Skip to main content

Table 1 Names and chemical structures of the 21 emerging pollutants used in this study and their LC-MSMS parameters

From: LC-MSMS based screening of emerging pollutant degradation by different peroxidases

 

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

11.6

837 âž” 680

200

135

20

Positive

2

Lincomycin-HCl

7.6

407 âž” 359

200

135

20

Positive

3

Norfloxacin

8.2

320 âž” 302

200

135

20

Positive

4

Trimethoprim

7.9

291 âž” 230

200

135

20

Positive

5

Sulfamethoxazole

9.3

254 âž” 156

200

135

20

Positive

6

Antidepressant

Venlafaxine-HCl

9.4

278 âž” 260

200

135

10

Positive

7

Antioxidant

Caffeic acid

7.8

181 âž” 163

200

135

20

Positive

8

Anti-seizure drug

Phenytoin

11.1

253 âž” 182

200

135

10

Positive

9

Diuretic drug

Hydrochloro-thiazide

6.4

296 âž” 269

70

140

20

Negative

10

Furosemide

11

329 âž” 285

70

140

15

Negative

11

Beta-blocker (high blood pressure drug)

Atenolol

7.1

267 âž” 190

200

135

20

Positive

12

Fungicide

Thiabendazole

7.6

202 ➔175

200

135

30

Positive

13

Herbicide

Prometryn

11.6

242 âž” 158

200

135

30

Positive

14

MCPA

12

201 âž” 125

200

47

13

Positive

15

Fluometuron

11.7

233 âž” 72

200

135

30

Positive

16

Histamine H2 receptor antagonist

Cimetidine

6.9

253 âž” 159

200

135

10

Positive

17

Insect repellent

DEET

11.9

192 âž” 119

200

135

30

Positive

18

Nonsteroidal anti-inflammatory drug (NSAID)

Meloxicam

12.8

352 âž” 115

200

135

6

Positive

19

Ibuprofen

14.4

207 âž” 161

200

135

20

Positive

20

Stimulant

Caffeine

7.8

195 âž” 138

200

135

30

Positive

21

Vulcanization agent (for rubber)

2-Mercapto Benzothiazole (MBT)

10.6

168 âž” 135

200

135

30

Positive