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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]+