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Table 1 The concentration range (min–max, ng/L) of identified plant metabolites in river water

From: Target screening of plant secondary metabolites in river waters by liquid chromatography coupled to high-resolution mass spectrometry (LC–HRMS)

Plant secondary metabolite

Chemical formula

CAS no.

m/z (M + H+)

Retention time (min)

MDL (ng/L)

Concentration range (min–max, ng/L)

Frequency of detection

Leipzig

Bode

Leipzig

Bode

Coumarin

C9H6O2

91-64-5

147.0441

7.3

11

12

43

1

1

Esculetin

C9H6O4

305-01-1

179.0336

4.2

50

116–1658

104–157

2

3

Fraxidin

C11H10O5

525-21-3

223.0600

7.8

4

56–1145

19–155

9

8

Scopoletin

C10H8O4

92-61-5

193.0496

7.1

2

9–47

7–49

9

9

Bergapten

C12H8O4

484-20-8

217.0495

10.1

4

510

541

1

1

Psoralen

C11H6O3

66-97-7

187.0388

9.1

3

ND

141–224

0

2

Lycorine

C16H17NO4

476-28-8

288.1225

1.0

3

1015–2331

11

2

1

Narciclasine

C14H13NO7

29477-83-6

308.0765

5.7

150

507–3353

ND

2

Nicotine

C10H14N2

54-11-5

163.1228

0.9

1.6

2–6

4–35

2

2

Piperine

C17H19NO3

94-62-2

286.1434

11.9

0.9

1–338

4–294

4

2

Formononetin

C16H12O4

485-72-3

269.0804

10.8

3

8–35

123

5

1

Coniferyl aldehyde

C10H10O3

458-36-6

179.0701

7.6

8

13–46

ND

2

  1. ND not detected