analysis of produced water via gas chromatography coupled with high resolution time of flight mass spectrometry.” Journal of Chromatography A 1463: 153–61. https://doi.org/10.1016/j.chroma.2016.07.076.
Samanipour, Saer, Malcolm J. Reid, Kine Bæk, and Kevin V. Thomas. 2018. “Combining a Deconvolution and a Universal Library Search Algorithm for the Nontarget Analysis of Data-Independent Acquisition Mode Liquid Chromatography−High-Resolution Mass Spectrometry Results.” Environmental Science & Technology 52 (8): 4694–4701. https://doi.org/10.1021/acs.est.8b00259.
Schlabach, Martin, Peter Haglund, Malcolm Reid, Pawel Rostkowski, Cathrin Veenaas, Kine Bæk, and Bert van Bavel. 2017. Suspect screening in Nordic countries: Point sources in city areas. 2017:561 ed. TemaNord. Copenhagen: Nordic Council of Ministers. https://doi.org/10.6027/TN2017-561.
Schymanski, Emma L., Heinz P. Singer, Jaroslav Slobodnik, Ildiko M. Ipolyi, Peter Oswald, Martin Krauss, Tobias Schulze, et al. 2015. “Non-target screening with high-resolution mass spectrometry: Critical review using a collaborative trial on water analysis.” Analytical and Bioanalytical Chemistry 407 (21): 6237–55. https://doi.org/10.1007/s00216-015-8681-7.
Williams, Antony J., Christopher M. Grulke, Jeff Edwards, Andrew D. McEachran, Kamel Mansouri, Nancy C. Baker, Grace Patlewicz, et al. 2017. “The CompTox Chemistry Dashboard: A community data resource for environmental chemistry.” Journal of Cheminformatics 9 (1): 1–27. https://doi.org/10.1186/s13321-017-0247-6.
Country | Location | Site | Matrix | Species |
Denmark | Roskilde | Risø | Biota | Eelpout |
Denmark | Aarhus | Marselisborg WWTP | Effluent | |
Denmark | Roskilde | Ros 60 | Sediment | |
Faroe Islands | Tórshavn | VA11 and VA17 | Biota | Saithe |
Faroe Islands | Tórshavn | VA11 (Sersjantvíkin) | Effluent | |
Faroe Islands | Tórshavn | VA 17 (Álaker) | Sediment | |
Finland | Helsinki | Vanhankaupunginselkä | Biota | Perch |
Finland | Helsinki | Viikinmäki | Effluent | |
Finland | Helsinki | Vanhankaupunginselkä | Sediment | |
Greenland | Nuuk Fiord | Kakillarnat | Biota | Cod |
Greenland | Nuuk | Kakillarnat | Effluent | |
Greenland | Nuuk | Kakillarnat | Sediment | |
Iceland | Reykjavik | Inner Faxafloi bay | Biota | Cod |
Iceland | Reykjavik | Klettagarðar WWTP | Effluent | |
Iceland | Reykjavik | Inner Faxafloi bay | Sediment | |
Norway | Oslo | Oslofjord | Biota | Cod |
Norway | Oslo | VEAS | Effluent | |
Norway | Oslo | Oslofjord | Sediment | |
Sweden | Stockholm | Henriksdal WWTP | Biota | Perch |
Sweden | Stockholm | Henriksdal WWTP | Effluent | |
Sweden | Stockholm | Henriksdal WWTP | Sediment |
Table A.1 Sampling stations
Table B.1 Detected compounds in the effluent samples
Molecular Formula | Name | CAS | Norman SusDat ID | ID Level | GL | IS | FO | NO | DK | SE | FI | Comp. Info | Potential Source |
C12H20O2 | (Z)-dihydro-5-(2-octenyl)furan-2(3H)-one | 18679-18-0 | NS00052592 | 2 | v | ||||||||
C10H22O3 | 1-(2-Butoxy-1-methylethoxy)propan-2-ol | 29911-28-2 | NS00002704 | 3 | v | v | v | v | Misc. | ||||
C10H22O3 | 1-(2-Butoxy-1-methylethoxy)propan-2-ol | 29911-28-2 | NS00002704 | 2 | v | Misc. | |||||||
C14H9Cl2N1O1 | 1-(2,6-Dichlorophenyl)-2-indolinone | 15362-40-0 | NS00004994 | 3 | v | v | v | PPCP | |||||
C16H11ClN3O3 | 1-[(2-chloro-4-nitrophenyl)azo]-2-naphthol | 2814-77-9 | NS00048734 | 2 | v | v | Halogenated | ||||||
C7H4F13N1O2S1 | 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methyl- | 68259-15-4 | NS00011242 | 2 | v | v | |||||||
C10H14 | 1,2,3,4-Tetramethylbenzene | 488-23-3 | NS00021173 | 2 | v | ||||||||
C10H14 | 1,2,3,5-Tetramethylbenzene | 527-53-7 | NS00009847 | 2 | v | ||||||||
C7H8O2 | 1,3-Benzenediol, 5-methyl- | 504-15-4 | NS00032059 | 2 | v | ||||||||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 3 | v | v | v | v | v | v | |||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 2 | v | ||||||||
C18H36O3 | 12-hydroxystearic acid | 106-14-9 | NS00104291 | 2 | v | ||||||||
C20H30O2 | 13-ethyl-3-methoxygona-2,5(10)-dien-17β-ol | 14507-49-4 | NS00002728 | 2 | v | ||||||||
C9H7N1O1 | 1H-Indole-3-carboxaldehyde | 487-89-8 | NS00031825 | 2 | v | ||||||||
C10H9F9O2 | 1H,1H,2H,2H-Perfluorohexyl methacrylate | 1799-84-4 | NS00010989 | 2 | v | v | v | v | v | PFAS | |||
C12H10O1 | 2'-Acetonaphthone | 93-08-3 | NS00004934 | 2 | v | ||||||||
C10H22O2 | 2-(2-Ethylhexyloxy)ethanol | 1559-35-9 | NS00020386 | 2 | v | ||||||||
C8H7N1S2 | 2-(Methylthio)benzothiazole | 615-22-5 | NS00007832 | 2 | v | v | v | v | v | Industrial additive | |||
C16H34O3 | 2-[2-(Dodecyloxy)ethoxy]ethanol | 3055-93-4 | NS00013814 | 2 | v | ||||||||
C9H11N1O2 | 2-Ethoxybenzamide | 938-73-8 | NS00002670 | 2 | v | ||||||||
C18H26O3 | 2-Ethylhexyl trans-4-methoxycinnamate | 83834-59-7 | NS00013675 | 2 | v | ||||||||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 2 | v | v | |||||||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 2 | v | v | |||||||
C8H10O2 | 2-Phenoxyethanol | 122-99-6 | NS00002984 | 2 | v | v | v | v | v | v | Germa|cide | Misc. | |
C13H10N2O3S | 2-phenyl-1H-benzimidazole-5-sulphonic acid | 27503-81-7 | NS00106882 | 2 | v | ||||||||
C13H10N2O3S | 2-phenyl-1H-benzimidazole-5-sulphonic acid | 27503-81-7 | NS00106882 | 3 | v | ||||||||
C8H10O1 | 2-Phenylethanol | 60-12-8 | NS00004212 | 3 | v | v | |||||||
C9H12O1 | 2-Phenylpropan-2-ol | 617-94-7 | NS00010783 | 2 | v | ||||||||
C10H12O2 | 2-Propanone, 1-(4-methoxyphenyl)- | 122-84-9 | NS00011990 | 2 | v | ||||||||
C14H8N2S2 | 2,2'-Bibenzothiazole | 4271-09-4 | 3 | v | |||||||||
C12H18O1 | 2,4-Diisopropylphenol | NS00007254 | 2 | v | |||||||||
C16H30O2 | 2,5,8,11-Tetramethyldodec-6-yne-5,8-diol | 68227-33-8 | NS00003000 | 2 | v | ||||||||
C9H12O2 | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione | 1125-21-9 | NS00010663 | 2 | v | flavorant/ fragrance | Food additive | ||||||
C11H13ClO | 3-Buten-1-ol, 4-chloro-2-methyl-1-phenyl- | 2 | v | v | v | Halogenated | |||||||
C13H20O | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- | 14901-07-6 | NS00075791 | 2 | v | ||||||||
C7H9N1O2 | 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione | 20189-42-8 | NS00010668 | 3 | v | v | v | v | v | v | |||
C7H9N1O2 | 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione | 20189-42-8 | NS00010668 | 2 | v | ||||||||
C12H24O3 | 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate | 74367-34-3 | 2 | v | v | v | v | v | v | ||||
C12H24O3 | 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate | 74367-34-3 | 3 | v | |||||||||
C8H8O2 | 3-Hydroxy-4-methylbenzaldehyde | 57295-30-4 | NS00076576 | 3 | v | v | |||||||
C7H7NO2 | 3-Methyl-2-vinylmaleimide | 21494-57-5 | 3 | v | |||||||||
C13H12 | 3-Methylbiphenyl | 643-93-6 | NS00022617 | 2 | v | ||||||||
C9H9N1 | 3-Methylindole | 83-34-1 | NS00013192 | 2 | v | v | |||||||
C15H12Br4O2 | 3,3',5,5'-Tetrabromobisphenol A | 79-94-7 | NS00002438 | 2 | v | Bisphenol | Flame Retar|dant | ||||||
C15H11N1 | 3,3-Diphenylacrylonitrile | 3531-24-6 | NS00010692 | 3 | v | ||||||||
C15H11N1 | 3,3-Diphenylacrylonitrile | 3531-24-6 | NS00010692 | 2 | v | v | |||||||
C9H18O2 | 3,5,5-trimethylhexanoic acid | 512345 | NS00105192 | 2 | v | ||||||||
C10H22O1 | 3,7-Dimethyl-3-octanol | 78-69-3 | NS00003469 | 2 | v | v | v | PPCP | |||||
C8H10O1 | 4-Ethylphenol | 123-07-9 | NS00010739 | 2 | v | flavorant/ fragrance | Misc. | ||||||
C8H7N1O1 | 4-Hydroxyindole | 2380-94-1 | NS00013759 | 3 | v | v | |||||||
