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<p><span dir="auto"><span class="autocomment">Comparison with previous studies</span></span></p>
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{{OR/18/052}}<br />
==Key substances with high frequency of detection==<br />
Table 4.1 shows the ten most frequently detected substances by the GC-MS method and summary details of their regulation. Six are pesticides, or their TPs, or halogenated solvents and are covered by the Drinking Water Directive (DWD 98/83/EC). Four of these are hazardous or priority hazardous substances under by the Priority Substances Directive (2008/105/EC). Two of these also appear in Annex XIV of the REACH Regulations. None are on the surface water watch list (SWWL), which is linked to the Water Framework Directive (2000/60/EC and later amended by 2008/32/EC).<br />
<br />
<center><br />
{| class="wikitable"<br />
<span id="Table 4.1"></span><br />
|+ Table 4.1&nbsp;&nbsp;&nbsp;&nbsp;Regulation of GC-MS frequently detected substances.<br />
|- style="vertical-align:top;"<br />
| rowspan="2" |'''Substance'''<br />
| rowspan="2" |'''Type'''<br />
| rowspan="2" |'''Use'''<br />
| colspan="4" | <p align="center">'''Regulation<sup>a&b</sup>'''</p><br />
|- style="vertical-align:top;"<br />
| '''DWD<sup>a</sup>'''<br />
| '''Limit (μg/L)'''<br />
| '''Other'''<br />
| '''Status'''<br />
|- style="vertical-align:top;"<br />
| ! scope="col" style="width: 100px;" | Atrazine<br />
| ! scope="col" style="width: 100px;" | Pesticide<br />
| ! scope="col" style="width: 175px;" | Herbicide<br />
| ! scope="col" style="width: 75px;" | Y<br />
| ! scope="col" style="width: 100px;" | 0.1 (0.5 total)<br />
| ! scope="col" style="width: 100px;" | PPP<sup>b</sup><br>PSD<sup>a</sup><br />
| ! scope="col" style="width: 150px;" | Withdrawn Hazardous substance<br />
|- style="vertical-align:top;"<br />
| TCE<br />
| Halogenated solvent<br />
| Degreaser and feedstock for CFCs<br />
| Y<br />
| 10 (PCE+TCE)<br />
| PSD<sup>a</sup><br>REACH<br><sup>b</sup>Annex XIV<br />
| Equivalent to Priority substance SVHC<br />
|- style="vertical-align:top;"<br />
| BPA<br />
| Plasticiser<br />
| Polycarbonates and epoxy coatings<br />
| N<br />
<br />
|<br />
| Food contact<br>REACH<sup>b</sup><br />
| Food packaging for infants ECHA candidate<br />
|- style="vertical-align:top;"<br />
<br />
| Dimethyl succinate<br />
<br />
| PPCL<br />
| Flavouring fragrance plus industrial<br />
| N<br />
<br />
|<br />
<br />
|<br />
<br />
|<br />
<br />
|- style="vertical-align:top;"<br />
<br />
| Desethyl-atrazine<br />
<br />
| Pesticide<br />
| Herbicide TP<br />
| Y<br />
| 0.1 (0.5 total)<br />
<br />
|<br />
<br />
| Parent withdrawn<br />
|- style="vertical-align:top;"<br />
| PCE<br />
| Halogenated solvent<br />
| Degreaser, dry cleaning<br />
| Y<br />
| 10 (PCE+TCE)<br />
| PSD<sup>a</sup><br>REACH<br><sup>b</sup>Annex XIV<br />
| Equivalent to Priority substance SVHC<br />
|- style="vertical-align:top;"<br />
| DEET<br />
| PPCL<br />
| Insect repellent<br />
| N<br />
<br />
|<br />
<br />
| Biocide regs<sup>b</sup><br />
<br />
|<br />
<br />
|- style="vertical-align:top;"<br />
<br />
| Cyclo-hexanone<br />
<br />
| Industrial<br />
| Nylon precursor and many other uses<br />
| N<br />
<br />
|<br />
<br />
|<br />
<br />
|<br />
<br />
|- style="vertical-align:top;"<br />
| Fluoranthene<br />
| PAH<br />
| Waste product<br />
| Y<br />
<br />
|<br />
<br />
| PSD<sup>a</sup><br />
| Priority substance<br />
|- style="vertical-align:top;"<br />
<br />
| Pyrene<br />
<br />
| PAH<br />
| Waste product<br />
| Y<br />
<br />
|<br />
<br />
| SVHC<sup>b</sup><br />
<br />
|<br />
|}<br />
<br />
</center><br />
<br />
<span style="font-size:86%">DWD – Drinking Water Directive, PPP – Plant Protection Products regulation, PSD – Priority Substances Directive, SVHC – substance of very high concern (REACH Regulations).<br><sup>a</sup>end-of-pipe regulation and <sup>b</sup>Source regulation.</span><br />
<br><br />
<br />
<br><br />
