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. 2015 Jul 31;20(8):13958–13981. doi: 10.3390/molecules200813958

Table 2.

Characterization of chemical constituents in AMR by HPLC-DAD-Q-TOF MS.

Peak Number tR (min) MS1 Error (ppm) Fragment Ions Collected in Positive Mode Molecular Formula λmax (nm) Identity
1 11.81 505.3534 [M + H]+ 1.0 487.3421 [M + H − H2O]+, 469.3317 [M + H − 2H2O]+, 451.3416 [M + H − 3H2O]+, 415.2845 [M + H − C4H10O2]+, 397.2745 [M + H − C4H10O2 − H2O]+ C 30H48O6 245 16-oxo-Alisol A a
2 13.19 547.3638 [M + H]+ 0.5 529.3528 [M + H − H2O]+, 511.3421 [M + H − 2H2O]+, 487.3422 [M + H − HAc]+, 469.3316 [M + H − Hac − H2O]+, 415.2848 [M + H − C6H12O3]+, 397.2745 [M + H − C6H12O3 − H2O]+ C 32H50O7 245 16-oxo-Alisol A 23-actetate a
3 15.63 547.3624 [M + H]+ −2.0 529.3529 [M + H − H2O]+, 511.3429 [M + H − 2H2O]+, 487.3423 [M + H − HAc]+, 469.3318 [M + H – Hac − H2O]+, 415.2847 [M + H − C6H12O3]+, 397.2744 [M + H − C6H12O3 − H2O]+ C 32H50O7 245 16-oxo-Alisol A 24-actetate a
4 16.70 507.3687 [M + H]+ 0.2 489.3577 [M + H − H2O]+, 471.3471 [M + H − 2H2O]+, 453.3365 [M + H − 3H2O]+, 417.3007 [M + H − C4H10O2]+, 399.2896 [M + H − C4H10O2 − H2O]+ C 30H50O6 - 13,17-epoxy-Alisol A a
5 17.31 487.3423 [M + H]+ −0.2 469.3314 [M + H − H2O]+, 451.3213 [M + H − 2H2O]+, 415.2650 [M + H − C4H8O]+, 397.2741 [M + H − H2O − C4H8O]+, 379.3427 [M + H − 2H2O − C4H8O]+ C 30H46O5 245 Alisol C a
6 19.36 487.3429 [M + H]+ 1.0 469.3319 [M + H − H2O]+, 451.3215 [M + H − 2H2O]+, 397.2742 [M+H-C4H10O2]+ C 30H46O5 287 16-oxo-11-anhydro-Alisol A a
7 19.72 489.3562 [M + H]+ −2.7 471.3471 [M + H − H2O]+, 453.3367 [M + H − 2H2O]+, 399.2896 [M+H-C4H10O2]+ C 30H48O5 245 16-oxo-11-deoxy-Alisol A
8 21.46 549.3798 [M + H]+ 1.3 531.3685 [M + H − H2O]+, 513.3579 [M + H − 2H2O]+, 489.3585 [M + H − HAc]+, 471.3470 [M + H − Hac − H2O]+, 417.3005 [M + H − C6H12O3]+, 399.2896 [M + H − C6H12O3 − H2O]+ C 32H52O7 - 13,17-epoxy-Alisol A 24-acetate a
9 23.30 471.3464 [M + H]+ −2.1 453.3367 [M + H − H2O]+, 381.2791 [M + H − C4H8O − H2O]+, 339.2684 [M + H − C4H8O − H2O − C2H2O]+ C 30H46O4 - 16,23-oxido-Alisol B
10 23.37 489.3583 [M + H]+ 0.6 471.3472 [M + H − H2O]+, 453.3366 [M + H − 2H2O]+, 381.2798 [M + H − H2O − C4H10O2]+, 339.2687 [M + H − H2O − C4H10O2 − C2H2O]+ C 30H48O5 - Alisol F a
11 24.33 529.3522 [M + H]+ −1.3 511.3424 [M + H − H2O]+, 469.3313 [M + H − HAc]+, 451.3212 [M + H − HAc − H2O]+, 415.2652 [M + H − C6H10O2]+,397.2741 [M + H − C6H10O2 − H2O]+ C 32H48O6 245 Alisol C 23-acetate a