C8H8O3 | 4-Hydroxyphenylacetate | 3233-32-7 | 2 | v | |||||||||
C7H7N3 | 4-Methyl-1H-benzotriazole | 29878-31-7 | NS00108592 | 2 | v | ||||||||
C7H7NO5S | 4-nitrotoluene-2-sulphonic acid | 121-03-9 | NS00104563 | 2 | v | v | |||||||
C12H10O4S1 | 4,4'-Sulfonyldiphenol | 80-09-1 | NS00010610 | 2 | v | Bisphenol | Misc. | ||||||
C12H10O4S1 | 4,4'-Sulfonyldiphenol | 80-09-1 | NS00010610 | 1 | v | v | Bisphenol | Misc. | |||||
C6H5F9O | 4:2 FTOH | 2043-47-2 | NS00108564 | 3 | v | PFAS | |||||||
C11H20O2 | 5-Heptyldihydro-2(3H)-furanone | 104-67-6 | NS00008440 | 2 | v | Fragrance | Misc. | ||||||
C6H7N5S1 | 6-Methylthioguanine | 1198-47-6 | NS00008363 | 2 | v | ||||||||
C6H6N4O2 | 7-Methylxanthine | 552-62-5 | NS00005508 | 2 | v | ||||||||
C14H11N | 9-methylacridine | 611-64-3 | NS00042821 | 2 | v | v | v | v | v | PAC | |||
C14H26O2 | 9-Tetradecenoic acid, (9Z)- | 544-64-9 | NS00020426 | 2 | v | ||||||||
C12H12O | a-methylnaphthalene-2-methanol | 7228-47-9 | NS00044941 | 2 | v | ||||||||
C18H28N2O4 | Acebutolol | 37517-30-9 | NS00006043 | 2 | v | v | v | Drug | PPCP | ||||
C13H13N3O3S1 | Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]- | 19077-98-6 | NS00008156 | 2 | v | ||||||||
C13H13N3O3S1 | Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]- | 19077-98-6 | NS00008156 | 3 | v | ||||||||
C8H9N1O2 | Acetaminophen | 103-90-2 | NS00000231 | 2 | v | v | v | PPCP | |||||
C20H23N1 | Amitriptyline | 50-48-6 | NS00000032 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C20H25Cl1N2O5 | Amlodipine | 88150-42-9 | NS00000043 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C38H52N6O7 | Atazanavir | 198904-31-3 | NS00000470 | 2 | v | v | v | v | v | Drug | PPCP | ||
C14H22N2O3 | Atenolol | 29122-68-7 | NS00010385 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C38H72N2O12 | Azithromycin | 83905-01-5 | NS00000204 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C8H12N2O3 | Barbital | 57-44-3 | NS00003391 | 2 | v | ||||||||
C17H28 | BENZENE, (1-BUTYLHEPTYL)- | 4537-15-9 | NS00095862 | 2 | v | ||||||||
C18H30 | BENZENE, (1-PENTYLHEPTYL)- | 2719-62-2 | NS00008712 | 2 | v | ||||||||
C14H14O | Benzene, 1-methyl-2-(phenylmethoxy)- | 19578-70-2 | 2 | v | v | v | v | ||||||
C14H14O | Benzene, 1-methyl-2-(phenylmethoxy)- | 19578-70-2 | 3 | v | |||||||||
C15H13N1 | Benzenepropanenitrile, .beta.-phenyl- | 61310-06-3 | NS00010691 | 2 | v | v | v | v | v | ||||
C9H11N1O2 | Benzocaine | 94-09-7 | NS00001814 | 2 | v | v | Drug | PPCP | |||||
C22H36O2 | Benzoic acid, pentadecyl ester | NS00076547 | 3 | v | v | v | v | v | |||||
C22H36O2 | Benzoic acid, pentadecyl ester | NS00076547 | 2 | v | |||||||||
C20H32O2 | Benzoic acid, tridecyl ester | NS00076546 | 3 | v | v | v | v | v | v | v | |||
C13H10O1 | Benzophenone | 119-61-9 | NS00010632 | 2 | v | v | v | v | v | v | v | PPCP | |
C7H5N1O1S1 | Benzothiazolone | 934-34-9 | NS00008199 | 3 | v | v | PPCP | ||||||
C16H19N1O4 | Benzoylecgonine | 519-09-5 | NS00000407 | 2 | v | v | v | v | v | ||||
C9H10O2 | Benzyl acetate | 140-11-4 | NS00002107 | 2 | v | Fragrance | PPCP | ||||||
C18H14F4N2O4S1 | Bicalutamide | 90357-06-5 | NS00000400 | 2 | v | v | |||||||
C15H24 | Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl- | 242794-76-9 | 2 | v | |||||||||
C24H38O4 | Bis(2-ethylhexyl) terephthalate | 6422-86-2 | NS00007552 | 3 | v | Misc. | |||||||
C13H12O2 | Bis(4-hydroxyphenyl)methane | 620-92-8 | NS00009451 | 1 | v | v | v | Bisphenol | Plastic manu|factu|ring | ||||
C13H12O2 | Bis(4-hydroxyphenyl)methane | 620-92-8 | NS00009451 | 2 | v | Bisphenol | Plastic manu|factu|ring | ||||||
C18H31N1O4 | Bisoprolol | 66722-44-9 | NS00009929 | 2 | v | v | v | v | Drug | PPCP | |||
C12H11N3O3S1 | C.I. Food Yellow 6 | 104-23-4 | NS00006633 | 2 | v | Colorant | PPCP | ||||||
C12H11N3O3S1 | C.I. Food Yellow 6 | 104-23-4 | NS00006633 | 3 | v | Colorant | PPCP | ||||||
C8H10N4O2 | Caffeine | 58-08-2 | NS00000273 | 3 | v | v | v | v | v | v | PPCP | ||
C8H10N4O2 | Caffeine | 58-08-2 | NS00000273 | 2 | v | v | v | v | v | v | v | PPCP | |
C11H10N4O4 | Carbadox | 6804-07-5 | NS00011822 | 2 | v | ||||||||
C15H12N2O1 | Carbamazepine | 298-46-4 | NS00000207 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C15H14N2O2 | Carbamazepine, 10-hydroxy | 2 | v | v | v | v | v | v | v | ||||
C15H14N2O3 | Carbamazepine, 10, 11-dihydroxy | 2 | v | v | v | v | v | v | v | ||||
C20H33N3O4 | Celiprolol | 56980-93-9 | NS00010514 | 2 | v | v | v | v | Drug | PPCP | |||
C21H25Cl1N2O3 | Cetirizine | 83881-51-0 | NS00000386 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C15H11Cl1O3 | Chlorflurenol-methyl | 2536-31-4 | NS00002592 | 2 | v | v | |||||||
C17H18F1N3O3 | Ciprofloxacin | 85721-33-1 | NS00008031 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C20H21F1N2O1 | Citalopram | 59729-33-8 | NS00000035 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C38H69N1O13 | Clarithromycin | 81103-11-9 | NS00000205 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C18H19Cl1N4 | Clozapine | 5786-21-0 | NS00000413 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C17H21N1O4 | Cocaine | 50-36-2 | NS00000403 | 2 | v | v | v | v | v | Drug - Illicit | PPCP | ||
C18H21N1O3 | Codeine | 76-57-3 | NS00000391 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C10H12N2O1 | Cotinine | 486-56-6 | NS00010263 | 2 | v | v | v | v | v | v | v | Tobacco | PPCP |
C9H6O2 | Coumarin | 91-64-5 | NS00002381 | 2 | v | v | v | PPCP | |||||
C18H10 | Cyclopenta[cd]pyrene | 27208-37-3 | NS00005566 | 2 | v | ||||||||
C18H26O1 | Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl- | 1222-05-5 | NS00008760 | 2 | v | v | v | v | v | v | PPCP | ||
C6H12O6 | D-Glucose | 50-99-7 | NS00007629 | 2 | v | ||||||||
C7H9N1O2 | Deferiprone | 30652-11-0 | NS00005705 | 2 | v | v | |||||||
C19H19F1N2O1 | desmethylcitalopram | 62498-67-3 | NS00006900 | 2 | v | v | v | v | Drug | PPCP | |||
C22H26N2O4S1 | Diltiazem | 56209-45-1 | NS00000473 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C8H14O4 | Dimethyl adipate | 627-93-0 | NS00004584 | 3 | v | v | v | v | |||||
C8H14O4 | Dimethyl adipate | 627-93-0 | NS00004584 | 2 | v | ||||||||
C24H40N8O4 | Dipyridamol | 2 | v | v | v | v | |||||||
C22H43NO | docos-13-enamide, Amides, C22 (unsaturated) | 2 | v | ||||||||||
C12H24O2 | Dodecanoic acid | 143-07-7 | NS00008441 | 2 | v | ||||||||
C16H30O2 | dodecyl methacrylate | 142-90-5 | NS00104758 | 2 | v | v | |||||||
C13H10N2O3S1 | Ensulizole | 27503-81-7 | NS00010386 | 2 | v | v | v | v | PPCP | ||||
C13H10N2O3S1 | Ensulizole | 27503-81-7 | NS00010386 | 3 | v | PPCP | |||||||
C23H24N2O4S1 | Eprosartan | 133040-01-4 | NS00000388 | 2 | v | v | v | Drug | PPCP | ||||
C8H8O2 | Ethanone, 2-hydroxy-1-phenyl- | 582-24-1 | NS00022418 | 2 | v | v | v | v | v | v | v | ||
C17H21N1O3 | Etodolac | 41340-25-4 | NS00010209 | 2 | v | ||||||||
C32H39N1O4 | Fexofenadine | 83799-24-0 | NS00010515 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C17H20F6N2O3 | Flecainide | 54143-55-4 | NS00010512 | 2 | v | v | v | v | v | Drug | PPCP | ||
C13H12F2N6O1 | Fluconazole | 86386-73-4 | NS00000281 | 2 | v | ||||||||
C17H34O | Hexadecanal, 2-methyl- | 55019-46-0 | 2 | v | |||||||||
C17H34O | Hexadecanal, 2-methyl- | 55019-46-0 | 2 | v | |||||||||
C16H32O2 | Hexadecanoic acid | 57-10-3 | NS00008548 | 2 | v | v | Saturated fatty acid | Misc. | |||||
C19H40O2Si | Hexadecanoic acid, trimethylsilyl ester | 55520-89-3 | 2 | v | v | v | v | v | v | v | |||