Table 4.2 shows the ten most frequently detected substances by the LC-MS method and summary details of their regulation. Six are pesticides, or their TPs, and covered by the Drinking Water Directive; four are common to Table 4.1 Three of these are hazardous or priority hazardous substances under by the Priority Substance Directive. Two are industrial/flame retardants which appear in Annex XVII of the REACH Regulations. One of the pesticides is on the SWWL.<br />
<br />
<center><br />
{| class="wikitable"<br />
<span id="Table 4.2"></span><br />
|+ Table 4.2&nbsp;&nbsp;&nbsp;&nbsp;Regulation of LC-MS frequently detected substances.<br />
|- style="vertical-align:top;"<br />
| rowspan="2" |'''Substance'''<br />
| rowspan="2" |'''Type'''<br />
| rowspan="2" |'''Use'''<br />
| colspan="4" | <p align="center">'''Regulation<sup>a&b</sup>'''</p><br />
|- style="vertical-align:top;"<br />
| '''DWD<sup>a</sup>'''<br />
| '''Limit (μg/L)'''<br />
| '''Other'''<br />
| '''Status'''<br />
|- style="vertical-align:top;"<br />
| ! scope="col" style="width: 100px;" | Deisopropyl-atrazine<br />
| ! scope="col" style="width: 100px;" | Pesticide<br />
| ! scope="col" style="width: 175px;" | Herbicide TP<br />
| ! scope="col" style="width: 75px;" | Y<br />
| ! scope="col" style="width: 100px;" | 0.1 (0.5 total)<br />
<br />
| ! scope="col" style="width: 100px;" | <br />
| ! scope="col" style="width: 150px;" | Parent withdrawn<br />
|- style="vertical-align:top;"<br />
| Simazine<br />
| Pesticide<br />
| Herbicide<br />
| Y<br />
| 0.1 (0.5 total)<br />
| PPP<sup>b</sup><br>PSD<br />
| Withdrawn Hazardous substance<br />
|- style="vertical-align:top;"<br />
| Atrazine<br />
| Pesticide<br />
| Herbicide<br />
| Y<br />
| 0.1 (0.5 total)<br />
| PPP<sup>b</sup><br>PSD<sup>a</sup><br />
| Withdrawn Hazardous substance<br />
|- style="vertical-align:top;"<br />
| Diuron<br />
| Pesticide<br />
| Herbicide<br />
| Y<br />
| 0.1 (0.5 total)<br />
| PPP<sup>b</sup><br>PSD<sup>a</sup><br />
| Withdrawn Hazardous substance<br />
|- style="vertical-align:top;"<br />
| Carbamazepine<br />
| Pharmaceutical<br />
<br />
| Epilepsy/bipolar disorder<br />
<br />
| N<br />
<br />
|<br />
<br />
|<br />
<br />
|<br />
|- style="vertical-align:top;"<br />
| Clopidol<br />
| Pharmaceutical<br />
| Veterinary<br />
<br />
| N<br />
<br />
|<br />
<br />
|<br />
<br />
|<br />
<br />
|- style="vertical-align:top;"<br />
| PFOA<br />
| Perfluorinated organic<br />
| Industrial<br />
| N<br />
|<br />
<br />
| REACH<br><sup>b</sup>Annex XVII<br />
<br />
| Restricted in consumer products<br />
|- style="vertical-align:top;"<br />
| Clothianidin<br />
| Pesticide<br />
| Neonicotinoid<br />
| Y<br />
| 0.1 (0.5 total)<br />
| SWWL<sup>a</sup><br />
| Monitored<br />
|- style="vertical-align:top;"<br />
| PFOS<br />
| Perfluorinated organic<br />
| Industrial<br />
| N<br />
|<br />
| PSD<sup>a</sup><br>REACH<br><sup>b</sup>Annex XVII<br />
| Priority substance Restricted<br />
|}<br />
</center><br />
<br />
<span style="font-size:86%">DWD – Drinking Water Directive, PPP – Plant Protection Products regulation, PSD – Priority Substances Directive, SWWL – surface water watch list.<br><sup>a</sup>end-of-pipe regulation and <sup>b</sup>Source regulation.</span><br />
<br><br />
<br />
<br><br />
In some cases a substance can belong to more than one regulatory regime, these are summarised by key substances types in Table 4.3.<br />
<br />
<center><br />
{| class="wikitable"<br />
<span id="Table 4.3"></span><br />
|+ Table 4.3&nbsp;&nbsp;&nbsp;&nbsp;Current EU chemical substance source regulations.<br />
| ! scope="col" style="width: 250px;" | '''Chemical Substance Type'''<br />
| ! scope="col" style="width: 300px;" | '''European Legislative Body (Regulation)'''<br />
|- style="vertical-align:top;"<br />
| Industrial & consumer chemicals<br />
| ECHA (No. 1907/2006)<br />
|- style="vertical-align:top;"<br />
| Human pharmaceuticals<br />
| EMA, EMEA/CHMP/SWP/4447/0<br />
|- style="vertical-align:top;"<br />
| Veterinary medicines<br />
