Table 1.
Mass spectrometric data of crytotanshinone and its main metabolites.
| ID | Rt | Biotransformation | Observed mass | MS2 | Q1/Q3 | Peak Area |
|---|---|---|---|---|---|---|
| Parent | 11.50 | 297.1487 | 297,282,279,268,254,251,249,221,209,193 | 297.3/251.0 | 9.12×106 | |
| M1-1 | 10.47 | Dehydrogenation | 295.1326 | 295,280,277,265,262,251,249,247,234,226,220,216,212 | 295.3/251.0 | 2.44×104 |
| M1-2 | 11.20 | Dehydrogenation | 295.1333 | 295,280,277,262,251,249,247,234,220,206,195 | 295.3/251.0 | 7.77×105 |
| M1-3 | 12.61 | Dehydrogenation | 295.1306 | 295,280,277,265,251,249,234,221,206,191,179 | 295.3/251.0 | 8.17×104 |
| M2-1 | 9.12 | Hydroxylation | 313.1437 | 313,295,282,270,267,262,249,234,229,224,221,209,206 | 313.3/251.0 | 1.44×105 |
| M2-2 | 9.31 | Hydroxylation | 313.1423 | 313,295,277,267,262,249,235,225,221,206,195,185 | 313.3/251.0 | 8.47×105 |
| M2-3 | 10.47 | Hydroxylation | 313.1423 | 313,295,277,262,249,225,206,195,185,167,142 | 313.3/251.0 | 7.30×104 |
| M3-1 | 11.12 | Glucuronidation | 473.1801 | 473,297,279,251,237,223,178 | 473.3/297.3 | 4.31×104 |
| M3-2 | 11.32 | Glucuronidation | 473.1801 | 473,309,297,279,254,251,223 | 473.3/297.3 | 2.58×104 |
| M3-3 | 11.68 | Glucuronidation | 473.1801 | 473,309,297,279,251,236,223 | 473.3/297.3 | 3.03×104 |
| M4-1 | 8.21 | Hydroxylation plus glucuronidation | 489.1761 | 489,313,297,280,249,128 | 489.3/313.3 | 3.82×104 |
| M4-2 | 8.56 | Hydroxylation plus glucuronidation | 489.1754 | 489,313,295,277,267,252,249,225 | 489.3/313.3 | 3.95×104 |