C7H8Cl1N3O4S2 | Hydrochlorothiazide | 58-93-5 | NS00000343 | 2 | v | v | v | Halogenated | |||||
C7H8Cl1N3O4S2 | Hydrochlorothiazide | 58-93-5 | NS00000343 | 3 | v | Halogenated | |||||||
C18H21N1O3 | Hydrocodone | 125-29-1 | NS00009201 | 2 | v | v | v | v | v | v | |||
C20H40O2 | icosanoic acid | 506-30-9 | NS00107202 | 2 | v | v | |||||||
C8H7N1 | Indole | 120-72-9 | NS00010849 | 2 | v | ||||||||
C9H7N1O1 | Indole-4-carboxaldehyde | 1047-86-6 | NS00015304 | 2 | v | v | v | v | v | v | |||
C10H12N4O5 | Inosine | 58-63-9 | NS00010210 | 3 | v | ||||||||
C25H28N6O1 | Irbesartan | 138402-11-6 | NS00000387 | 2 | v | v | v | v | Drug | PPCP | |||
C8H5N1O2 | Isatin | 91-56-5 | NS00005535 | 3 | v | ||||||||
C17H34O2 | isopentyl laurate | 6309-51-9 | NS00107436 | 2 | v | v | v | ||||||
C15H30O2 | isopropyl laurate | 10233-13-3 | NS00104226 | 2 | v | ||||||||
C17H34O2 | Isopropyl tetradecanoate | 110-27-0 | NS00006471 | 2 | v | v | v | Misc. | |||||
C26H28Cl2N4O4 | Ketoconazole | 65277-42-1 | NS00010890 | 2 | v | v | v | v | v | v | v | ||
C9H11N1O3 | L-threo-3-Phenylserine | 69-96-5 | NS00002730 | 2 | v | ||||||||
C11H12N2O2 | l-Tryptophan | 73-22-3 | NS00003513 | 2 | v | amino acid | PPCP | ||||||
C9H7Cl2N5 | Lamotrigine | 84057-84-1 | NS00000354 | 2 | v | v | v | v | v | v | v | ||
C24H48O2 | Lauryl laurate | 13945-76-1 | NS00009876 | 2 | v | ||||||||
C22H23Cl1N6O1 | Losartan | 114798-26-4 | NS00008822 | 2 | v | v | v | v | v | v | v | ||
C7H8O1 | m-Cresol | 108-39-4 | NS00010658 | 2 | v | v | flavorant/ fragrance | Misc. | |||||
C7H8O1 | m-Cresol | 108-39-4 | NS00010658 | 3 | v | flavorant/ fragrance | Misc. | ||||||
C20H23N1 | Maprotiline | 10262-69-8 | NS00009793 | 2 | v | v | v | v | v | v | |||
C11H15N1O2 | MDMA | 42542-10-9 | NS00010441 | 2 | v | v | v | v | v | ||||
C10H20O1 | Menthol (DL-menthol) | 89-78-1 | NS00001027 | 2 | v | v | v | PPCP | |||||
C20H30O2 | metenolone | 153-00-4 | NS00077347 | 2 | v | ||||||||
C21H27N1O1 | Methadone | 76-99-3 | NS00000411 | 2 | v | v | v | v | |||||
C20H28O2 | Methandrostenolone | 72-63-9 | NS00010330 | 2 | v | ||||||||
C8H9N1O2 | Methyl 2-aminobenzoate | 134-20-3 | NS00002018 | 2 | v | ||||||||
C9H18O2 | Methyl 2-ethylhexanoate | 816-19-3 | NS00001346 | 2 | v | ||||||||
C5H8O3 | methyl acetoacetate | 105-45-3 | NS00104278 | 2 | v | v | |||||||
C15H30O2 | methyl myristate | 124-10-7 | NS00104609 | 2 | v | ||||||||
C9H18O2 | methyl octanoate | 111-11-5 | NS00104427 | 2 | v | ||||||||
C17H34O2 | methyl palmitate | 112-39-0 | NS00104480 | 2 | v | v | |||||||
C14H22Cl1N3O2 | Metoclopramide | 364-62-5 | NS00000392 | 2 | v | v | v | v | v | v | |||
C15H25N1O3 | Metoprolol | 37350-58-6 | NS00000197 | 2 | v | v | v | v | v | v | v | ||
C17H19N3 | Mirtazapine | 85650-52-8 | NS00009441 | 2 | v | v | v | v | v | v | v | ||
C10H15N1O2S1 | N-Butylbenzenesulfonamide | 3622-84-2 | NS00007746 | 2 | v | v | v | ||||||
C17H17Cl1N4 | N-Desmethylclozapine | 6104-71-8 | NS00010419 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C5H9NO2 | N-Formylmorpholine | 4394-85-8 | NS00105320 | 2 | v | v | v | ||||||
C18H38O2Si | n-Pentanoic acid, trimethylsilyl ester | 74367-22-9 | 2 | v | v | v | v | ||||||
C14H31N1 | N,N-Dimethyldodecan-1-amine | 112-18-5 | NS00006542 | 3 | v | ||||||||
C10H8 | Naphthalene | 91-20-3 | NS00008377 | 2 | v | ||||||||
C9H18O2 | Neononanoic acid | 59354-78-8 | NS00004316 | 2 | v | ||||||||
C10H14N2 | Nicotine | 54-11-5 | NS00010445 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C9H18O2 | Nonanoic acid | 112-05-0 | NS00009752 | 2 | v | ||||||||
C16H25N1O2 | O-Desmethyl Venlafaxine | 93413-62-8 | NS00000330 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C16H32O2 | octyl octanoate | 2306-88-9 | NS00106773 | 2 | v | v | |||||||
C17H20N4S1 | Olanzapine | 132539-06-1 | NS00000036 | 3 | v | ||||||||
C17H19N3O4S1 | Omeprazole sulfone | 88546-55-8 | NS00003072 | 3 | v | ||||||||
C29H44O12 | Ouabain | 630-60-4 | NS00003260 | 2 | v | ||||||||
C15H11Cl1N2O2 | Oxazepam | 604-75-1 | NS00007748 | 2 | v | v | v | v | v | v | PPCP | ||
C7H8O1 | p-Cresol | 106-44-5 | NS00008242 | 2 | v | Misc. | |||||||
C7H6O2 | p-Hydroxybenzaldehyde | 123-08-0 | NS00014566 | 2 | v | v | v | v | v | v | Flavorant/ Colorant | PPCP | |
C7H6O2 | p-Hydroxybenzaldehyde | 123-08-0 | NS00014566 | 3 | v | Flavorant/ Colorant | PPCP | ||||||
C9H19NO4 | panthenol, DL-form | 16485-10-2 | NS00106616 | 2 | v | v | PPCP | ||||||
C15H28O2 | Pentadecan-15-olide | 106-02-5 | NS00007638 | 2 | v | Misc. | |||||||
C12H12O5 | Phenacylidene diacetate | 5062-30-6 | 2 | v | |||||||||
C24H26O2 | Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis- | 13595-25-0 | NS00006040 | 2 | v | v | Bisphenol | ||||||
C24H26O2 | Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis- | 13595-25-0 | NS00006040 | 1 | v | v | v | Bisphenol | |||||
C7H5N1O1 | Phenyl isocyanate | 103-71-9 | NS00010655 | 2 | v | ||||||||
C8H6O2 | Phenylglyoxal | 1074-12-0 | NS00023460 | 2 | v | v | v | v | v | ||||
C8H6O2 | Phenylglyoxal | 1074-12-0 | NS00023460 | 3 | v | ||||||||
C6H2F13O3P1 | Phosphonic acid, (tridecafluorohexyl)- | NS00011279 | 2 | v | PFAS | ||||||||
C6H2F13O3P1 | Phosphonic acid, (tridecafluorohexyl)- | NS00011279 | 3 | v | PFAS | ||||||||
C23H36O4 | Phthalic acid, hept-3-yl octyl ester | 2 | v | ||||||||||
C8H5N1O2 | Phthalimide | 85-41-6 | NS00010682 | 2 | v | v | |||||||
C12H26O4S.K | Potassium dodecyl sulphate | 4706-78-9 | NS00081255 | 2 | v | v | |||||||
C12H26O4S.K | Potassium dodecyl sulphate | 4706-78-9 | NS00081255 | 3 | v | ||||||||
C16H21N1O2 | Propranolol | 525-66-6 | NS00000196 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C6H7NS | Pyridine, 2-(methylthio)- | 18438-38-5 | 2 | v | v | v | v | ||||||
C21H25N3O2S1 | Quetiapine | 111974-69-7 | NS00010395 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C20H24N2O2 | Quinine | 130-95-0 | NS00002397 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C14H9Cl1F3N1O3 | rac 8-Hydroxy Efavirenz | 205754-32-1 | NS00009526 | 2 | v | ||||||||
C6H6O2 | Resorcinol | 108-46-3 | NS00007013 | 2 | v | ||||||||
C15H22O3 | Salicylic acid, butyl ether, butyl ester | 2 | v | ||||||||||
C16H15F6N5O1 | Sitagliptin | 486460-32-6 | NS00000425 | 2 | v | v | v | v | v | Drug | PPCP | ||
C12H20N2O3S1 | Sotalol | 3930-20-9 | NS00000195 | 2 | v | v | v | v | v | v | Drug | PPCP | |
C18H36O2 | stearic acid | 57-11-4 | NS00105495 | 2 | v | v | |||||||
C17H25NO4 | Succinic acid, 2-(dimethylamino)ethyl 4-isopropylphenyl ester | 2 | v | ||||||||||
C11H11N3O2S1 | Sulfapyridine | 144-83-2 | NS00000225 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C14H12O6S | sulisobenzone | 4065-45-6 | NS00107115 | 2 | v | ||||||||
C14H12O6S1 | Sulisobenzone | 4065-45-6 | NS00009581 | 2 | v | v | v | PPCP | |||||
C14H12O6S1 | Sulisobenzone | 4065-45-6 | NS00009581 | 3 | v | PPCP | |||||||
C15H23N3O4S1 | Sulpiride | 15676-16-1 | NS00010476 | 2 | v | v | v | v | Drug | PPCP | |||
C14H21N3O2S1 | Sumatriptan | 103628-46-2 | NS00009397 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C33H30N4O2 | Telmisartan | 144701-48-4 | NS00000398 | 2 | v | v | v | v | v | Drug | PPCP | ||
C14H28O2 | Tetradecanoic acid | 544-63-8 | NS00010444 | 2 | v | ||||||||
C17H36O2Si | Tetradecanoic acid, trimethylsilyl ester | 18603-17-3 | 2 | v | v | v | v | v | |||||
C14H30O4S1 | Tetradecyl sulfate | 4754-44-3 | NS00005015 | 2 | v | Drug | PPCP | ||||||