| EMA<br />
|- style="vertical-align:top;"<br />
| Plant protection products<br />
| EFSA (EC 1107/2009)<br />
|- style="vertical-align:top;"<br />
| Biocides<br />
| ECHA (EU 528/2012)<br />
<br />
|}<br />
</center><br />
<span style="font-size:86%">ECHA – European Chemicals Agency, EMA – European Medicines Agency, EFSA – European Food Safety Authority.</span><br />
<br />
==Comparison with previous studies==<br />
Most of the GC-MS data is common to this study and previous BGS studies reported in 2012 and 2016 which used Environment Agency monitoring data, but the current study differs in several respects:<br />
<br />
* It contains more recent data up to 2018<br />
* It has been restricted to GC-MS targeted screening data only, whereas the other studies also included some data provided by other analytical methods, e.g. SVOCs<br />
* The GC-MS method is continuously updated with new compounds being introduced and identification algorithms being improved to reduce false positives.<br />
<br />
[[Image:OR18052fig4.1.jpg|thumb|center|600px| '''Figure 4.1'''&nbsp;&nbsp;&nbsp;&nbsp;Top 30 most frequently detected compounds from 2016 assessment. ]]<br />
<br />
Figure 4.1 shows frequency data from the 2016 study (Manamsa et al., 2016<ref name="Manamsa 2016">MANAMSA, K, CRANE, E, STUART, M, TALBOT, J, LAPWORTH, D, and HART, A. 2016. A national-scale assessment of micro-organic contaminants in groundwater of England and Wales. Science of the Total Environment, 568, 712–726</ref>). There are fewer detections overall in the current study as results from methods other than GC-MS have been excluded. Similar compounds remain prominent in the current study in most frequent positions:<br />
<br />
* The pesticide atrazine remains the most frequently detected compound but its desethyl TP is less prominent in this dataset<br />
* The halogenated solvents TCE and PCE are found at higher relative frequencies as are the plasticisers BPA and DEET, and the industrial compounds cyclohexanone, dimethyl succinate and dimethyl adipate<br />
* Caffeine has become less prominent as have some PAHs.<br />
<br />
Figure 4.2 shows maximum concentration data from the 2016 study. Compounds in Figure 4.2 do not compare very well with the current study ([[Media:OR18052fig3.3.jpg |''see'' Figure 3.3]]). This reflects the exclusion of data from non-GC-MS screening methods in this review and also that these maximum concentrations may be random outliers and do not reflect typical concentrations.<br />
<br />
The halogenated solvents are less prominent in the current study than in Figure 4.2 and particularly reflect the exclusion of solvent data from non-GC-MS methods. Plasticisers remain prominent and BBSA is the most frequently detected compound in the current study. Of the PPCL compounds, dimethyl succinate did not appear in the top 30 in 2016.<br />
<br />
[[Image:OR18052fig4.2.jpg|thumb|center|600px| '''Figure 4.2'''&nbsp;&nbsp;&nbsp;&nbsp;Top 30 maximum concentrations from 2016 assessment. ]]<br />
<br />
==Implications for using quantitative analytical suites==<br />
===Compounds detected===<br />
Many of the most frequently detected compounds in the GC-MS results would not be detected by the dedicated suites currently used by the Environment Agency. These dedicated suites are shown in Table 4.4.<br />
<br />
<center><br />
{| class="wikitable"<br />
<span id="Table 4.4"></span><br />
|+ Table 4.4&nbsp;&nbsp;&nbsp;&nbsp;Environment Agency quantitative suites.<br />
|- style="vertical-align:top;"<br />
| ! scope="col" style="width: 100px;" | '''Suite code'''<br />
| ! scope="col" style="width: 150px;" | '''Suite name'''<br />
| ! scope="col" style="width: 300px;" | '''Typical member'''<br />
| ! scope="col" style="width: 150px;" | '''LOD (μg/L)'''<br />
|- style="vertical-align:top;"<br />
| GWQM01<br />
| ONP pesticides<br />
| Atrazine & TPs, diazinon<br />
| 0.001–0.02<br />
|- style="vertical-align:top;"<br />
| GWQM02<br />
| ONC pesticides<br />
| Trichlorobenzene, diclobenil, PCBs, aldrin<br />
