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 | – |