Table 2.
Accurate Masses of Potential 5-MC Metabolites in HepG2 Cells That Result from the Formation of Bis-Diol-Epoxides
| 5-MC metabolites | molecular formula | positive mode | negative mode |
|---|---|---|---|
| Tetraol + Tetraol | C19H22O8 | 379.1393 | 377.1236 |
| Monodehydrated tetraol + Tetraol | C19H20O7 | 361.1287 | 359.1131 |
| Monodehydrated tetraol + Monodehydrated tetraol | C19H18O6 | 343.1182 | 341.1025 |
| (or Bis-dehydrated tetraol + Tetraol) | |||
| Monodehydrated tetraol + Bis-dehydrated tetraol | C19H16O5 | 325.1076 | 323.0919 |
| Bis-dehydrated tetraol + Bis-dehydrated tetraol | C19H14O4 | 307.0970 | 305.0814 |
| Tetraol + O-sulfonated tetraol | C19H22O11S | 459.0961 | 457.0805 |
| Monodehydrated tetraol + O-sulfonated tetraol | C19H20O10S | 441.0855 | 439.0699 |
| Monodehydrated tetraol + Monodehydrated O-sulfonated tetraol | C19H18O9S | 423.0750 | 421.0593 |
| (or Bis-dehydrated tetraol + O-sulfonated tetraol) | |||
| Monodehydrated tetraol + Bis-dehydrated O-sulfonated tetraol | C19H16O8S | 405.0644 | 403.0488 |
| Bis-dehydrated tetraol + Bis-dehydrated O-sulfonated tetraol | C19H14O7S | 387.0538 | 385.0382 |
| Tetraol + O-glucuronosyl tetraol | C25H30O14 | 555.1714 | 553.1557 |
| Monodehydrated tetraol + O-glucuronosyl tetraol | C25H28O13 | 537.1608 | 535.1452 |
| Monodehydrated tetraol + Monodehydrated O-glucuronosyl tetraol | C25H26O12 | 519.1503 | 517.1346 |
| (or Bis-dehydrated tetraol + O-glucuronosyl tetraol) | |||
| Monodehydrated tetraol + Bis-dehydrated O-glucuronosyl tetraol | C25H24O11 | 501.1397 | 499.1240 |
| Bis-dehydrated tetraol + Bis-dehydrated O-glucuronosyl tetraol | C25H22O10 | 483.1291 | 481.1135 |