| 0.001–0.02<br />
|- style="vertical-align:top;"<br />
| GWQM03<br />
| Acid herbicides<br />
| Bentazone, clopyralid, mecaprop<br />
| 0.005–0.04<br />
|- style="vertical-align:top;"<br />
| GWQM04<br />
| Urons/urocarbs<br />
| Azoxystrobin, carbendazim, isoproturon<br />
| 0.005–0.1<br />
|- style="vertical-align:top;"<br />
| GWQM05<br />
| Phenols<br />
| Chlorophenols<br />
| 0.002<br />
|- style="vertical-align:top;"<br />
| GWQM06<br />
| VOCs<br />
| Halogenated solvents, BTEX<br />
| 0.01–0.5<br />
|- style="vertical-align:top;"<br />
| GWQM07<br />
| PAH<br />
| Anthracene, chrysene, fluoranthene<br />
| 0.01<br />
|- style="vertical-align:top;"<br />
| GWQM08<br />
| Pyrethroids<br />
| Cypermethrin<br />
| 0.00001–0.0001<br />
|- style="vertical-align:top;"<br />
| GWQM09<br />
| Discretionary<br />
| Chlormequat, fluazaflop-butyl<br />
| 0.01–0.2<br />
|- style="vertical-align:top;"<br />
|<br />
| Special-site-by-site<br />
| Glyphosate, AMPA, metaldehyde<br />
| 0.01–0.1<br />
|- style="vertical-align:top;"<br />
|<br />
| PFOS/PFOA<br />
<br />
|<br />
| 0.005–0.1<br />
|}<br />
</center><br />
<br />
Table 4.5 indicates that 60% (30/50) of the top 50 compounds found by the GC-MS method do not appear in the standard suites. These are predominantly industrial, plasticisers and PPCL compounds with a small number of pesticides and pesticide TPs.<br />
<br />
<center><br />
{| class="wikitable"<br />
<span id="Table 4.5"></span><br />
|+ Table 4.5&nbsp;&nbsp;&nbsp;&nbsp;Compounds detected by GC-MS screen not present in standard suites.<br />
|- style="vertical-align:top;"<br />
| ! scope="col" style="width: 65px;" | '''Ranking'''<br />
| ! scope="col" style="width: 100px;" | '''CAS Number'''<br />
| ! scope="col" style="width: 250px;" | '''Analyte'''<br />
| ! scope="col" style="width: 200px;" | '''Short name'''<br />
| ! scope="col" style="width: 75px;" | '''Use code *'''<br />
|- style="vertical-align:top;"<br />
| '''G03'''<br />
| 80057<br />
| Bisphenol A<br />
| BPA<br />
| Plast<br />
|- style="vertical-align:top;"<br />
| '''G04'''<br />
| 106650<br />
| Butanedioic acid, dimethyl ester<br />
| Dimethyl succinate<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G07'''<br />
| 134623<br />
| N,N-Diethyl-m-toluamide<br />
| DEET<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G08'''<br />
| 108941<br />
| Cyclohexanone<br />
| Cyclohexanone<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G12'''<br />
| 123911<br />
| 1,4-Dioxane<br />
| 1,4-dioxane<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G13'''<br />
| 58082<br />
| Caffeine<br />
| Caffeine<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G14'''<br />
| 117817<br />
| Bis(2-ethylhexyl)phthalate (DEHP)<br />
| DEHP<br />
| Plast<br />
|- style="vertical-align:top;"<br />
| '''G15'''<br />
| 627930<br />
| Dimethyl adipate<br />
| Dimethyl adipate<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G18'''<br />
| 115866<br />
| Triphenyl phosphate<br />
| TPPA<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G20'''<br />
| 2008584<br />
| 2,6-Dichlorobenzamide<br />
| BAM<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''G21'''<br />
| 3622842<br />
| Benzenesulfonamide, N-butyl-<br />
| BBSA<br />
| Plast<br />
|- style="vertical-align:top;"<br />
| '''G22'''<br />
| 119619<br />
| Benzophenone<br />
| Benzophenone<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G24'''<br />
| 126863<br />
| 2,4,7,9-Tetramethyl-5-decyne- 4,7-diol<br />
| TMDD<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| G25<br />
| 87412<br />
| 1(3H)-Isobenzofuranone<br />
| 1(3H)-isobenzofuranone<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G26'''<br />
| 77732093<br />
| Oxadixyl<br />
| Oxadixyl<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''G27'''<br />
| 131113<br />
| Dimethyl phthalate<br />
| DMP<br />
| Plast<br />
|- style="vertical-align:top;"<br />
| '''G29'''<br />
| 101371<br />
| 2,4,6-Triallyloxy-1,3,5-triazine<br />
| TTT<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G30'''<br />