C16H25N1O2 | Tramadol | 27203-92-5 | NS00000338 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C12H22O2 | trans-4-tert-butylcyclohexyl acetate | 1900-69-2 | NS00081890 | 2 | v | v | |||||||
C9H14O6 | Triacetin | 102-76-1 | NS00010706 | 2 | v | v | v | Misc. | |||||
C9H14O6 | Triacetin | 102-76-1 | NS00010706 | 3 | v | Misc. | |||||||
C10H14O | tricyclo[5.2.1.0(2,6)]dec-3-en-10-ol | 39852-87-4 | NS00096343 | 3 | v | v | |||||||
C2H1F3O2 | Trifluoroacetic acid | 76-05-1 | NS00008877 | 2 | v | ||||||||
C14H18N4O3 | Trimethoprim | 738-70-5 | NS00000211 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
C10H14O2Si | Trimethylsilyl benzoate | 2078-12-8 | NS00045989 | 2 | v | ||||||||
C21H44O2Si | Trimethylsilyl stearate | 18748-91-9 | NS00048143 | 2 | v | v | v | v | |||||
C13H28O4 | Tripropylene glycol butyl ether | 55934-93-5 | NS00001901 | 2 | v | ||||||||
C18H39O7P1 | Tris(2-butoxyethyl) phosphate | 78-51-3 | NS00010389 | 2 | v | v | |||||||
C9H18Cl3O4P1 | Tris(2-chloroisopropyl)phosphate (TCPP) | 13674-84-5 | NS00009572 | 2 | v | v | v | v | Halogenated flame retardant | Misc. | |||
C9H6O3 | Umbelliferone | 93-35-6 | NS00001324 | 2 | v | Natural product | PPCP | ||||||
C18H28O2 | Undecyl benzoate | 6316-30-9 | NS00096101 | 3 | v | v | v | v | v | v | v | PPCP | |
C24H29N5O3 | Valsartan | 137862-53-4 | NS00000341 | 2 | v | v | v | v | v | Drug | PPCP | ||
C24H29N5O3 | Valsartan | 137862-53-4 | NS00000341 | 3 | v | Drug | PPCP | ||||||
C17H27N1O2 | Venlafaxine | 93413-69-5 | NS00000031 | 2 | v | v | v | v | v | v | v | Drug | PPCP |
Table B.2 Detected compounds in the biota samples
Molecular Formula | Name | CAS | Norman SusDat ID | ID Level | GL | IS | FO | NO | DK | SE | FI | Comp. Info | Potential Source |
C8H18N2O4S1 | (4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid | 7365-45-9 | NS00004939 | 3 | v | ||||||||
C8H12O | (E,E)-3,5-Octadien-2-one | 30086-02-3 | 2 | v | v | v | v | v | v | ||||
C6H6N2O2 | (Pyrimidin-2-yl)acetic acid | 66621-73-6 | 3 | v | v | v | |||||||
C9H17N1O4 | (S)-2-((tert)-butoxycarbonyl)amino)butanoic acid | 34306-42-8 | NS00004773 | 3 | v | ||||||||
C10H22O3 | 1-(2-Butoxy-1-methylethoxy)propan-2-ol | 29911-28-2 | NS00002704 | 3 | v | Misc. | |||||||
C9H10O3 | 1-(2,4-Dihydroxy-3-methylphenyl)ethanone | 10139-84-1 | 2 | v | v | v | v | v | |||||
C17H24O1 | 1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone | 13171-00-1 | NS00001394 | 3 | v | Musk comp | |||||||
C16H11ClN3O3 | 1-[(2-chloro-4-nitrophenyl)azo]-2-naphthol | 2814-77-9 | NS00048734 | 3 | v | Halogenated | |||||||
C12H8Br2O | 1-Bromo-2-(4-bromophenoxy)benzene | 147217-71-8 | NS00077051 | 2 | v | v | v | v | PBDE | ||||
C14H14 | 1,1'-Biphenyl, 2,3'-dimethyl- | 611-43-8 | 2 | v | v | v | |||||||
C14H14 | 1,1'-Biphenyl, 2,4'-dimethyl- | 611-61-0 | 2 | v | v | v | |||||||
C7H5NS | 1,2-Benzisothiazole | 272-16-2 | 2 | v | v | v | |||||||
C13H16 | 1,2-Dihydro-1,1,6-trimethylnaphthalene | 30364-38-6 | NS00022016 | 2 | v | v | v | ||||||
C13H18 | 1,2,3,4-Tetrahydro-1,6,8-trimethylnaphthalene | 30316-36-0 | 2 | v | |||||||||
C7H8O2 | 1,3-Benzenediol, 5-methyl- | 504-15-4 | NS00032059 | 2 | v | v | |||||||
C8H9NO4 | 1,4-dimethoxy-2-nitrobenzene | 89-39-4 | NS00105984 | 3 | v | ||||||||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 3 | v | v | |||||||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 2 | v | ||||||||
C23H40O3 | 11-(3,4-Dimethyl-5-pentyl-2-furyl)-dodecanoic acid, methyl ester | 71041-49-1 | 2 | v | v | v | v | v | Furan fatty acid | ||||
C21H36O3 | 11-(3,4-Dimethyl-5-propyl-2-furyl)-undecanoic acid, methyl ester | 86879-46-1 | 2 | v | v | v | v | v | Furan fatty acid | ||||
C9H8O1 | 1H-Inden-1-one, 2,3-dihydro- | 83-33-0 | NS00038249 | 2 | v | v | |||||||
C8H7N1S2 | 2-(Methylthio)benzothiazole | 615-22-5 | NS00007832 | 2 | v | v | v | Industrial additive | |||||
C12H15N5O5 | 2-[(2-acetamido-6,9-dihydro-6-oxo-1H-purin-9-yl]methoxy]ethyl acetate | 75128-73-3 | NS00107617 | 3 | v | v | |||||||
C16H34O3 | 2-[2-(Dodecyloxy)ethoxy]ethanol | 3055-93-4 | NS00013814 | 2 | v | ||||||||
C10H10ClN3O2 | 2-chloro-6,7-dimethoxyquinazolin-4-amine | 23680-84-4 | NS00106784 | 3 | v | Halogenated | |||||||
C12H22 | 2-Ethyldecahydronaphthalene, (Z,E)- | 66660-41-1 | 2 | v | v | ||||||||
C9H8O3 | 2-Hydroxy-5-methylisophthalaldehyde | 7310-95-4 | NS00037473 | 2 | v | ||||||||
C7H5N1S2 | 2-Mercaptobenzothiazole | 149-30-4 | NS00000568 | 2 | v | Industrial additive | |||||||
C9H10O3 | 2-methoxy-6-methylbenzoic acid | 6161-65-5 | NS00107392 | 3 | v | ||||||||
C9H16O2 | 2-methylcyclohexyl acetate | 5726-19-2 | NS00009395 | 3 | v | ||||||||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 2 | v | ||||||||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 2 | v | ||||||||
C8H10O2 | 2-Phenoxyethanol | 122-99-6 | NS00002984 | 2 | v | Germicide | Misc. | ||||||
C9H8O | 2-Phenylpropenal | 4432-63-7 | NS00076572 | 2 | v | v | v | v | |||||
C11H16O2 | 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)- | 17092-92-1 | 2 | v | v | v | |||||||
C14H8N2S2 | 2,2'-Bibenzothiazole | 4271-09-4 | 3 | v | |||||||||
C12H24N2O3 | 2,2'-dimorpholinyldiethyl ether | 6425-39-4 | NS00107461 | 3 | v | Catalyst | Construction | ||||||
C12H3Cl7 | 2,2',3,3',4,4',5-Heptachloro-1,1'-biphenyl (PCB 170) | 35065-30-6 | NS00114249 | 2 | v | v | v | v | v | v | v | PCB | |
C12H2Cl8 | 2,2',3,3',4,4',5,5'-Octachlorobiphenyl (PCB194) | 35694-08-7 | NS00114174 | 2 | v | v | v | v | v | v | v | PCB | |
C12HCl9 | 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl (PCB 206) | 40186-72-9 | NS00114147 | 2 | v | v | v | v | v | v | v | PCB | |
C12H4Cl6 | 2,2',3,4,4',5'-Hexachlorobiphenyl (PCB 138) | 35065-28-2 | NS00005294 | 2 | v | v | v | v | v | v | v | PCB | |
C12H3Cl7 | 2,2',3,4,4',5,5'-Heptachlorobiphenyl | 35065-29-3 | NS00001212 | 2 | v | v | v | v | v | v | v | PCB | |
C12H5Cl5 | 2,2',3,4,6-Pentachlorobiphenyl | 55215-17-3 | 2 | v | v | v | PCB | ||||||
C12H4Br6O1 | 2,2',4,4',5,5'-Hexabromodiphenyl ether | 68631-49-2 | NS00008955 | 2 | v | v | v | v | v | v | v | PBDE | |
C12H4Cl6 | 2,2',4,4',5,5'-Hexachlorobiphenyl (PCB 153) | 35065-27-1 | NS00005442 | 2 | v | v | v | v | v | v | v | PCB | |
C12H6Cl4 | 2,2',5,5'-Tetrachlorobiphenyl (PCB 52) | 35693-99-3 | NS00001956 | 3 | v | v | v | v | v | v | v | PCB | |
C15H28 | 2,2,4,4,7,7-Hexamethyloctahydro-1H-indene | 54832-83-6 | 3 | v | v | ||||||||
C12H6Br4O1 | 2,3',4,4'-Tetrabromodiphenyl ether | 189084-61-5 | NS00001012 | 2 | v | v | v | v | v | v | v | PBDE | |
C12H5Cl5 | 2,3',4,4',5-Pentachlorobiphenyl (PCB 118) | 31508-00-6 | NS00001962 | 2 | v | v | v | v | v | v | PCB | ||
C12H5Cl5 | 2,3',4,4',5-Pentachlorobiphenyl (PCB 118) | 31508-00-6 | NS00001962 | 2 | v | v | v | v | v | v | PCB | ||
C12H4Cl6 | 2,3',4,4',5,5'-Hexachlorobiphenyl (PCB 167) | 52663-72-6 | NS00099486 | 2 | v | v | v | v | v | v | v | PCB | |
C12H22 | 2,3-Dimethyldecahydronaphthalene | 1008-80-6 | 3 | v | v | ||||||||
C12H5Cl5 | 2,3,3',4,4'-Pentachlorobiphenyl (PCB 105) | 32598-14-4 | NS00114177 | 2 | v | v | v | v | v | PCB | |||
C12H4Cl6 | 2,3,3',4,4',5-Hexachlorobiphenyl (PCB 156) | 38380-08-4 | NS00003535 | 2 | v | v | v | v | v | v | v | PCB | |
C12H3Cl7 | 2,3,3',4,4',5,5'-Heptachlorobiphenyl | 39635-31-9 | NS00074014 | 2 | v | v | v | v | v | v | v | PCB | |
C12H4Cl6 | 2,3,3',4,5',6-Hexachlorobiphenyl | 74472-43-8 | 2 | v | v | v | v | Halogenated | |||||
