Table 5.
High-resolution accurate mass measurements by SORI-CID FTICR for 13,14,15-THETA.
| Measured Ions (m/z) | Calculated Ions (m/z) | Error (ppm) | Relative Abundance (%) | Elemental Composition |
|---|---|---|---|---|
| 353.23454 | 353.23335 | 3.4 | 9.16 | C20H33O5−1 |
| 335.22447 | 335.22278 | 5.0 | 29.95 | C20H31O4−1 |
| 317.21399 | 317.21222 | 5.6 | 36.52 | C20H29O3−1 |
| 299.20348 | 299.20165 | 6.1 | 21.78 | C20H27O2−1 |
| 273.22435 | 273.22239 | 7.2 | 15.69 | C19H29O −1 |
| 255.21344 | 255.21182 | 6.3 | 20.02 | C19H27−1 |
| 253.14608 | 253.14453 | 6.1 | 20.85 | C14H21O4−1 |
| 235.13524 | 235.13397 | 5.4 | 23.23 | C14H19O3−1 |
| 223.13486 | 223.13397 | 4.0 | 14.73 | C13H19O3−1 |
| 217.12449 | 217.12340 | 5.0 | 33.61 | C14H17O2−1 |
| 205.12447 | 205.12340 | 5.2 | 50.50 | C13H17O2−1 |
| 193.12430 | 193.12340 | 4.7 | 100.00 | C12H17O2−1 |
| 173.13440 | 173.13357 | 4.8 | 52.43 | C13H17−1 |
| 161.13442 | 161.13357 | 5.3 | 25.51 | C12H17−1 |
| 149.13423 | 149.13357 | 4.4 | 41.29 | C11H17−1 |
| 129.09271 | 129.09210 | 4.7 | 24.04 | C7H13O2−1 |
| 59.01395 | 59.01385 | 1.7 | 49.36 | C2H3O2−1 |