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. 2019 Nov 28;19:83. doi: 10.1186/s12896-019-0574-y

Table 1.

Names and chemical structures of the 21 emerging pollutants used in this study and their LC-MSMS parameters

Category Emerging pollutant Structure Retention Time (min) MRM Transition (m/z) Dwell time (ms) Frag-mentor Voltage (V) Collision Energy (V) Polarity
1 Antibiotic Roxithromycin graphic file with name 12896_2019_574_Figa_HTML.gif 11.6 837 ➔ 680 200 135 20 Positive
2 Lincomycin-HCl graphic file with name 12896_2019_574_Figb_HTML.gif 7.6 407 ➔ 359 200 135 20 Positive
3 Norfloxacin graphic file with name 12896_2019_574_Figc_HTML.gif 8.2 320 ➔ 302 200 135 20 Positive
4 Trimethoprim graphic file with name 12896_2019_574_Figd_HTML.gif 7.9 291 ➔ 230 200 135 20 Positive
5 Sulfamethoxazole graphic file with name 12896_2019_574_Fige_HTML.gif 9.3 254 ➔ 156 200 135 20 Positive
6 Antidepressant Venlafaxine-HCl graphic file with name 12896_2019_574_Figf_HTML.gif 9.4 278 ➔ 260 200 135 10 Positive
7 Antioxidant Caffeic acid graphic file with name 12896_2019_574_Figg_HTML.gif 7.8 181 ➔ 163 200 135 20 Positive
8 Anti-seizure drug Phenytoin graphic file with name 12896_2019_574_Figh_HTML.gif 11.1 253 ➔ 182 200 135 10 Positive
9 Diuretic drug Hydrochloro-thiazide graphic file with name 12896_2019_574_Figi_HTML.gif 6.4 296 ➔ 269 70 140 20 Negative
10 Furosemide graphic file with name 12896_2019_574_Figj_HTML.gif 11 329 ➔ 285 70 140 15 Negative
11 Beta-blocker (high blood pressure drug) Atenolol graphic file with name 12896_2019_574_Figk_HTML.gif 7.1 267 ➔ 190 200 135 20 Positive
12 Fungicide Thiabendazole graphic file with name 12896_2019_574_Figl_HTML.gif 7.6 202 ➔175 200 135 30 Positive
13 Herbicide Prometryn graphic file with name 12896_2019_574_Figm_HTML.gif 11.6 242 ➔ 158 200 135 30 Positive
14 MCPA graphic file with name 12896_2019_574_Fign_HTML.gif 12 201 ➔ 125 200 47 13 Positive
15 Fluometuron graphic file with name 12896_2019_574_Figo_HTML.gif 11.7 233 ➔ 72 200 135 30 Positive
16 Histamine H2 receptor antagonist Cimetidine graphic file with name 12896_2019_574_Figp_HTML.gif 6.9 253 ➔ 159 200 135 10 Positive
17 Insect repellent DEET graphic file with name 12896_2019_574_Figq_HTML.gif 11.9 192 ➔ 119 200 135 30 Positive
18 Nonsteroidal anti-inflammatory drug (NSAID) Meloxicam graphic file with name 12896_2019_574_Figr_HTML.gif 12.8 352 ➔ 115 200 135 6 Positive
19 Ibuprofen graphic file with name 12896_2019_574_Figs_HTML.gif 14.4 207 ➔ 161 200 135 20 Positive
20 Stimulant Caffeine graphic file with name 12896_2019_574_Figt_HTML.gif 7.8 195 ➔ 138 200 135 30 Positive
21 Vulcanization agent (for rubber) 2-Mercapto Benzothiazole (MBT) graphic file with name 12896_2019_574_Figu_HTML.gif 10.6 168 ➔ 135 200 135 30 Positive