| 115968<br />
| Tri-(2-chloroethyl) phosphate<br />
| Tri-(2-chloroethyl) phosphate<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G32'''<br />
| 122394<br />
| Diphenylamine<br />
| Diphenylamine<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''G35'''<br />
| 1241947<br />
| 2-Ethylhexyl diphenyl phosphate<br />
| 2-ethylhexyl diphenyl phosphate<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G38'''<br />
| 298464<br />
| Carbamazepine<br />
| Carbamazepine<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G40'''<br />
| 128370<br />
| Butylated hydroxytoluene<br />
| BHT<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G42'''<br />
| 131577<br />
| Benzophenone-3<br />
| Benzophenone-3<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G43'''<br />
| 94133<br />
| Propylparaben<br />
| Propylparaben<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G44'''<br />
| 314409<br />
| Bromacil<br />
| Bromacil<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''G46'''<br />
| 96764<br />
| 2,4-Di-tert-butylphenol<br />
| 2,4-DTBP<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G47'''<br />
| 132649<br />
| Dibenzofuran<br />
| Dibenzofuran<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''G48'''<br />
| 77907<br />
| Tributyl acetylcitrate<br />
| ATBC<br />
| Plast<br />
|- style="vertical-align:top;"<br />
| '''G49'''<br />
| 2440224<br />
| Drometrizole<br />
| Drometrizole<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''G50'''<br />
| 93049<br />
| 2-Methyoxynaphthalene<br />
| Nerolin<br />
| Indu<br />
|}<br />
</center><br />
<br />
<center><br />
{| class="wikitable"<br />
<span id="Table 4.6"></span><br />
|+ Table 4.6&nbsp;&nbsp;&nbsp;&nbsp;Compounds detected by LC-MS screen not present in standard suites.<br />
|- style="vertical-align:top;"<br />
| ! scope="col" style="width: 65px;" | '''Ranking'''<br />
| ! scope="col" style="width: 100px;" | '''CAS Number'''<br />
| ! scope="col" style="width: 250px;" | '''Analyte'''<br />
| ! scope="col" style="width: 200px;" | '''Short name'''<br />
| ! scope="col" style="width: 75px;" | '''Use code *'''<br />
|- style="vertical-align:top;"<br />
| '''L06'''<br />
| 298464<br />
| Carbamazepine<br />
| Carbamazepine<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L07'''<br />
| 2971906<br />
| Clopidol<br />
| Clopidol<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L09'''<br />
| 210880925<br />
| Clothianidin<br />
| Clothianidin<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L11'''<br />
| 723466<br />
| Sulfamethoxazole<br />
| Sulfamethoxazole<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L12'''<br />
| 84057841<br />
| Lamotrigine<br />
| Lamotrigine<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L18'''<br />
| 17254807<br />
| Chloridazon-desphenyl-methyl<br />
| CDM<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L19'''<br />
| 56038132<br />
| Sucralose<br />
| Sucralose<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L21'''<br />
| 133855988<br />
| Epoxiconazole<br />
| Epoxiconazole<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L22'''<br />
| 188425856<br />
| Boscalid (Nicobifen)<br />
| Boscalid<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L23'''<br />
| 138261413<br />
| Imidacloprid<br />
| Imidacloprid<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L25'''<br />
| 120068373<br />
| Fipronil<br />
| Fipronil<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L27'''<br />
| 63741<br />
| Sulfanilamide<br />
| Sulfanilamide<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L28'''<br />
| 115286<br />
| 1,4,5,6,7,7-Hexachloro-5- norbornene-2,3-dicarboxylic acid<br />
| Chlorendic acid<br />
| Indu<br />
|- style="vertical-align:top;"<br />
| '''L33'''<br />
| 27203925<br />
| Tramadol<br />
| Tramadol<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L36'''<br />
| 142459583<br />
| Flufenacet (Fluthiamide) (BAY FOE 5043)<br />
| Flufenacet<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L38'''<br />
