Table 1.
NO. | Component Name | Pathway | Formula | M + H (m/z) | Retention Time (RT, min) | Fragments |
---|---|---|---|---|---|---|
1 | 3-epi-bufalin | Isomerization | C24H34O4 | 387.2527 | 15.56 | 369.24; 351.23; 333.22; 255.21 |
2 | Unknown | Bufalin-O(cleavage) + H2 | C24H36O3 | 373.2735 | 18.63 | 355.26; 337.25; 255.21 |
3 | Unknown | Bufalin-O(cleavage) + H2 | C24H36O3 | 373.2737 | 14.6 | 355.26; 337.25; 255.21 |
4 | Unknown | Bufalin-O(cleavage) + H2 | C24H36O3 | 373.2739 | 13.95 | 355.26; 337.25; 255.21 |
5 | Unknown | Bufalin + 2 × H2 | C24H38O4 | 391.2830 | 15.24 | 373.27; 355.26; 337.25 |
6 | Unknown | Bufalin + 2 × H2 | C24H38O4 | 391.2833 | 20.84 | 373.27; 355.26; 337.25 |
7 | Hydroxylation-bufalin | Bufalin + O | C24H34O5 | 403.2473 | 9.65 | 385.24; 367.23; 349.22; 331.21; 253.19 |
8 | Hydroxylation-bufalin | Bufalin + O | C24H34O5 | 403.2470 | 7.58 | 385.24; 367.23; 349.22; 331.21; 253.19 |
9 | Hydroxylation-bufalin | Bufalin + O | C24H34O5 | 403.2471 | 6.75 | 385.24; 367.23; 349.22; 331.21; 253.19 |
10 | Hydroxylation-bufalin | Bufalin + O | C24H34O5 | 403.2451 | 10.57 | 385.24; 367.23; 349.22; 331.21; 253.19 |
11 | Unknown | Unknown | C24H34O5 | 403.2451 | 7.05 | No found |
12 | Unknown | Unknown | C24H34O5 | 403.2492 | 9.87 | No found |
13 | Dihydroxy-bufalin | Bufalin + 2 × O | C24H34O6 | 419.2424 | 7.01 | 401.24; 383.22; 365.21; 347.20 |
14 | Unknown | bufalin-O + 2 × (-H2) + C2H2O | C26H32O4 | 409.2345 | 15.55 | 369.24; 351.23 |