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Table 1 Retention time, m/z values of ions of reference standards

From: Rapid discovery of chemical constituents and absorbed components in rat serum after oral administration of Fuzi-Lizhong pill based on high-throughput HPLC-Q-TOF/MS analysis

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]+