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Table 3 Characterization of chemical constituents in vivo and metabolites of FZLZP by HPLC-ESI/QTOF/MS

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 Molecular weight (Da) [M + H]+ [M + Na]+ Fragmentations (m/z) Source/prototype
Measured value (Da) Error (ppm) Measured value (Da) Error (ppm)
1 4.841 l-Pyroglutamic acid C5H7NO3 129.0426 130.0498 − 0.7689    130.0498[M + H]+, 112.9741[M + H–H2O]+ Dangshen
2 16.615 Fuziline C24H39NO7 453.2727 454.2808 1.981    454.2808[M + H]+, 436.0243[M + H–H2O]+ Fuzi
3 17.021 Talatisamine C24H39NO5 421.2828 422.2905 0.9472    422.2905[M + H]+, 390.2651[M + H–CH3OH]+, 359.3263[M + H–CH2OH–CH3OH]+ Fuzi
4* 24.357 Glucuronide conjugation metabolite C21H20O10 432.1056 433.1132 0.6927    433.1132[M + H]+, 257.0843[M + H–(GluA–H2O)]+ Liquiritigenin
5 25.811 Liquiritigenin C15H12O4 256.0736 257.0819 4.2788    257.0819 [M + H]+, 239.0713[M + H–H2O]+, 137.0237[C7H4O3 + H]+ Gancao
6 27.236 Benzoylmesaconine C31H43NO10 589.2887 590.2948 − 2.033    590.2948[M + H]+, 558.2657[M + H–CH3OH]+ 540.2537[M + H–CH3OH–H2O]+, 508.2218[M + H-2CH3OH–H2O]+ Fuzi
7 27.520 Benzoylaconine C32H45NO10 603.3043 604.3134 2.97    604.3134[M + H]+, 540.6158[M + H-2CH3OH]+, 508.8095[M + H-3CH3OH]+ Fuzi
8 28.379 Liquiritin or Isoliquiritin C21H22O9 418.1264    441.1144 − 2.72 441.1144 [M + Na]+, 424.0979 [M + Na–OH]+, 350.8191[M + Na–C6H3O]+ Gancao
9 28.595 Benzoylhypaconine C31H43NO9 573.2938 574.3025 0 574.3025[M + H]+, 443.8613[M + H-3CH3OH–H2O–HO]+ Fuzi
10 31.405 Mesaconitine C33H45NO11 631.2993 632.3079 2.2141    632.3079[M + H]+, 599.9372[M + H–CH3OH]+, 540.2653[M + H–AcOH–CH3OH]+ Fuzi
11 32.453 Hypaconitine C33H45NO10 615.3043 616.3089 − 4.381    616.3089[M + H]+, 597.8211 [M + H–H2O]+, 556.2792[M + H–C2H4O2]+ Fuzi
12* 33.299 Glucuronide conjugation metabolite C30H47NO13 629.3047 630.3295 27.7640    630.3295 [M + H]+, 454.8397[M + H–(GluA–H2O)]+ Fuziline
13* 33.165 Glucuronide conjugation metabolite C21H20O10 432.1056 433.1145 3.6942    433.1145[M + H]+, 257.0829[M + H–(GluA–H2O)]+ Isoliquiritigenin
14 40.710 Isoliquiritigenin C15H12O4 256.0736 257.0807 − 0.3889    257.0807[M + H]+, 239.1624[M + H–H2O]+ Gancao
15 42.275 6-gingerdione C17H24O4 292.1675 293.1734 − 4.4342    293.1734[M + H]+, 275.1586[M + H–H2O]+ Ganjiang
16 42.514 Formononetin C16H12O4 268.0736 269.0799 − 3.3447    269.0799[M + H]+, 181.0511[M + H–C2O2–CH3OH]+ Gancao
17 44.584 14-Acetyltalatizamine C26H41NO6 463.2934 464.3015 1.7230    464.3015[M + H]+, 446.2652[M + H– H2O]+, 432.6414[M + H–CH3OH]+ Fuzi
18 46.555 6-gingerol C17H26O4 294.1831 295.1905 0.3388    295.1905[M + H]+, 263.1618[M + H–CH3OH]+, 179.1028[M + H–C7H15O]+ Ganjiang
19 46.980 6-shogaol C17H24O3 276.1725 277.1781 − 6.1332    277.1794[M + H]+, 260.1816[M + Na–OH]+, 245.1533[M + H–CH3OH]+ Ganjiang
20 47.690 Atractylenolide II C15H20O2 232.1463 233.1533 − 1.2867    233.1533[M + Na]+, 187.1487[M + Na–CH2O2]+,
159.1179[M + Na–CH2O2–C2H4]+, 145.1005[M + Na–CH2O2–C3H6]+
Baizhu
21 48.102 Chasmanine C25H41NO6 451.2934    474.2841 3.1627 474.2841[M + H]+, 442.0836[M + H–CH3OH]+ Fuzi
22 49.895 Glycyrrhizic acid C42H62O16 822.4038 823.4094 − 2.0646    823.4094[M + H]+, 647.3792[M + H–(GluA–H2O)]+ Gancao
23 50.826 Atractylenolide I C15H18O2 230.1307 231.1382 0.8653    231.1382[M + H]+, 105.9823[M + H–HCOOH–2C2H4–2C]+ Baizhu
24 51.095 Neoline C24H39NO6 437.2777    460.2669 − 0.2173 460.2669 [M + Na]+, 442.2666[M + Na–H2O]+ Fuzi
25 54.144 7-hydroxycoumarin C9H6O3 162.0317 163.0396 3.6801    163.0396[M + H]+, 145.5012[M + H–H2O]+ Baizhu
26 56.004 Glycyrrhetinic acid C30H46O4 470.3396 471.3479 − 2.122    471.3479[M + H]+, 453.4285[M + H–H2O]+ Gancao
  1. * Indicates metabolites