Chromatographic and mass spectrometric information of CDD and respective metabolitesa.
| ID | Source | t R (min) | Predicted m/z | Measured m/z | Error (ppm) | Formula | Characteristic product ions (m/z) |
|---|---|---|---|---|---|---|---|
| CDD | Standard | 3.77 | 625.2280 | 625.2279 | 0.0 | C33H37O12 | 497.1815, 369.1324, 245.0774, 177.0531 |
| CUR | Standard | 1.76 | 369.1333 | 369.1332 | 0.1 | C21H21O6 | 285.1107, 245.0747, 177.0522 |
| MSCUR | Standard | 2.39 | 497.1806 | 497.1805 | 0.3 | C27H29O9 | 369.1333, 285.1114, 245.0799, 177.0547 |
| M1 | RP | 1.77 | 369.1333 | 369.1337 | −1.1 | C21H21O6 | 285.1116, 245.0805, 177.0544 |
| DP | 1.76 | 369.1333 | 369.1332 | 0.2 | C21H21O6 | 285.1098, 245.0818, 177.0551 | |
| HP | 1.77 | 369.1333 | 369.1330 | 0.7 | C21H21O6 | 285.1111, 245.0792, 177.0567 | |
| M2 | RP | 2.41 | 497.1806 | 497.1796 | 1.9 | C27H29O9 | 369.1318, 285.1124, 245.0805, 177.0556 |
| DP | 2.41 | 497.1806 | 497.1800 | 1.2 | C27H29O9 | 369.1323, 285.1125, 245.0807, 177.0556 | |
| HP | 2.41 | 497.1806 | 497.1801 | 1.1 | C27H29O9 | 369.1333, 285.1124, 245.0773, 177.0552 |
a
t R = retention time; RP = rat plasma; DP = dog plasma; HP = human plasma.