Table 1 Identified 22 potential biomarkers between CW and ZCW by RPLC-Q-TOF/MS in positive ESI mode ^a

1

30.80

648.3022

648.3015

10-OH-Mesaconitine

C₃₃H₄₅NO₁₂

648[M + H]⁺

↓

556[M + H–C₃H₈O₃]⁺

538[M + H–C₃H₁₀O₄]⁺

528[M + H–C₄H₈O₄]⁺

105[M + H–C₂₆H₄₁NO₁₁]⁺

2

32.36

632.3099

632.3065

Mesaconitine

C₃₃H₄₅NO₁₁

632[M + H]⁺

↓

572[M + H–C₂H₄O₂]⁺

540[M + H–C₃H₈O₃]⁺

512[M + H–C₄H₈O₄]⁺

105[M + H–C₂₆H₄₁NO₁₀]⁺

3

32.77

662.3158

662.3171

10-OH-Aconitine

C₃₄H₄₇NO₁₂

662[M + H]⁺

↓

602[M + H–C₂H₄O₂]⁺

570[M + H–C₃H₈O₃]⁺

DDAs

542[M + H–C₄H₈O₄]⁺

105[M + H–C₂₇H₄₃NO₁₁]⁺

4

33.97

616.3159

616.3116

Hypaconitine

C₃₃H₄₅NO₁₀

616[M + H]⁺

↓

584[M + H–CH₄O]⁺

556[M + H–C₂H₄O₂]⁺

524[M + H–C₃H₈O₃]⁺

105[M + H–C₂₆H₄₁NO₉]⁺

5

35.51

630.3271

630.3273

Deoxyaconitine

C₃₄H₄₇NO₁₀

630[M + H]⁺

↓

570[M + H–C₂H₄O₂]⁺

538[M + H–C₃H₈O₃]⁺

510[M + H–C₄H₈O₄]⁺

105[M + H–C₂₇H₄₃NO₉]⁺

6

21.1

606.2881

606.2909

10-OH-Benzoylmesaconine

C₃₁H₄₃NO₁₁

606[M + H]⁺

↑

574[M + H–CH₄O]⁺

556[M + H–CH₆O₂]⁺

524[M + H–C₂H₁₀O₃]⁺

105[M + H–C₂₅H₄₃NO₉]⁺

7

24.87

620.3020

620.3065

10-OH-Benzoylaconine

C₃₂H₄₅NO₁₁

620[M + H]⁺

↑

602[M + H–H2O]⁺

570[M + H–CH₆O₂]⁺

538[M + H–C₂H₁₀O₃]⁺

MDAs

105[M + H–C₂₅H₄₅NO₁₀]⁺

8

26.53

590.2987

590.2960

Benzoylmesaconine

C₃₁H₄₃NO₁₀

590[M + H]⁺

↑

572[M + H–H₂O]⁺

558[M + H–CH₄O]⁺

540[M + H–CH₆O₂]⁺

105[M + H–C₂₄H₃₉NO₉]⁺

9

28.65

604.3098

604.3116

Benzoylaconine

C₃₂H₄₅NO₁₀

604[M + H]⁺

↑

586[M + H–H₂O]⁺

572[M + H–CH₄O]⁺

554[M + H–CH₆O₂]⁺

105[M + H–C₂₅H₄₁NO₉]⁺

10

29.46

574.3009

574.3011

Benzoylhypaconine

C₃₁H₄₃NO₉

574[M + H]⁺

↑

542[M + H–CH₄O]⁺

510[M + H–C₂H₈O₂]⁺

105[M + H–C₂₄H₃₉NO₈]⁺

11

34.58

602.3297

602.2960

Deacetoxy 10-OH-Aconitine

C₃₂H₄₃NO₁₀

602[M + H]⁺

↓

584[M + H–H₂O]⁺

570[M + H–CH₄O]⁺

552[M + H–CH₆O₂]⁺

12

28.38

572.2858

572.2854

Dehydrated Benzoylmesaconine

C₃₁H₄₁NO₉

572[M + H]⁺

↓

554[M + H–H₂O]⁺

540[M + H–CH₄O]⁺

522[M + H–CH₆O₂]⁺

13

29.56

586.3025

586.3011

Dehydrated Benzoylaconine

C₃₂H₄₃NO₉

586[M + H]⁺

↓

554[M + H–CH₄O]⁺

536[M + H–CH₆O₂]⁺

14

32.52

570.3037

570.3061

Benzoyldeoxyaconine

C₃₂H₄₃NO₈

570[M + H]⁺

↓

552[M + H–H₂O]⁺

520[M + H–CH₆O₂]⁺

15

40.58

850.5086

850.5100

8-Linolen-Benzoylmesaconine

C₄₉H₇₁NO₁₁

850[M + H]⁺

↓

572[M + H–C₁₈H₃₀O₂]⁺

16

41.05

852.5278

852.5620

8-Ole-Benzoyldeoxyaconine

C₅₀H₇₇NO₁₀

852[M + H]⁺

↓

570[M + H–C₁₈H₃₄O₂]⁺

17

41.77

836.5316

836.5307

8-Lino-Benzoylhypaconine

C₄₉H₇₃NO₁₀

836[M + H]⁺

↑

556[M + H–C₁₈H₃₂O₂]⁺

LOAs

18

42.31

812.5295

812.5307

8-Pal-Benzoylhypaconine

C₄₇H₇₃NO₁₀

812[M + H]⁺

↑

556[M + H–C₁₆H₃₂O₂]⁺

19

42.45

838.5429

838.5464

8-Ole-Benzoylhypaconine

C₄₉H₇₅NO₁₀

838[M + H]⁺

↑

556[M + H–C₁₈H₃₄O₂]⁺

20

42.81

826.5433

826.5464

8-Pal-Benzoyldeoxyaconine

C₄₈H₇₅NO₁₀

826[M + H]⁺

↑

570[M + H–C₁₆H₃₂O₂]⁺

21

13.86

358.2358

358.2377

Songorine

C₂₂H₃₁NO₃

358[M + H]⁺

↓

340[M + H–H₂O]⁺

NEAs

22

21.76

464.2977

464.3007

14-Acetyl-Talatisamine

C₂₆H₄₁NO₆

464[M + H]⁺

↓

446[M + H–H₂O]⁺