C6H4Br2O1 | 2,4-Dibromophenol | 615-58-7 | NS00001617 | 2 | v | v | v | v | v | v | v | Halogenated | Flame Retardant |
C7H5Br3O1 | 2,4,6-Tribromoanisole | 607-99-8 | NS00003721 | 2 | v | v | v | v | v | v | v | Natural product | |
C6H3Br3O1 | 2,4,6-Tribromophenol | 118-79-6 | NS00004395 | 2 | v | v | v | v | v | v | v | Halogenated | Flame Retardant |
C16H20 | 2,6-Diisopropylnaphthalene | 24157-81-1 | NS00010761 | 2 | v | v | Pesticide | ||||||
C9H12O2 | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione | 1125-21-9 | NS00010663 | 2 | v | v | v | v | flavorant/ fragrance | Food additive | |||
C7H5F9O2 | 3-(Perfluorobutyl)propanoic acid | 80705-13-1 | NS00011089 | 2 | v | PFAS | |||||||
C13H20O | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- | 14901-07-6 | NS00075791 | 2 | v | v | v | ||||||
C12H24O3 | 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate | 74367-34-3 | 2 | v | v | v | v | v | v | v | |||
C7H7NO2 | 3-Methyl-2-vinylmaleimide | 21494-57-5 | 3 | v | |||||||||
C12H6Br4O | 3,3',4,4'-Tetrabromodiphenyl ether | 93703-48-1 | NS00074031 | 2 | v | v | v | v | v | v | v | PBDE | |
C15H12Br4O2 | 3,3',5,5'-Tetrabromobisphenol A | 79-94-7 | NS00002438 | 2 | v | v | v | v | v | v | v | Bisphenol | Flame Retardant |
C8H16O | 3,4-dimethylcyclohexan-1-ol | 5715-23-1 | NS00046141 | 2 | v | v | v | v | v | ||||
C16H24O2 | 3,5-Di-tert-butyl-4-hydroxyacetophenone | 14035-33-7 | NS00108535 | 3 | v | ||||||||
C8H10O1 | 4-Ethylphenol | 123-07-9 | NS00010739 | 2 | v | flavorant/ fragrance | Misc. | ||||||
C7H6O3 | 4-Hydroxybenzoic acid | 99-96-7 | NS00005418 | 3 | v | ||||||||
C25H18O2 | 4,4'-(9H-Fluorene-9,9-diyl)diphenol | 26088-14-2 | NS00001837 | 3 | v | ||||||||
C14H14 | 4,4'-Dimethylbiphenyl | 613-33-2 | NS00034646 | 2 | v | v | v | ||||||
C12H10O4S1 | 4,4'-Sulfonyldiphenol | 80-09-1 | NS00010610 | 1 | v | v | Bisphenol | Misc. | |||||
C5H9N1O2 | 4,4-dimethyl-1,2-oxazolidin-3-one | 81778-07-6 | NS00005019 | 3 | v | ||||||||
C15H12N2O3 | 5-(4-hydroxyphenyl)-5-phenylhydantoin | 2784-27-2 | NS00007796 | 3 | v | PPCP | |||||||
C6H8O3 | 5-acetyldihydrofuran-2(3H)-one | 29393-32-6 | NS00049070 | 2 | v | v | v | ||||||
C6H13N1O2 | 6-Aminocaproic acid | 60-32-2 | NS00014764 | 3 | v | v | v | v | Drug | PPCP | |||
C22H30O3 | 6,7-DIHYDROCANRENONE | 976-70-5 | NS00008961 | 3 | v | ||||||||
C17H16Cl1N3O2 | 8-Hydroxyamoxapine | 61443-78-5 | NS00010101 | 3 | v | ||||||||
C12H8O4 | 8-Methoxypsoralen | 298-81-7 | NS00004875 | 3 | v | ||||||||
C10H5F17O3S1 | 8:2 Fluorotelomer sulfonic acid | 39108-34-4 | NS00011092 | 2 | v | PFAS | |||||||
C14H26O2 | 9-Tetradecenoic acid, (9Z)- | 544-64-9 | NS00020426 | 2 | v | v | v | v | v | ||||
C20H32O2 | Abiet-8(14)-en-18-oic acid (NSC18746) | 34434-80-5 | NS00001533 | 3 | v | v | |||||||
C9H16O3 | Acetic acid, 2-(cyclohexyloxy)-, methyl ester | 65593-73-9 | NS00004583 | 3 | v | ||||||||
C8H16N2O3 | acetyllysine | 692-04-6 | NS00008574 | 3 | v | ||||||||
C5H4N4O1 | Allopurinol | 315-30-0 | NS00000618 | 3 | v | Drug | PPCP | ||||||
C10H12N4O5 | Allopurinol riboside | 16220-07-8 | NS00004733 | 3 | v | v | |||||||
C33H33N3O1 | alpha,alpha-bis[4-(Dimethylamino)phenyl]-4-(phenylamino)-1-naphthalenemethanol | 6786-83-0 | NS00011486 | 3 | v | ||||||||
C17H28 | BENZENE, (1-BUTYLHEPTYL)- | 4537-15-9 | NS00095862 | 2 | v | v | |||||||
C18H30 | BENZENE, (1-PENTYLHEPTYL)- | 2719-62-2 | NS00008712 | 2 | v | v | |||||||
C14H14O | Benzene, 1-methyl-2-(phenylmethoxy)- | 19578-70-2 | 2 | v | v | v | |||||||
C32H37N1O4 | Benzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethyl- | 76811-98-8 | NS00004579 | 3 | v | ||||||||
C15H13N1 | Benzenepropanenitrile, .beta.-phenyl- | 61310-06-3 | NS00010691 | 2 | v | ||||||||
C7H6O2 | Benzoic acid | 65-85-0 | NS00008785 | 2 | v | v | v | v | v | v | v | Misc. | |
C11H14O3 | Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- (9CI) | 584-44-1 | 3 | v | v | ||||||||
C20H32O2 | Benzoic acid, tridecyl ester | NS00076546 | 3 | v | |||||||||
C13H10O1 | Benzophenone | 119-61-9 | NS00010632 | 2 | v | PPCP | |||||||
C7H5N1S1 | Benzothiazole | 95-16-9 | NS00000291 | 2 | v | v | v | v | PAC | ||||
C7H5N1O1S1 | Benzothiazolone | 934-34-9 | NS00008199 | 3 | v | v | v | PPCP | |||||
C9H10O2 | Benzyl acetate | 140-11-4 | NS00002107 | 2 | v | v | v | Fragrance | PPCP | ||||
C13H20O1 | beta-Ionone | 79-77-6 | NS00001727 | 2 | v | Misc. | |||||||
C15H24 | Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl- | 242794-76-9 | 2 | v | v | v | |||||||
C18H20O2 | Bisphenol Z | 843-55-0 | NS00014633 | 1 | v | v | v | Bisphenol | |||||
C4H6O4 | Butanedioic acid | 110-15-6 | NS00002272 | 3 | v | ||||||||
C8H14O3 | butyric anhydride | 106-31-0 | NS00104298 | 3 | v | ||||||||
C8H10N4O2 | Caffeine | 58-08-2 | NS00000273 | 3 | v | PPCP | |||||||
C15H12N2O2 | Carbamazepine epoxide | 36507-30-9 | NS00000327 | 3 | v | PPCP | |||||||
C5H9N1O4S1 | Carbocysteine | 2387-59-9 | NS00006061 | 3 | v | ||||||||
C15H14O6 | Cianidanol | 154-23-4 | NS00004541 | 3 | v | Natural product | |||||||
C18H26O1 | Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl- | 1222-05-5 | NS00008760 | 2 | v | v | v | v | PPCP | ||||
C9H13N3O5 | Cytarabine | 147-94-4 | NS00005949 | 3 | v | ||||||||
C4H9NO3 | D,L-4-amino-3-hydroxybutyric acid | 352-21-6 | NS00079381 | 3 | v | v | |||||||
C12Cl10 | Decachlorobiphenyl | 2051-24-3 | NS00026668 | 2 | v | v | v | v | v | v | v | PCB | |
C11H20 | Decahydro-2-methylnaphthalene | 2958-76-1 | NS00096217 | 2 | v | v | |||||||
C11H18O4 | diethyl 1,2-cyclopentanedicarboxylate | 90474-13-8 | NS00004507 | 3 | v | ||||||||
C14H29NO7Si | Diethyl N-[3-(trimethoxysilyl)propyl]-L-aspartate | 192389-48-3 | 3 | v | |||||||||
C15H21N1O1S1 | Dimepiperate | 61432-55-1 | NS00008312 | 3 | v | ||||||||
C13H17N1O4 | Dimethachlor OXA | 1086384-49-7 | NS00000332 | 3 | v | ||||||||
C19H22N2O3S1 | Dimethoxanate | 477-93-0 | NS00006617 | 3 | v | ||||||||
C5H8O4 | dimethyl malonate | 108-59-8 | NS00104361 | 3 | v | ||||||||
C20H32O5 | Dinoprostone | 363-24-6 | NS00009026 | 3 | v | ||||||||
C17H26O4 | Embelin | 550-24-3 | NS00010319 | 3 | v | v | |||||||
C26H45N1O7S1 | Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha., 12.alpha.)- 3,7,12-trihydroxy-24-oxocholan-24-yl]amino]- | 81-24-3 | NS00002884 | 3 | v | v | Bile | PPCP | |||||
C8H8O2 | Ethanone, 2-hydroxy-1-phenyl- | 582-24-1 | NS00022418 | 2 | v | ||||||||
C20H28O3 | Etienic acid | 302-97-6 | NS00011524 | 3 | v | ||||||||
C11H18O4 | Fumaric acid, ethyl 3-methylbut-2-yl ester | 2 | v | v | v | v | v | v | |||||
C10H13N5O5 | Guanosine | 118-00-3 | NS00009027 | 3 | v | ||||||||
C17H34O | Hexadecanal, 2-methyl- | 55019-46-0 | 2 | v | v | v | v | ||||||
C17H34O | Hexadecanal, 2-methyl- | 55019-46-0 | 2 | v | v | v | v | ||||||
C16H32O2 | Hexadecanoic acid | 57-10-3 | NS00008548 | 3 | v | Saturated fatty acid | Misc. | ||||||
C19H38O2 | Hexadecanoic acid, 1-methylethyl ester | 142-91-6 | NS00009869 | 3 | v | ||||||||
C19H40O2Si | Hexadecanoic acid, trimethylsilyl ester | 55520-89-3 | 2 | v | v | v | v | v | v | ||||
C6H9N3O2 | Histidine | 4998-57-6 | NS00005578 | 3 | v | ||||||||
C9H7N1O1 | Indole-4-carboxaldehyde | 1047-86-6 | NS00015304 | 3 | v | v | v | v | v | v | |||
C10H12N4O5 | Inosine | 58-63-9 | NS00010210 | 3 | v | v | |||||||
C11H14O3 | Isobutylparaben | 4247-02-3 | NS00007256 | 3 | v | ||||||||
C11H12N2O2 | l-Tryptophan | 73-22-3 | NS00003513 | 3 | v | amino acid | PPCP | ||||||
C9H10O2 | m-Cresyl acetate | 122-46-3 | NS00012122 | 2 | v | ||||||||
