|
No. | | Molecular ion | Error | Fragment ions in positive mode | Molecular | Identity | Contents |
(min) | MS1 | (ppm) | MS2 | formula | (mg/g) |
|
1 | 2.29 | 505.3536 [M + H]+ | 1.38 | 487 [M + H − H2O]+, 469 [M + H − 2H2O]+, 415 [M + H − C4H10O2]+, 397 [M + H − C4H10O2 − H2O]+ | C30H48O6 | 16-oxo-alisol A | 14.2 |
2 | 2.41 | 547.3640 [M + H]+ | 0.91 | 529 [M + H − H2O]+, 511 [M + H − 2H2O]+, 487 [M + H − HAc]+, 451 [M + H − HAc − 2H2O]+, 415 [M + H − C6H12O3]+ | C32H50O7 | 16-oxo-alisol A 23-acetate | 7.3 |
3 | 2.59 | 547.3642 [M + H]+ | 1.27 | 529 [M + H − H2O]+, 511 [M + H − 2H2O]+, 415 [M + H − C4H8O]+, 397 [M + H − H2O − C4H8O]+ | C32H50O7 | 16-oxo-alisol A 24-acetate | 7.5 |
4 | 2.78 | 487.3426 [M + H]+ | 0.41 | 469 [M + H − H2O]+, 451 [M + H − 2H2O]+, 415 [M + H − C4H10O2]+, 397 [M + H − C4H10O2 − H2O]+ | C30H46O5 | Alisol C | 35.2 |
5 | 3.65 | 529.3534 [M + H]+ | 0.94 | 511 [M + H–H2O]+, 469 [M + H − HAc]+, 451 [M + H − HAc − H2O]+, 415 [M + H − C6H10O2]+, 397 [M + H − C6H10O2 − H2O]+ | C32H48O6 | Alisol C 23-acetate | 188.4 |
6 | 3.96 | 469.3324 [M + H]+ | 1.27 | 451 [M + H − H2O]+, 397 [M + H − C4H8O]+ | C30H44O4 | Alisol L | 32.6 |
7 | 4.24 | 491.3745 [M + H]+ | 1.62 | 473 [M + H − H2O]+, 455 [M + H − 2H2O]+, 437 [M + H − 3H2O]+, 383 [M + H − H2O − C4H10O2]+ | C30H50O5 | Alisol A | 28.6 |
8 | 4.41 | 533.3849 [M + H]+ | 1.31 | 515 [M + H − H2O]+, 497 [M + H − 2H2O]+, 455 [M + H − HAc − H2O] +, 383 [M + H − C6H12O3 − H2O]+ | C32H52O6 | Alisol A 23-acetate | 9.4 |
9 | 5.01 | 533.3850 [M + H]+ | 1.49 | 515 [M + H − H2O]+, 497 [M + H − 2H2O]+, 455 [M + H − HAc − H2O] +, 383 [M + H − C6H12O3 − H2O]+ | C32H52O6 | Alisol A 24-acetate | 11.2 |
10 | 5.23 | 511.3428 [M + H]+ | 0.78 | 451 [M + H − HAc]+, 397 [M + H − C6H10O2]+ | C32H46O5 | Alisol L 23-acetate | 10.1 |
11 | 5.99 | 473.3638 [M + H]+ | 1.47 | 455 [M + H − H2O]+, 437 [M + H − 2H2O]+, 383 [M + H–H2O − C4H8O]+ | C30H48O4 | Alisol B | 132.7 |
12 | 7.08 | 515.3745 [M + H]+ | 1.55 | 497 [M + H − H2O]+, 479 [M + H − 2H2O]+, 437 [M + H − H2O − HAc]+, 383 [M + H − H2O − C6H10O2]+ | C32H50O5 | Alisol B 23-acetate | 322.6 |
13 | 7.94 | 457.3684 [M + H]+ | 0.44 | 439 [M + H − H2O]+, 385 [M + H − C4H8O]+, 367 [M + H − C4H8O − H2O]+ | C30H48O3 | 11-deoxy alisol B | 65.7 |
14 | 8.97 | 499.3795 [M + H]+ | 1.60 | 439 [M + H − HAc]+, 385 [M + H − C6H10O2]+ | C32H50O4 | 11-deoxy alisol B 23-acetate | 20.4 |
|