Table 2.
Identification of the common peaks.
| Peak | tR(min) | MS1 [M+H]+ | Error (ppm) | Fragment ions collected in positive mode | Molecular formula | Identification |
|---|---|---|---|---|---|---|
| 1 | 34.88 | 471.2136 | 1.1 | 453.2013, 295.1641, 277.1545, 248.1306, 177.0552, 145.0550 | C25H31N2O7 | Unknown |
| 2 | 35.55 | 469.1962 | −2.8 | 293.1486, 276.1258, 219.1372, 177.0576, 145.0312 | C25H29N2O7 | Unknown |
| 3 | 37.76 | 389.2546 | 1.8 | 371.2191, 330.2155, 284.1887, 244.1507 | C20H36O7 | Tetradecylcitric acid |
| 4 | 39.72 | 203.1785 | −4.6 | 161.1245, 147.1129, 133.0995, 119.0852 | C15H22 | Atractylenolide VI |
| 5 | 40.73 | 487.3411 | −2.5 | 469.3322, 451.3216, 415.2839, 397.2657 | C30H46O5 | Alisol Ca |
| 6 | 41.24 | 487.3425 | 0.4 | 469.3325, 451.3220, 397.2732 | C30H46O5 | 16-oxo-11-anhydro-alisol A |
| 7 | 41.65 | 274.1809 | 0.7 | 177.0571, 145.0363 | C17H24NO2 | Unknown |
| 8 | 42.26 | 230.1539 | −2.6 | 159.1148 | C15H19NO | Atractylenolactam |
| 9 | 43.25 | 529.3553 | 4.5 | 511.3440, 469.3327, 451.3228, 415.2849, 397.2732 | C32H48O6 | Alisol C 23-acetatea |
| 10 | 43.69 | 469.3319 | 0.2 | 451.3215, 397.2744 | C30H44O4 | Alisol L |
| 11 | 44.06 | 233.1543 | 0.4 | 215.1426, 187.1472, 177.1213, 159.1075, 145.0978 | C15H20O2 | Atractylenolide Ia |
| 12 | 44.28 | 473.3618 | −3.8 | 455.3517, 437.3402, 383,2941, 365.2842, 339.2682 | C30H48O4 | Alisol G |
| 13 | 44.88 | 494.3636 | 0.4 | 453.3376, 381.2792, 339.2673 | C32H48NO3 | Unknown |
| 14 | 46.24 | 545.3496 | 3.3 | 527.3380, 485.3280, 467.3181 | C32H48O7 | Alisol M 23-acetate |
| 15 | 46.56 | 513.3589 | 1.8 | 495.3184, 453.3332, 435.3245, 381.2845 | C32H48O5 | Alisol O |
| 16 | 46.92 | 455.351 | −3.3 | 437.3420, 419.3304, 383.2925, 365.2813, 339.2660 | C30H46O3 | Alisol I |
| 17 | 47.15 | 511.3437 | 2.7 | 493.3347, 451.3136, 433.2851 | C32H46O5 | Alisol L 23-acetate |
| 18 | 47.44 | 473.3639 | 1.7 | 455.3535, 437.3431, 383.2944, 365.2848, 339.2687 | C30H48O4 | Alisol Ba |
| 19 | 48.68 | 499.2791 | 2.0 | 455.3461, 423.3522, 365.2821, 295.1573, 2111.0988 | C32H39N2O3 | Unknown |
| 20 | 49.49 | 515.376 | 4.7 | 497.3654,4 79.3536, 437.3434, 419.3329, 383.2957, 365.2858, 339.2960 | C32H50O5 | Alisol B 23-acetatea |
aCompared with the reference standards.