Table 1.
Retention times, UV λmax values and mass spectral characteristics of AA-I and its metabolites.
| MW | Rt (min) |
UV ( λmax.) | m/z ESI(+) | m/z ESI(−) | |
|---|---|---|---|---|---|
| Aristolochic acid Ia O-sulfate (5) | 407 | 6.6 | 253, 308, 399 | 425 [M+NH4]+ MS2 [425]: 407, 390, 364, 318, 310, 284, 237 (see Scheme 2) |
406 [M-H]−, 361, 359 MS2 [406]: 326 [M-H-SO3]−; 280 [M-H-SO3-NO2]−; 235 [M-H-SO3-NO2-CO2H]− MS2 [361]: 281[361-SO3]−; 237 [281-SO3-CO2]− MS2 [359]: 279 [359-SO3]− |
| Aristolactam Ia O-glucuronide (6) | 455 | 7.7 | 237, 262, 294, 332, 398 |
456 [M+H]+ | 454 [M-H]− MS2 [454]: 278 [M-H-176]−; 175 [G]−; 174 [G]− |
| Aristolochic acid Ia (2) | 327 | 9.2 | 252, 317, 369 | 345 [M+NH4]+; 655 [2M+H]+ MS2 [345]: 328 [M+H]+; 310 [M+H-H2O]+; 284 [M+H-CO2]+; 282 [M+H-NO2]+ |
|
| Aristolactam Ia O-sulfate (7) | 359 | 20.9 | 264, 277, 292, 328, 344, 379, 396 |
358 [M-H]− MS2 [358]: 278 [M-H-SO3]− |
|
| Aristolochic acid I (1) | 341 | 24.9 | 250, 320, 393 | 359 [M+NH4]+;364 [M+Na]+; 700 [2M+NH4]+; 705 [2M+Na]+ MS2 [359]: 342 [M+H]−; 298 [M+H-CO2]+; 296 [M+H-NO2]+ |
|
| Aristolactam Ia (4) | 279 | 30.1 | 243, 259, 294, 332, 399 |
280 [M+H]+ MS2 [280]: 250 [M+H-H2CO]+; 225 [M+H-CO-HCN]+ |
|
| Aristolactam I (3) | 293 | 42.3 | 239, 259, 298, 329 395 |
294 [M+H]+ MS2 [294]: 279 [M+H-CH3.]+; 251 [M+H-CH3.-CO]+ |