| 5915413<br />
| Terbuthylazine<br />
| Terbuthylazine<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L39'''<br />
| 239110157<br />
| Fluopicolide<br />
| Fluopicolide<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L41'''<br />
| 107534963<br />
| Tebuconazole (Terbuconazole)<br />
| Tebuconazole<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L42'''<br />
| 153719234<br />
| Thiamethoxam<br />
| Thiamethoxam<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L43'''<br />
| 137586<br />
| Lidocaine (Diocaine)<br />
| Lidocaine<br />
| PPCL<br />
|- style="vertical-align:top;"<br />
| '''L44'''<br />
| 120983644<br />
| Desthio-prothioconazole<br />
| Desthio-prothioconazole<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L45'''<br />
| 2163691<br />
| Cycluron<br />
| Cycluron<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L46'''<br />
| 87674688<br />
| Dimethenamid (SAN 582H)<br />
| Dimethenamid<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L47'''<br />
| 422556089<br />
| Pyroxsulam<br />
| Pyroxsulam<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L48'''<br />
| 64902723<br />
| Chlorsulfuron<br />
| Chlorsulfuron<br />
| Pest<br />
|- style="vertical-align:top;"<br />
| '''L49'''<br />
| 21087649<br />
| Metribuzin<br />
| Metribuzin<br />
| Pest<br />
|}<br />
</center><br />
Table 4.6 shows that the situation is similar for the LC-MS screen with 27 of 50 compounds detected not present in the standard suites. These are mainly pesticides, including TPs, and PPCL compounds.<br />
<br />
===Comparison of LODs===<br />
LODs for the top 50 compounds for the GC-MS screen are shown in [[OR/18/052 Results from GC-MS and LC-MS datasets #Table 3.1|Table 3.1]]. These are predominantly 0.01 μg/L with higher limits for four compounds, the industrial compound TMDD, the food additive BHT, and the plasticisers BBSA and DEHP.<br />
<br />
LODs for the top 50 compounds for the LC-MS screen are shown in [[OR/18/052 Results from GC-MS and LC-MS datasets#Table 3.2|Table 3.2]]. These are predominantly an order of magnitude lower at 0.001 μg/L increasing for perfluorinated compounds, and also for the PPCLs sucralose, sulphanilamide and sulfamethoxazole, and the pesticides boscalid, trietazine and mecaprop.<br />
<br />
The ranges of LODs for Environment Agency quantitative analytical suites are shown in Table 4.3. These are of a similar order of magnitude to the LC-MS method with higher limits for PAHs and difficult compounds, such as the pesticides chlormequat, glyphosate and metaldehyde.<br />
<br />
===Confidence===<br />
A third element must be the increased confidence in identification and quantification provided by the quantitative suites.<br />
<br />
===Case study on pesticides===<br />
Jenkins and Davy (2016)<ref name="Jenkins 2016">JENKINS, J, and DAVEY, A. 2016. A comparison of the direct analysis and LC-MS methods for monitoring pesticides in CSF catchments. WRc Report UC111343.03 for the Environment Agency. </ref> report on the comparison between quantitative suites and the target based LC-MS method for pesticides in six Catchment Sensitive Farming (CSF) examples. Key determinands in this study were propyzamide, metazachlor, atrazine, diazinion, ethofumasate, MCPP, simazine, mecoprop, carbetamide and 2,4-D.<br />
<br />
They found that overall the methods produced comparable results. There was a higher degree of scatter in the relationship at lower concentrations indicating that one or both of the methods was less accurate for concentrations close to the LOD. The target based LC-MS method was less precise and it was assessed that there was an increased risk of false positives. However the target based method had a lower LOD for many of the compounds used in this example.<br />
<br />
==References==<br />
<br />
{{reflist}}<br />
<br />
[[Category:OR/18/052 Micro-organic contaminants in groundwater in England: summary results from the Environment Agency LC-MS and GC-MS screening data | 07]]</div>
geosource>Ajhil