12 24.75 489.3586 [M + H]+ 1.2 471.3477 [M + H − H2O]+, 453.3363 [M + H − 2H2O]+, 417.3006 [M + H − C4H8O]+, 399.2895 [M + H − C4H8O − H2O]+ C 30H48O5 - 13,17-epoxy-Alisol B a
13 25.46 471.3482 [M + H]+ 1.7 453.3368 [M + H − H2O]+, 399.2894 [M + H − C4H8O]+ C 30H46O4 245 11-deoxy-Alisol C
14 25.91 469.3315 [M + H]+ −0.6 451.3216 [M + H − H2O]+, 397.2745 [M + H − C4H8O]+ C 30H44O4 287 Alisol L a
15 27.00 531.3694 [M + H]+ 1.5 513.3585 [M + H − H2O]+, 495.3598 [M + H − 2H2O]+, 453.3367 [M + H − H2O − HAc]+, 435.3592 [M + H − 2H2O − HAc]+, 381.2791 [M + H − H2O − C6H12O3]+, 339.2684 [M + H − H2O − C6H12O3 − C2H2O]+ C 32H50O6 - Alisol F 24-actetate a
16 27.75 491.3731 [M + H]+ 0.0 473.3630 [M + H − H2O]+, 455.3524 [M + H − 2H2O]+, 437.3418 [M + H − 3H2O]+, 383.2984 [M + H − H2O − C4H10O2]+ C 30H50O5 - Alisol A a
17 29.07 533.3773 [M + H]+ 0.4 515.3735 [M + H − H2O]+, 497.3633 [M + H − 2H2O]+, 455.3526 [M + H − HAc − H2O] +, 437.3422 [M + H − HAc − 2H2O]+, 383.2983 [M + H − C6H12O3 − H2O]+ C 32H52O6 - Alisol A 23-acetate a
18 33.90 533.3848 [M + H]+ 1.1 515.3736 [M + H − H2O]+, 497.3634 [M + H − 2H2O]+, 455.3528 [M + H − HAc − H2O] +, 437.3420 [M + H − HAc − 2H2O]+, 383.2981 [M + H − C6H12O3 − H2O]+ C 32H52O6 - Alisol A 24-acetate a
19 34.95 531.3685 [M + H]+ −0.2 513.3581 [M + H − H2O]+, 495.3476 [M + H − 2H2O]+, 471.3478 [M + H − HAc]+, 453.3367 [M + H − HAc − H2O]+, 417.3008 [M + H − C6H10O2]+, 399.2895 [M + H − C6H10O2 − H2O]+ C 32H50O6 - 13,17-epoxy-Alisol B 23-acetate a
20 35.87 511.3418 [M + H]+ −1.2 451.3321 [M + H − HAc]+, 397.2743 [M + H − C6H10O2]+ C 32H46O5 287 Alisol L 23-acetate a
21 38.87 473.3638 [M + H]+ 1.5 455.3527 [M + H − H2O]+, 437.3425 [M + H − 2H2O]+, 383.2981 [M + H − H2O − C4H8O]+ C 30H48O4 - Alisol G a
22 40.71 473.3639 [M + H]+ 1.7 455.3523 [M + H − H2O]+, 437.2426 [M + H − 2H2O]+, 383.2982 [M + H − H2O − C4H8O]+ C 30H48O4 - Alisol B a
23 49.06 515.3739 [M + H]+ 0.4 497.3631 [M + H − H2O]+, 479.3519 [M + H − 2H2O]+, 437.3431 [M + H − H2O − HAc]+, 383.2983 [M + H − H2O − C6H10O2]+ C 32H50O5 - Alisol B 23-acetate a
24 54.55 457.3675 [M + H]+ −1.5 439.3574 [M + H − H2O]+, 385.3102 [M + H − C4H8O]+ C 30H48O3 - 11-deoxy-Alisol B a
25 61.12 499.3794 [M + H]+ 1.4 439.3578 [M + H − HAc]+, 385.3105 [M + H − C6H10O2]+ C 32H50O4 - 11-deoxy-Alisol B 23-acetate

tR: retention time; MS1: qusai-molecular ion; -: maximum UV absorption is below 200 nm; a Compared with reference compounds.