C10H14O3 | Mephenesin | 59-47-2 | NS00001081 | 3 | v | ||||||||
C14H16Cl1N3O1 | Metazachlor | 67129-08-2 | NS00000249 | 3 | v | Halogenated | |||||||
C6H9N1O2 | methyl 2-cyano-2-methylpropanoate | 72291-30-6 | NS00009466 | 3 | v | ||||||||
C5H9NO2 | methyl 3-aminocrotonate | 14205-39-1 | NS00100158 | 3 | v | ||||||||
C19H38O2 | methyl isostearate | 68517-10-2 | NS00107532 | 3 | v | ||||||||
C19H38O2 | Methyl stearate | 112-61-8 | NS00001076 | 3 | v | ||||||||
C6H11N1O2 | Morpholine, 4-acetyl- | 1696-20-4 | NS00009993 | 3 | v | v | |||||||
C5H9NO2 | N-(2-hydroxyethyl)prop-2-enamide | 7646-67-5 | NS00105781 | 3 | v | ||||||||
C5H9NO2 | N-(hydroxymethyl)methacrylamide | 923-02-4 | NS00107796 | 3 | v | ||||||||
C11H20N2O5 | N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-L-alanine | 27317-69-7 | NS00004174 | 3 | v | ||||||||
C5H9NO2 | N-Formylmorpholine | 4394-85-8 | NS00105320 | 2 | v | v | v | v | v | v | v | ||
C18H38O2Si | n-Pentanoic acid, trimethylsilyl ester | 74367-22-9 | 2 | v | v | v | v | v | v | ||||
C10H16N2O4 | N,N'-ethylenebis[N-acetylacetamide] | 10543-57-4 | NS00104277 | 3 | v | ||||||||
C22H43NO3 | N,N-bis(2-hydroxyethyl)oleamide | 93-83-4 | NS00079032 | 3 | v | ||||||||
C10H21N1O1 | N,N-Dimethyloctanamide | 1118-92-9 | NS00009475 | 2 | v | v | |||||||
C10H8 | Naphthalene | 91-20-3 | NS00008377 | 2 | v | ||||||||
C15H22 | naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1s-cis)- | 483-77-2 | NS00095902 | 2 | v | ||||||||
Natural product, Br3Cl3, probably monoterpene | 5 | v | v | v | Natural product | ||||||||
C9H20O4S1 | nonyl hydrogen sulfate | 26856-96-2 | NS00005697 | 3 | v | ||||||||
C18H37NO | Octadecanamide (branched) | 3 | v | ||||||||||
C18H26O3 | Octinoxate | 5466-77-3 | NS00004841 | 3 | v | ||||||||
C14H24N2O4 | Oseltamivir acid | 187227-45-8 | NS00000302 | 3 | v | Drug | PPCP | ||||||
C5H4N4O2 | Oxypurinol | 2465-59-0 | NS00006655 | 3 | v | PPCP | |||||||
C7H8O1 | p-Cresol | 106-44-5 | NS00008242 | 3 | v | v | Misc. | ||||||
C7H6O2 | p-Hydroxybenzaldehyde | 123-08-0 | NS00014566 | 2 | v | Flavorant/ Colorant | PPCP | ||||||
C7H6O2 | p-Hydroxybenzaldehyde | 123-08-0 | NS00014566 | 3 | v | v | v | v | v | Flavorant/ Colorant | PPCP | ||
C16H33N1O1 | Palmitamide | 629-54-9 | NS00014846 | 2 | v | v | v | v | Primary fatty acid | ||||
C9H10O2 | Paroxypropione | 70-70-2 | NS00003309 | 2 | v | v | v | v | v | PPCP | |||
C12H4Cl6 | PCB-157 | 69782-90-7 | NS00099774 | 2 | v | v | v | v | v | v | v | PCB | |
C12H2Cl8 | PCB-195 | 52663-78-2 | 3 | v | v | v | v | v | v | v | PCB | ||
C12H5Br5O1 | Pentabromodiphenyl Ether | 60348-60-9 | NS00004728 | 2 | v | v | v | v | v | v | v | PBDE | |
C23H15N3O1 | Perampanel | 380917-97-5 | NS00004827 | 3 | v | ||||||||
C12F23O2 | Perfluorododecanoate | 171978-95-3 | 2 | v | v | PFAS | |||||||
C6H1F13O3S1 | Perfluorohexanesulfonic acid | 355-46-4 | NS00010279 | 2 | v | v | PFAS | ||||||
C8H1F17O3S1 | Perfluorooctanesulfonic acid | 1763-23-1 | NS00010280 | 3 | v | PFAS | |||||||
PFNS | 474511-07-4 | 2 | v | v | PFAS | ||||||||
C12H12O5 | Phenacylidene diacetate | 5062-30-6 | 2 | v | v | v | v | ||||||
C14H10 | Phenanthrene | 85-01-8 | NS00009484 | 2 | v | v | PAH and alkylated derivatives | Misc. | |||||
C24H26O2 | Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis- | 13595-25-0 | NS00006040 | 1 | v | v | v | Bisphenol | |||||
C8H6O2 | Phenylglyoxal | 1074-12-0 | NS00023460 | 2 | v | v | v | v | v | ||||
C24H38O4 | Phthalic acid, di(2-propylpentyl) ester | 2 | v | v | |||||||||
C24H38O4 | Phthalic acid, di(6-methylhept-2-yl) ester | 2 | v | v | |||||||||
C23H36O4 | Phthalic acid, hept-3-yl octyl ester | 2 | v | v | |||||||||
C23H32N2O4 | Pinoxaden | 243973-20-8 | NS00000321 | 3 | v | Phenylpyra|zolin | Herbicide | ||||||
C15H10F6O2 | Potassium 4,4'-(hexafluoroisopropylidene) diphenolate | 25088-69-1 | NS00011437 | 1 | v | v | v | Bisphenol | |||||
C31H48O2S2 | Probucol | 23288-49-5 | NS00003652 | 3 | v | Drug | PPCP | ||||||
C11H22O3 | Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2S)- | 186817-80-1 | NS00104915 | 3 | v | ||||||||
C8H11N1O3 | Pyridoxine | 65-23-6 | NS00004187 | 3 | v | Vitamin | PPCP | ||||||
C9H7NO | quinolin-8-ol | 148-24-3 | NS00106573 | v | |||||||||
C22H32O2 | retinyl acetate | 127-47-9 | NS00077313 | 3 | v | ||||||||
C15H22O3 | Salicylic acid, butyl ether, butyl ester | 2 | v | v | v | ||||||||
C25H37N1O4 | Salmeterol | 89365-50-4 | NS00010340 | 3 | v | ||||||||
C18H36O2 | stearic acid | 57-11-4 | NS00105495 | 3 | v | ||||||||
C17H25NO4 | Succinic acid, 2-(dimethylamino)ethyl 4-isopropylphenyl ester | 2 | v | v | v | v | |||||||
C10H14O2 | tert-Butylhydroquinone | 1948-33-0 | NS00010294 | 3 | v | v | synthetic aromatic organic compound | Misc. | |||||
C10H14O2 | tert-Butylhydroquinone | 1948-33-0 | NS00010294 | 2 | v | v | v | synthetic aromatic organic compound | Misc. | ||||
C17H36O2Si | Tetradecanoic acid, trimethylsilyl ester | 18603-17-3 | 2 | v | v | v | v | v | v | ||||
C9H14O3 | Tetrahydrofurfuryl methacrylate | 2455-24-5 | NS00006075 | 3 | v | ||||||||
C10H10O | Tetralinone | 529-34-0 | NS00108646 | 3 | v | Drug intermediate | PPCP | ||||||
C11H20 | trans-Decalin, 2-methyl- | 958-76-1 | 2 | v | v | ||||||||
C8H21NOSi2 | trimethylsilyl N-trimethylsilylacetamidate | 10416-59-8 | NS00106215 | 3 | v | ||||||||
C9H18Cl3O4P1 | Tris(2-chloroisopropyl)phosphate (TCPP) | 13674-84-5 | NS00009572 | 2 | v | v | v | v | v | Halogenated flame retardant | Misc. | ||
C9H17N1O3S1 | Tropine-3-mesylate | 35130-97-3 | NS00001123 | 3 | v |
Table B.3 Detected compounds in the sediment samples
Molecular Formula | Name | CAS | Norman SusDat ID | ID Level | GL | IS | FO | NO | DK | SE | FI | Comp. Info | Potential Source |
C13H10O1 | [1,1'-Biphenyl]-4-carboxaldehyde | 3218-36-8 | NS00008757 | 2 | v | v | v | v | |||||
C16H11ClN3O3 | 1-[(2-chloro-4-nitrophenyl)azo]-2-naphthol | 2814-77-9 | NS00048734 | 2 | v | Halogenated | |||||||
C4H10O3S1 | 1-Butanesulfonic acid | 2386-47-2 | NS00002697 | 2 | v | ||||||||
C11H14O4 | 1-Methyl-1,3-cyclohexadiene-5,6-diol diacetate | 3 | v | v | v | ||||||||
C18H22 | 1-Methyl-7-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene | 6566-19-4 | 3 | v | v | v | v | ||||||
C15H12 | 1-Methyl phenanthrene | 832-69-9 | NS00007467 | 2 | v | v | v | PAH and alkylated derivatives | |||||
C18H11F19O2 | 1-Phenoxy(3-(perfluoro-7-methyloctyl)propan-2-ol) | 94159-92-9 | NS00010924 | 2 | v | ||||||||
C12H6Cl4 | 1,1'-Biphenyl, 2,2',5,5'-tetrachloro- (PCB-52) (isomer) | 3 | v | v | v | v | PCB | ||||||
C9H6F12O1 | 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(vinyloxy)heptane | 78971-81-0 | NS00011205 | 2 | v | ||||||||
C13H16 | 1,2-Dihydro-1,1,6-trimethylnaphthalene | 30364-38-6 | NS00022016 | 2 | v | v | |||||||
C16H16 | 1,2-Diphenylcyclobutane, cis- | 7694-30-6 | NS00095944 | 2 | v | v | v | v | v | ||||
C13H18 | 1,2,3,4-Tetrahydro-1,6,8-trimethylnaphthalene | 30316-36-0 | 2 | v | v | ||||||||
C10H14 | 1,2,3,4-Tetramethylbenzene | 488-23-3 | NS00021173 | 2 | v | v | v | v | |||||
C10H14 | 1,2,3,5-Tetramethylbenzene | 527-53-7 | NS00009847 | 2 | v | v | v | ||||||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 2 | v | ||||||||
C10H16 | 1,5-Cyclooctadiene, 1,5-dimethyl- | 3760-14-3 | NS00030225 | 3 | v | v | v | v | |||||
C16H11N | 11H-Benzo[a]carbazole (isomer) | 3 | v | v | v | ||||||||
C16H11N | 11H-Benzo[a]carbazole (isomer)-Birgitta1 | 3 | v | v | v | ||||||||
