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Table 3 Detection of Dai-Huang-Fu-Zi-Tang in negative ion mode

From: Dai-Huang-Fu-Zi-Tang alleviates pulmonary and intestinal injury with severe acute pancreatitis via regulating aquaporins in rats

Peak.No

t R (min)

Identity

Formula

Selected ion

m/z

Error

(ppm)

     

Theoretical

Experimental

1

7.735

Gallic acid

C7H6O5

[M − H]−

169.0142

169.0144

−1.13

2

13.308

Hypaconine

C24H39NO8

[M − H]−

468.2603

468.2598

−0.61

3

29.390

Kakuol

C10H10O4

[M − H]−

193.0506

193.0503

1.66

4

31.643

Rhein-8-O-β-D-glucopyranoside

C21H18O11

[M − H]−

445.0776

445.0778

−0.84

5

31.809

Safrole

C10H10O2

[M − H]−

161.0608

161.0614

−0.01

6

32.076

Benzoylmesaconine

C31H43NO10

[M − H]−

588.2824

588.2825

−0.85

7

32.744

Kaempferol 3-glucoside

C21H20O11

[M − H]−

447.0933

447.0938

−0.95

8

34.012

Sesamin

C20H18O6

[M − H]−

353.1031

353.1038

1.6

9

35.180

α-Asarone

C12H16O3

[M − H]−

207.1027

207.1026

0.08

10

35.396

Benzoylaconitine

C32H45NO10

[M − H]−

602.2971

602.2973

−0.8

11

38.783

Ehrysophanol-8-O-β-D-glueopyranoside

C21H20O9

[M − H]−

415.1035

415.1038

−0.67

12

38.950

Aloeemodin-ω-β-D-glucopyranoside

C21H20O10

[M − H]−

431.0984

431.0985

−0.38

13

40.985

Kaempferol

C15H10O6

[M − H]−

285.0405

285.0409

−1.49

14

42.737

Rhein

C15H8O6

[M − H]−

283.0248

283.0252

−1.87

15

43.588

Methyleugenol

C11H14O2

[M − H]−

177.0921

177.0918

4.28

16

45.907

Emodin

C15H10O5

[M − H]−

269.0455

269.0459

−1.25

17

49.060

Chrysophanic acid

C15H10O4

[M − H]−

253.0506

253.0501

0.06