Methane chemical ionization mass spectral data3-a of BDP and its degradation products
| Compound | BDP | 17-BMP | 21-BMP | BOH | D-3 | D-2 |
|---|---|---|---|---|---|---|
| Molecular formula3-b | C28H37ClO7 | C25H33ClO6 | C25H33ClO6 | C22H29ClO5 | C25H32O6 | C22H28O5 |
| [MH]+ | 521 (100) | 465 (100) | 465 (100) | 409 (100) | 429 (100) | 373 (100) |
| [MH]+(37Cl isotope) | 523 (35) | 467 (35) | 467 (35) | 411 (35) | — | — |
| [M+C2H5]+ | 549 (10)3-c | 493 (10)3-c | 493 (15)3-c | 437 (10)3-c | 457 (10) | 401 (10) |
| [M+C3H5]+ | 561 (5)3-c | 505 (10)3-c | 505 (10)3-c | 449 (5)3-c | 469 (5) | 413 (5) |
| [MH—H2O]+ | 503 (10)3-c | 447 (10)3-c | 447 (35)3-c | 391 (70)3-c | 411 (35) | 355 (70) |
| [MH—HCl]+ | 485 (15) | 429 (20) | 429 (20) | 373 (75) | — | — |
| [MH—H2O—HCl]+ | 467 (5) | 411 (10) | 411 (20) | 355 (90)3-d | — | — |
| [MH—HCOCH2OCOC2H5]+ | — | 349 (10)3-c | — | 313 (30)3-d | — | |
| [MH—HCOCH2OCOC2H5—HCl]+ | 369 (10) | — | 313 (10) | — | — | — |
| [MH—HCOCH2OH]+ | — | — | 349 (50)3-c | — | 313 (75)3-d | |
| [MH—HCOCH2OH—HCl]+ | — | 369 (20) | — | 313 (15)3-d | — | — |
| [MH—C2H5COOH]+ | 447 (20)3-c | 391 (50)c–f | 391 (55)3-e | — | 355 (60)3-d | — |
| [MH—CH3OH]+ | — | — | — | — | 341 (50) | |
| [MH—CH3OH—HCl]+ | — | — | — | 341 (50) | — | — |
| Others | 411 (25)3-g | 327 (50)3-c | 435 (60) | |||
| 397 (50) | 371 (35) |
↵3-a Listed are m/z and, in brackets, % relative abundance to nearest 5%.
↵3-b Based on the methane adduct ions.
↵3-c The corresponding 37Cl isotope ion was also observed.
↵3-d Accompanied by the loss of H2O.
↵3-e Accompanied by the loss of HCl.
3-f Accompanied by losses of H2O and HCl.
↵3-g Possibly formed by the loss of elements of C2H4 and CO from the [MH—H2O—HCl]+ion.