C16H11N | 11H-Benzo[a]carbazole (isomer)-Birgitta2 | 3 | v | v | v | ||||||||
C21H14 | 13H-dibenzo[a,h]fluorene | 239-85-0 | NS00041490 | 3 | v | v | v | v | v | ||||
C9H8O1 | 1H-Inden-1-one, 2,3-dihydro- | 83-33-0 | NS00038249 | 2 | v | v | |||||||
C9H7N1O1 | 1H-Indole-3-carboxaldehyde | 487-89-8 | NS00031825 | 2 | v | v | v | v | |||||
C8H7N1S2 | 2-(Methylthio)benzothiazole | 615-22-5 | NS00007832 | 2 | v | v | Industrial additive | ||||||
C8H5Br2N | 2-Bromo-6-(3-bromo-prop-1-ynyl)-pyridine | 3 | v | v | Halogenated | ||||||||
C12H22 | 2-Ethyldecahydronaphthalene, (Z,E)- | 66660-41-1 | 2 | v | v | ||||||||
C18H18 | 2-Isopropyl-10-methylphenanthrene | 66552-97-4 | 3 | v | v | v | v | v | |||||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 2 | v | v | v | v | v | v | |||
C11H10 | 2-Methylnaphthalene | 91-57-6 | NS00002503 | 2 | v | v | v | v | v | v | |||
C8H10O2 | 2-Phenoxyethanol | 122-99-6 | NS00002984 | 2 | v | v | v | v | Germicide | Misc. | |||
C9H14O4 | 2-Propenoic acid, 2-[2-(ethenyloxy)ethoxy]ethyl ester | 86273-46-3 | NS00002987 | 2 | v | ||||||||
C20H14 | 2,2'-binaphthalene | 612-78-2 | NS00042025 | 3 | v | v | v | v | |||||
C12H5Cl5 | 2,2',3,4,6-Pentachlorobiphenyl | 55215-17-3 | 2 | v | PCB | ||||||||
C12H6Cl4 | 2,2',5,5'-Tetrachlorobiphenyl (PCB 52) | 35693-99-3 | NS00001956 | 3 | v | v | v | v | v | v | PCB | ||
C15H28 | 2,2,4,4,7,7-Hexamethyloctahydro-1H-indene | 54832-83-6 | 3 | v | v | v | v | ||||||
C17H12 | 2,3-Benzofluorene | 243-17-4 | NS00004617 | 2 | v | v | v | v | v | ||||
C6H5Cl2N1 | 2,3-Dichloroaniline | 608-27-5 | NS00008299 | 2 | v | v | Halogenated | ||||||
C12H22 | 2,3-Dimethyldecahydronaphthalene | 1008-80-6 | 3 | v | v | ||||||||
C12H5Cl5 | 2,3,3',4,4'-Pentachlorobiphenyl (PCB 105) | 32598-14-4 | NS00114177 | 2 | v | v | v | PCB | |||||
C17H16 | 2,3,5-Trimethylphenanthrene | 3674-73-5 | NS00095846 | 2 | v | v | v | v | v | PAH and alkylated derivatives | |||
C13H14 | 2,3,6-Trimethylnaphthalene | 829-26-5 | NS00038227 | 2 | v | v | v | v | v | ||||
C10H12O1 | 2,4,6-Trimethylbenzaldehyde | 487-68-3 | NS00001558 | 3 | v | v | v | ||||||
C16H20 | 2,6-Diisopropylnaphthalene | 24157-81-1 | NS00010761 | 2 | v | v | v | v | Pesticide | ||||
C9H12O2 | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione | 1125-21-9 | NS00010663 | 2 | v | v | v | v | v | v | flavorant/ fragrance | Food additive | |
C13H8F21O5P1 | 3-(Perfluorodecyl)-2-hydroxypropyl dihydrogen phosphate | 94158-70-0 | NS00010951 | 2 | v | v | |||||||
C13H20O | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- | 14901-07-6 | NS00075791 | 2 | v | v | v | ||||||
C13H16O5 | 3-Ethoxy-4-ethoxycarbonylphenylacetic acid | 99469-99-5 | NS00006678 | 2 | v | v | v | ||||||
C7H9N1O2 | 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione | 20189-42-8 | NS00010668 | 3 | v | v | v | v | v | v | |||
C7H9N1O2 | 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione | 20189-42-8 | NS00010668 | 2 | v | ||||||||
C12H24O3 | 3-Hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate | 74367-34-3 | 2 | v | v | v | v | v | v | ||||
C7H6O2 | 3-hydroxybenzaldehyde | 100-83-4 | NS00104202 | 2 | v | ||||||||
C7H7NO2 | 3-Methyl-2-vinylmaleimide | 21494-57-5 | 3 | v | v | v | v | v | v | ||||
C13H12 | 3-Methylbiphenyl | 643-93-6 | NS00022617 | 2 | v | v | v | v | |||||
C9H9N1 | 3-Methylindole | 83-34-1 | NS00013192 | 2 | v | v | |||||||
C15H12 | 3-Methylphenanthrene | 832-71-3 | NS00038244 | 2 | v | v | v | v | PAH and alkylated derivatives | ||||
C8H16O | 3,4-dimethylcyclohexan-1-ol | 5715-23-1 | NS00046141 | 2 | v | v | |||||||
C6H4Cl3N1 | 3,4,5-Trichloroaniline | 634-91-3 | NS00008472 | 2 | v | v | Halogenated | ||||||
C16H14 | 3,6-Dimethylphenanthrene | 1576-67-6 | NS00025130 | 2 | v | v | v | v | v | PAH and alkylated derivatives | |||
C14H12S | 3,7-Dimethyldibenzothiophene | 1136-85-2 | 2 | v | v | v | v | ||||||
C8H8O3 | 4-Hydroxy-3-methoxybenzaldehyde | 121-33-5 | NS00009754 | 2 | v | v | v | Flavorant | PPCP | ||||
C8H7N1O1 | 4-Hydroxyindole | 2380-94-1 | NS00013759 | 3 | v | v | v | ||||||
C15H12 | 4-Methylphenanthrene | 832-64-4 | NS00002091 | 2 | v | v | v | v | v | PAH and alkylated derivatives | |||
C20H16 | 4,12-Dimethyltetraphene | 35187-19-0 | 3 | v | v | v | v | ||||||
C14H14 | 4,4'-Dimethylbiphenyl | 613-33-2 | NS00034646 | 2 | v | v | v | v | |||||
C12H10O4S1 | 4,4'-Sulfonyldiphenol | 80-09-1 | NS00010610 | 1 | v | Bisphenol | Misc. | ||||||
C30H48O | 4,4,6a,6b,8a,11,11,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a, 9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one | 3 | v | v | v | ||||||||
C6H3F9O1 | 4:2 Fluorotelomer aldehyde | 135984-67-7 | NS00011080 | 2 | v | PFAS | |||||||
C15H8O1 | 4H-Cyclopenta(def)phenanthren-4-one | 5737-13-3 | NS00014588 | 2 | v | v | v | v | v | ||||
C11H20O2 | 5-Heptyldihydro-2(3H)-furanone | 104-67-6 | NS00008440 | 2 | v | v | Fragrance | Misc. | |||||
C11H16O2 | 5,6,7,7a-tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one | 15356-74-8 | NS00051943 | 2 | v | v | v | v | v | flavorant/ fragrance | Food additive | ||
C21H36 | 5a-pregnane | 641-85-0 | NS00042173 | 3 | v | v | v | v | |||||
C16H11N1 | 5H-Benzo(b)carbazole | 243-28-7 | NS00027618 | 2 | v | v | v | ||||||
C15H10 | 6H-Cyclobuta[jk]phenanthrene | 83469-43-6 | 2 | v | v | v | v | v | |||||
C17H12 | 7H-Benzo[c]fluorene (isomer) | 3 | v | v | v | v | v | ||||||
C17H12 | 7H-Benzo[c]fluorene (isomer)-Birgitta | 3 | v | v | v | v | v | ||||||
C17H12 | 7H-Benzo[c]fluorene (isomer)-Birgitta2 | 3 | v | v | |||||||||
C17H12 | 7H-Benzo[c]fluorene (isomer)-Birgitta3 | 3 | v | ||||||||||
C17H12 | 7H-Benzo[de]anthracene | 199-94-0 | 3 | v | v | v | v | ||||||
C19H14 | 8,9-Dihydro-7H-cyclopenta[a]pyrene | 82979-72-4 | 3 | v | v | v | v | v | |||||
C15H12 | 8,9-Dihydrocyclopenta[def] phenanthrene | 27410-55-5 | 3 | v | v | v | v | v | |||||
C10H5F17O3S1 | 8:2 Fluorotelomer sulfonic acid | 39108-34-4 | NS00011092 | 2 | v | PFAS | |||||||
C21H14 | 8H-Indeno[2,1-b]phenanthrene | 241-28-1 | 3 | v | v | v | v | ||||||
C19H12 | 9H-Cyclopenta[a]pyrene | 50861-05-7 | 2 | v | v | v | v | v | |||||
C13H10O1 | 9H-Xanthene | 92-83-1 | NS00019926 | 2 | v | v | v | v | v | Dye precursor | |||
C16H12 | Acephenanthrylene, 4,5-dihydro- | 6232-48-0 | 2 | v | v | v | v | v | |||||
C16H10S | Anthra(1,2-b)thiophene | 227-86-1 | 3 | v | v | v | v | ||||||
C14H10 | Anthracene | 120-12-7 | NS00010699 | 2 | v | v | v | v | v | v | PAH - Dye precursor | Misc. | |
C14H8O2 | Anthraquinone | 84-65-1 | NS00010810 | 2 | v | v | v | v | v | Mineral | Misc. | ||
C18H12 | Benz(a)anthracene | 56-55-3 | NS00010721 | 2 | v | v | v | v | v | v | |||
C17H11N1 | Benz[c]acridine | 225-51-4 | NS00014411 | 3 | v | v | |||||||
C17H10O1 | Benz[de]anthracen-7-one | 82-05-3 | NS00003051 | 2 | v | v | v | v | |||||
C17H28 | BENZENE, (1-BUTYLHEPTYL)- | 4537-15-9 | NS00095862 | 2 | v | v | v | v | |||||
C18H30 | BENZENE, (1-PENTYLHEPTYL)- | 2719-62-2 | NS00008712 | 2 | v | v | v | v | v | ||||
C14H14O | Benzene, 1-methyl-2-(phenylmethoxy)- | 19578-70-2 | 2 | v | v | v | v | v | |||||
C20H12 | Benzo(a)pyrene | 50-32-8 | NS00006321 | 2 | v | v | v | v | v | ||||
C21H14 | Benzo(a)pyrene, 10-methyl- | 63104-32-5 | 3 | v | v | v | v | ||||||
C20H12 | Benzo(b)fluoranthene | 205-99-2 | NS00006596 | 2 | v | v | v | v | v | PAC | |||
C17H12S | Benzo(b)naphtho(2,1-d)thiophene, 2-methyl- | 3 | v | v | v | v | |||||||
