Peak no. | Rt (min) | Systematic name | Molecular formula | [M + H]+ | [M + Na]+ | Fragmentations (m/z) | ||
---|---|---|---|---|---|---|---|---|
Measured mass (m/z) | Error (ppm) | Measured mass (m/z) | Error (ppm) | |||||
1 | 24.843 | Liquiritigenin | C15H12O4 | 257.0809 | 0.3890 | 257.0809[M + H]+, 239.0698[M + H–H2O]+, 137.0234 [C7H4O3 + H]+, 121.0293 [C8H8O + H]+, 120.0721 [C7H4O3 + H–OH]+ | ||
2 | 27.507 | Benzoylmesaconine | C31H43NO10 | 590.2952 | − 1.3553 | – | – | 590.2952[M + H]+, 572.2832[M + H–H2O]+, 558.2683[M + H-CH3OH]+, 540.2580[M + H–CH3OH–H2O]+ |
3 | 28.228 | Benzoylaconine | C32H45NO10 | 604.3130 | 2.3167 | – | – | 604.3130[M + H]+, 586.2995[M + H–H2O]+, 572.2852[M + H–CH3OH]+ 554.2735[M + H–2H2O]+, 540.2577[M + H–CH3OH]+, 522.2475[M + H–2CH3OH–H2O]+ |
4 | 29.152 | Benzoylhypaconine | C31H43NO9 | 574.3003 | − 1.3930 | – | – | 574.3003[M + H] + , 542.2741[M + H–CH3OH]+, 524.2615[M + H–CH3OH–H2O]+, 510.2477[M + H–2CH3OH]+ |
5 | 31.663 | Mesaconitine | C33H45NO11 | 632.3064 | − 0.1582 | – | – | 632.3064[M + H]+, 600.2787[M + H–CH3OH]+, 572.2853[M + H–AcOH]+, 540.2594[M + H–AcOH–CH3OH]+, 512.2637[M + H–AcOH–CH3OH–CO]+, |
6 | 39.648 | Isoliquiritigenin | C15H12O4 | 257.0809 | 0.3890 | 257.0809[M + H]+, 239.0692[M + H–H2O]+, 137.0235[C7H4O3 + H]+, 121.0287 [C8H8O + H]+, 120.0514 [C7H4O3 + H–OH]+ | ||
7 | 48.854 | Atractylenolide II | C15H20O2 | 233.1538 | 0.8578 | 233.1538[M + Na]+, 215.1440[M + Na–H2O]+, 187.1484[M + Na–CH2O2]+, 159.1165[M + Na–CH2O2–C2H4]+, 145.101 [M + Na–CH2O2–C3H6]+ 131.0856[M + Na–CH2O2–C4H8]+, 105.0702[M + Na–CH2O2–C4H8–C2H2]+, | ||
8 | 49.134 | Glycyrrhizic acid | C42H62O16 | 845.3947 | 2.0109 | 845.3947[M + Na]+, 669.3614[M + Na–(GluA–H2O)]+ | ||
9 | 55.125 | Glycyrrhetinic acid | C30H46O4 | 471.3458 | − 2.3337 | 471.3458[M + H]+, 453.3349[M + H–H2O]+, 435.3244[M + H-2H2O]+ |