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

1

l-Pyroglutamic acid

C₅H₇NO₃

130.0498[M + H]⁺, 112.9741[M + H–H₂O]⁺

Dangshen

2

Fuziline

C₂₄H₃₉NO₇

454.2808[M + H]⁺, 436.0243[M + H–H₂O]⁺

Fuzi

3

Talatisamine

C₂₄H₃₉NO₅

422.2905[M + H]⁺, 390.2651[M + H–CH₃OH]⁺, 359.3263[M + H–CH₂OH–CH₃OH]⁺

Fuzi

4*

Glucuronide conjugation metabolite

C₂₁H₂₀O₁₀

433.1132[M + H]⁺, 257.0843[M + H–(GluA–H₂O)]⁺

Liquiritigenin

5

Liquiritigenin

C₁₅H₁₂O₄

257.0819 [M + H]⁺, 239.0713[M + H–H₂O]⁺, 137.0237[C₇H₄O₃ + H]⁺

Gancao

6

Benzoylmesaconine

C₃₁H₄₃NO₁₀

590.2948[M + H]⁺, 558.2657[M + H–CH₃OH]⁺ 540.2537[M + H–CH₃OH–H₂O]⁺, 508.2218[M + H-2CH₃OH–H₂O]⁺

Fuzi

7

Benzoylaconine

C₃₂H₄₅NO₁₀

604.3134[M + H]⁺, 540.6158[M + H-2CH₃OH]⁺, 508.8095[M + H-3CH₃OH]⁺

Fuzi

8

Liquiritin or Isoliquiritin

C₂₁H₂₂O₉

441.1144 [M + Na]⁺, 424.0979 [M + Na–OH]⁺, 350.8191[M + Na–C₆H₃O]⁺

Gancao

9

Benzoylhypaconine

C₃₁H₄₃NO₉

–

–

574.3025[M + H]⁺, 443.8613[M + H-3CH₃OH–H₂O–HO⁻]⁺

Fuzi

10

Mesaconitine

C₃₃H₄₅NO₁₁

632.3079[M + H]⁺, 599.9372[M + H–CH₃OH]⁺, 540.2653[M + H–AcOH–CH₃OH]⁺

Fuzi

11

Hypaconitine

C₃₃H₄₅NO₁₀

616.3089[M + H]⁺, 597.8211 [M + H–H₂O]⁺, 556.2792[M + H–C₂H₄O₂]⁺

Fuzi

12*

Glucuronide conjugation metabolite

C30H47NO13

630.3295 [M + H]⁺, 454.8397[M + H–(GluA–H₂O)]⁺

Fuziline

13*

Glucuronide conjugation metabolite

C₂₁H₂₀O₁₀

433.1145[M + H]⁺, 257.0829[M + H–(GluA–H₂O)]⁺

Isoliquiritigenin

14

Isoliquiritigenin

C₁₅H₁₂O₄

257.0807[M + H]⁺, 239.1624[M + H–H₂O]⁺

Gancao

15

6-gingerdione

C₁₇H₂₄O₄

293.1734[M + H]⁺, 275.1586[M + H–H₂O]⁺

Ganjiang

16

Formononetin

C₁₆H₁₂O₄

269.0799[M + H]⁺, 181.0511[M + H–C₂O₂–CH₃OH]⁺

Gancao

17

14-Acetyltalatizamine

C₂₆H₄₁NO₆

464.3015[M + H]⁺, 446.2652[M + H– H₂O]⁺, 432.6414[M + H–CH₃OH]⁺

Fuzi

18

6-gingerol

C₁₇H₂₆O₄

295.1905[M + H]⁺, 263.1618[M + H–CH₃OH]⁺, 179.1028[M + H–C₇H₁₅O]⁺

Ganjiang

19

6-shogaol

C₁₇H₂₄O₃

277.1794[M + H]⁺, 260.1816[M + Na–OH]⁺, 245.1533[M + H–CH₃OH]⁺

Ganjiang

20

Atractylenolide II

C₁₅H₂₀O₂

233.1533[M + Na]⁺, 187.1487[M + Na–CH₂O₂]⁺,

159.1179[M + Na–CH₂O₂–C₂H₄]⁺, 145.1005[M + Na–CH₂O₂–C₃H₆]⁺

Baizhu

21

Chasmanine

C₂₅H₄₁NO₆

474.2841[M + H]⁺, 442.0836[M + H–CH₃OH]⁺

Fuzi

22

Glycyrrhizic acid

C₄₂H₆₂O₁₆

823.4094[M + H]⁺, 647.3792[M + H–(GluA–H₂O)]⁺

Gancao

23

Atractylenolide I

C₁₅H₁₈O₂

231.1382[M + H]⁺, 105.9823[M + H–HCOOH–2C₂H₄–2C]⁺

Baizhu

24

Neoline

C₂₄H₃₉NO₆

460.2669 [M + Na]⁺, 442.2666[M + Na–H₂O]⁺

Fuzi

25

7-hydroxycoumarin

C₉H₆O₃

163.0396[M + H]⁺, 145.5012[M + H–H₂O]⁺

Baizhu

26

Glycyrrhetinic acid

C₃₀H₄₆O₄

471.3479[M + H]⁺, 453.4285[M + H–H₂O]⁺

Gancao