C16H10O1 | Benzo(b)naphtho(2,3-d)furan | 243-42-5 | NS00027627 | 3 | v | v | v | v | |||||
C20H12 | Benzo(e)pyrene | 192-97-2 | NS00002471 | 2 | v | v | v | v | v | ||||
C16H10O | Benzo(k l)xanthene | 200-23-7 | NS00041302 | 3 | v | v | v | v | |||||
C20H12 | Benzo(k)fluoranthene | 207-08-9 | NS00003847 | 2 | v | v | |||||||
C16H10O | Benzo[b]naphtho[1,2-d]furan | 205-39-0 | 3 | v | v | v | v | v | |||||
C16H10S | Benzo[b]naphtho[1,2-d]thiophene | 205-43-6 | 2 | v | v | v | v | v | |||||
C16H10S1 | Benzo[b]naphtho[2,1-d]thiophene | 239-35-0 | NS00027512 | 2 | v | v | v | v | |||||
C18H14S | benzo[b]naphtho[2,3-d]thiophene, 6,8-dimethyl- | 24964-16-7 | NS00095900 | 3 | v | v | v | v | |||||
C18H12 | Benzo[c]phenanthrene | 195-19-7 | NS00041480 | 2 | v | v | v | v | v | ||||
C18H10 | Benzo[ghi]fluoranthene | 203-12-3 | NS00041486 | 2 | v | v | v | v | |||||
C20H12 | Benzo[j]fluoranthene | 205-82-3 | NS00041304 | 2 | v | v | v | v | |||||
C7H6O2 | Benzoic acid | 65-85-0 | NS00008785 | 2 | v | Misc. | |||||||
C22H36O2 | Benzoic acid, pentadecyl ester | NS00076547 | 3 | v | v | v | v | v | v | ||||
C20H32O2 | Benzoic acid, tridecyl ester | NS00076546 | 3 | v | v | v | v | ||||||
C13H10O1 | Benzophenone | 119-61-9 | NS00010632 | 2 | v | v | v | v | v | v | v | PPCP | |
C7H5N1S1 | Benzothiazole | 95-16-9 | NS00000291 | 2 | v | v | v | v | v | v | PAC | ||
C13H20O1 | beta-Ionone | 79-77-6 | NS00001727 | 2 | v | v | Misc. | ||||||
C15H24 | Bicyclo[5.2.0]nonane, 2-methylene-4,8,8-trimethyl-4-vinyl- | 242794-76-9 | 2 | v | v | v | v | ||||||
C24H38O4 | Bis(2-ethylhexyl) terephthalate | 6422-86-2 | NS00007552 | 3 | v | v | v | Misc. | |||||
C13H12O2 | Bis(4-hydroxyphenyl)methane | 620-92-8 | NS00009451 | 2 | v | Bisphenol | Plastic manufactu|ring | ||||||
C12H1F26O2P1 | Bis(tridecafluorohexyl) phosphinic acid | NS00011284 | 2 | v | PFAS | ||||||||
C18H20O2 | Bisphenol Z | 843-55-0 | NS00014633 | 1 | v | v | v | v | Bisphenol | ||||
C18H26O1 | Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl- | 1222-05-5 | NS00008760 | 2 | v | v | v | PPCP | |||||
C11H20 | Decahydro-2-methylnaphthalene | 2958-76-1 | NS00096217 | 2 | v | v | |||||||
C12H8O1 | Dibenzofuran | 132-64-9 | NS00010742 | 2 | v | v | v | v | v | Heterocyclic organic compound | |||
C13H16O | Ethanone, 1-(2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)- | 55591-10-1 | 3 | v | v | v | v | ||||||
C8H8O2 | Ethanone, 2-hydroxy-1-phenyl- | 582-24-1 | NS00022418 | 2 | v | v | v | v | |||||
C16H10 | Fluoranthene | 206-44-0 | NS00010700 | 2 | v | v | v | v | v | v | PAC | ||
C13H10 | Fluorene | 86-73-7 | NS00010698 | 2 | v | v | v | v | v | PAH | |||
C11H18O4 | Fumaric acid, ethyl 3-methylbut-2-yl ester | 2 | v | v | v | v | |||||||
C19H40O2Si | Hexadecanoic acid, trimethylsilyl ester | 55520-89-3 | 2 | v | v | v | v | v | v | ||||
C30H50 | Hop-22(29)-ene | 1615-91-4 | 3 | v | v | v | v | ||||||
C22H12 | Indeno(1,2,3-cd)fluoranthene | 193-43-1 | NS00073880 | 2 | v | v | v | v | |||||
C22H12 | Indeno(1,2,3-cd)pyrene | 193-39-5 | NS00008394 | 2 | v | v | v | v | |||||
C8H7N1 | Indole | 120-72-9 | NS00010849 | 2 | v | v | v | ||||||
C9H7N1O1 | Indole-4-carboxaldehyde | 1047-86-6 | NS00015304 | 2 | v | v | v | v | v | v | |||
C11H14O3 | Isobutylparaben | 4247-02-3 | NS00007256 | 2 | v | v | |||||||
C20H30O2 | Isopimaric acid | 5835-26-7 | NS00022421 | 2 | v | v | v | v | |||||
C30H48O | Lup-20(29)-en-3-one | 1617-70-5 | 3 | v | v | v | |||||||
C7H4Cl1N1O1 | m-Chlorophenyl isocyanate | 2909-38-8 | NS00007754 | 3 | v | v | Halogenated | ||||||
C5H10O4S | mercaptoacetic acid, monoester with propane-1,2,3-triol | 30618-84-9 | NS00106955 | 2 | v | ||||||||
C9H10O2 | Methyl phenylacetate | 101-41-7 | NS00001353 | 2 | v | v | v | flavorant/ fragrance | Misc. | ||||
C6H11N1O2 | Morpholine, 4-acetyl- | 1696-20-4 | NS00009993 | 3 | v | ||||||||
C5H9NO2 | N-Formylmorpholine | 4394-85-8 | NS00105320 | 2 | v | v | |||||||
C10H8 | Naphthalene | 91-20-3 | NS00008377 | 2 | v | v | v | v | |||||
C15H22 | naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1s-cis)- | 483-77-2 | NS00095902 | 2 | v | v | v | v | |||||
C12H12 | Naphthalene, dimethyl-Birgitta1 | 3 | v | v | v | v | v | ||||||
C12H12 | Naphthalene, dimethyl-Birgitta2 | 3 | v | v | v | v | v | ||||||
C18H10O1 | Naphtho(2,1,8,7-klmn)xanthene | 191-37-7 | NS00026242 | 3 | v | v | v | v | v | ||||
C7H8O1 | p-Cresol | 106-44-5 | NS00008242 | 2 | v | v | Misc. | ||||||
C7H6O2 | p-Hydroxybenzaldehyde | 123-08-0 | NS00014566 | 2 | v | v | v | v | v | v | v | Flavorant/ Colorant | PPCP |
C12H1F23O2 | Perfluorododecanoic acid | 307-55-1 | NS00009617 | 2 | v | PFAS | |||||||
C6H1F13O3S1 | Perfluorohexanesulfonic acid | 355-46-4 | NS00010279 | 2 | v | PFAS | |||||||
C8H2F17N1O2S1 | Perfluorooctanesulfonamide | 754-91-6 | NS00010967 | 2 | v | PFAS | |||||||
C20H12 | Perylene | 198-55-0 | NS00007842 | 2 | v | v | v | v | v | Misc. | |||
C6HF11O2 | PFHxA | 307-24-4 | NS00104040 | 2 | v | v | v | v | v | PFAS | |||
PFNS | 474511-07-4 | 2 | v | PFAS | |||||||||
C12H12O5 | Phenacylidene diacetate | 5062-30-6 | 2 | v | v | ||||||||
C13H8O | Phenalen-1-one | 548-39-0 | NS00043912 | 2 | v | v | v | v | v | ||||
C14H10 | Phenanthrene | 85-01-8 | NS00009484 | 2 | v | v | v | v | v | v | PAH and alkylated derivatives | Misc. | |
C16H14 | Phenanthrene, 4,5-dimethyl- (8CI)(9CI) | 3674-69-9 | NS00095887 | 2 | v | v | v | v | v | PAH and alkylated derivatives | |||
C15H12 | Phenanthrene, methyl- | 3 | v | PAH and alkylated derivatives | |||||||||
C6H5Br1O1 | Phenol, 3-bromo- | 591-20-8 | NS00034092 | 2 | v | v | Halogenated | ||||||
C24H26O2 | Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis- | 13595-25-0 | NS00006040 | 1 | v | v | v | v | Bisphenol | ||||
C24H38O4 | Phthalic acid, di(2-propylpentyl) ester | 2 | v | ||||||||||
C23H36O4 | Phthalic acid, hept-3-yl octyl ester | 2 | v | v | v | v | v | v | |||||
C22H34O4 | Phthalic acid, nonyl 2-pentyl ester | 2 | v | v | v | ||||||||
C15H10F6O2 | Potassium 4,4'-(hexafluoroisopropylidene) diphenolate | 25088-69-1 | NS00011437 | 1 | v | Bisphenol | |||||||
C16H10 | Pyrene | 129-00-0 | NS00010701 | 2 | v | v | v | v | v | v | PAH | Misc. | |
C15H22O3 | Salicylic acid, butyl ether, butyl ester | 2 | v | v | v | v | |||||||
C15H14N4O2S1 | Sulfaphenazole | 526-08-9 | NS00006369 | 2 | v | ||||||||
C12H22O2 | trans-4-tert-butylcyclohexyl acetate | 1900-69-2 | NS00081890 | 2 | v | v | |||||||
C11H20 | trans-Decalin, 2-methyl- | 958-76-1 | 2 | v | v | ||||||||
C9H14O6 | Triacetin | 102-76-1 | NS00010706 | 2 | v | v | v | v | Misc. | ||||
C21H44O2Si | Trimethylsilyl stearate | 18748-91-9 | NS00048143 | 2 | v | ||||||||
C18H12 | Triphenylene | 217-59-4 | NS00026961 | 2 | v | v | v | v | v | v | PAH | ||
C9H18Cl3O4P1 | Tris(2-chloroisopropyl)phosphate (TCPP) | 13674-84-5 | NS00009572 | 2 | v | v | v | v | v | v | Halogenated flame retardant | Misc. | |
C18H28O2 | Undecyl benzoate | 6316-30-9 | NS00096101 | 3 | v | v | v | v | v | v | PPCP |
Birgitta Andreasen, Bert van Bavel, Stellan Fischer, Peter Haglund, Pawel Rostkowski, Malcom J. Reid, Saer Samanipour, Martin Schlabach, Cathrin Veenaas and Maria Dam
ISBN 978-92-893-7055-4 (PDF)
ISBN 978-92-893-7056-1 (ONLINE)
http://dx.doi.org/10.6027/temanord2021-526
TemaNord 2021:526
ISSN 0908-6692
© Nordic Council of Ministers 2021
Cover photo: Brian Holm Nielsen/ Colourbox.com
Published: 28.6.2021
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