Compound

Regression equationa

Correlation coefficient (r)

Linear range (μg/mL)

LOD (μg/mL)

LOQ
(μg/mL)

Xanthotoxol

y= 35221x+ 53381

0.9996

0.25 ~ 4.00

0.10

0.35

Marmesin

y= 197101x+ 23307

0.9995

0.25 ~ 8.00

0.10

0.40

Bergapten

y= 272875x+ 1614.8

0.9996

0.20 ~ 1.80

0.05

0.18

Imperatorin

y= 158572x- 1516.2

0.9996

0.20 ~1.10

0.05

0.17

No.

tR (min)

[M - H]-

[M + H]+

MS/MS

Formula

Identification

GR

pGR

peels

Observed Mass (Da)

Calculated Mass (Da)

Error (ppm)

Observed Mass (Da)

Calculated Mass (Da)

Error (ppm)

1

6.86

329.08752

329.08781

0.88

-

-

-

-

C₁₄H₁₈O₉

vanillic acid 4-O-β-D- glucopyranoside

+

+

+

2

6.88

167.03474

167.03498

1.45

-

-

-

-

C₈H₈O₈

vanillic acid

+

+

+

3

8.33

369.08211

369.08272

1.65a

325.09079

325.09179

3.08

-

C₁₅ H₁₆O₄

umbelliferone 7-O-D- glucopyranoside

+

+

+

4

8.82

353.08753

353.08781

0.79

355.10117

355.10236

3.34

-

C₁₆H₁₈O ₉

scopolin

+

+

+

5

9.38

551.17674

551.17701

0.49

-

-

-

-

C₂₆H₃₂o₁₃

glehlinoside C

+

+

+

6

9.71

463.08844

463.08820

-0.52

-

-

-

-

C₂₁H₂₀O₁₂

isoquercetin

-

-

+

7

9.92

505.17194

505.17154

-0.80

-

-

-

-

C₂₅ H₃₀ O₁₁

2,3-E-2,3-dihydro-2- (3'-methoxy-4'-hydroxy
-phenyl)-3-hydroxymethyl
-5-(3''-hydroxypropeyl)
-7-O-β-D-glucopyranosyl
-1-benzo[b]furan

-

-

+

8

10.13

485.16555

485.16645

1.85a

-

-

-

-

C₂₁ H₂₈ O₁₀

7-O-methylpeucedanol 3'
-O-β-D-glucopyranoside

+

-

+

9

10.17

505.16951

505.17154

4.01

-

-

-

-

C₂₅ H₃₀ O₁₁

glehlinoside I

-

-

+

10

10.18

179.03476

179.03498

1.24

-

-

-

135.04494

C₉H₈ O₄

caffeic acid

+

-

+

11

10.25

571.13210

571.13046

-2.87a

-

-

-

-

C₂₃ H₂₆ O₁₄

bergaptol 5-O-β
-D-gentiobioside

-

-

+

12

10.47

523.21772

523.21849

1.47

-

-

-

-

C₂₆H₃₆O₁₁

(–)-secoisolariciresinol 4-
O-β-
D-glucopyranoside

+

+

+

13

10.48

361.16533

361.16566

0.92

363.17900

363.18022

3.34

C₂₀H₂₆ O₆

(–)-secoisolariciresinol

-

-

+

14

10.56

553.22858

553.22905

0.85

-

-

-

-

C₂₇ H₃₈ O₁₂

glehlinoside G

+

-

+

15

10.58

469.13496

469.13515

0.40a

-

-

-

-

C₂₀O₁₀

hydroxymarmesin 4'-O-β- D-glucopyranoside

+

-

+

16

11.13

609.14574

609.14611

0.60

-

-

-

301.0362

C₂₇H₃₀O₁₆

rutin

+

-

-

17

11.19

585.18177

585.18249

1.24

-

-

-

-

C₂₆  H₃₄ O₁₅

oxymarmesin 5'-O-β- D-glucopyranoside

-

-

+

18

11.28

585.18020

585.18249

3.92a

-

-

-

-

C₂₅ H₃₂ O₁₃

marmesin 4'-O-β-D- apiofuranosyl-(1→6)
-β-D-glucopyranoside

+

-

-

19

11.61

453.13985

453.14024

0.84a

409.14853

409.14931

1.91

247.09641;
229.08590;
187.03895

C₂₀ H₂₄ O₉

marmesinin (nodakenin)

+

+

+

20

11.64

617.20815

617.20871

0.91a

-

-

-

-

C₂₆H₃₆ O₁₄

7-O-methylpeucedanol 3'-
O-
β-D-apiofuranosyl-(1→6)
-β-D- glucopyranoside

+

-

+

21

11.94

599.19706

599.19814

1.81a

-

-

-

-

C₂₆ H₃₄ O₁₃

osthenol 7-O-β-D- gentiobioside

+

-

+

22

12.34

687.22781

687.22944

2.37

-

-

-

-

C₃₄ H₄₀ O₁₅

glehlinoside D

+

-

+

23

12.44

191.03474

191.03498

1.27

193.04931

193.04954

1.16

-

C₁₀ H₈ O₄

scopoletin

+

-

+

24

12.58

161.02417

161.02442

1.53

-

-

-

-

C₉ H₆ O₃

umbelliferone

+

-

-

25

13.10

703.25956

703.26074

1.69

705.27363

705.27530

2.36

-

C₃₅ H₄₄ O₁₅

glehlinoside B

+

-

+

26

13.21

519.18677

519.18719

0.80

-

-

-

-

C₂₆ H₃₂ O₁₁

glehlinoside J

-

-

+

27

13.25

685.24752

685.25018

3.88

687.26254

687.26473

3.19

-

C₃₅ H₄₂ O₁₄

glehlinoside F

-

-

+

28

13.49

673.24896

673.25018

1.81

675.26304

675.26473

2.51

-

C₃₄ H₄₂ O₁₄

glehlinoside A

+

+

+

29

14.38

699.26414

699.26583

2.41

701.27773

701.28038

3.78

-

C₃₆H₄₄O₁₄

glehlinoside E

+

-

+

30

15.30

245.08171

245.08193

0.91

247.09583

247.09649

2.67

-

C₁₄ H₁₄ O₄

marmesin

+

+

+

31

15.75

193.05036

193.05063

1.41

-

-

-

-

C₁₀ H₁₀ O₄

ferulic acid

+

-

+

32

16.29

231.02964

231.02990

0.83a

-

-

-

-

C₁₁ H₆ O₃

psoralen

+

-

+

33

18.01

303.08717

303.08741

0.43a

-

-

-

-

C₁₅ H₁₄ O₄

7-O- (3,3-dimethylallyl)
-scopoletin

+

-

+

34

18.88

-

-

-

217.04921

217.04954

1.49

202.02555

C₁₂ H₈ O₄

xanthotoxin

+

+

+

35

20.22

-

-

-

247.06003

247.06010

0.28

232.03650;
217.01304

C₁₃ H₁₀ O₅

isoimpinellin

+

+

+

36

20.28

-

-

-

217.04944

217.04954

0.44

202.02604

C₁₂ H₈ O₄

bergapten

+

+

+

37

22.65

229.08678

229.08702

1.02

231.10141

231.10157

0.70

-

C₁₄ H₁₄ O₃

demethylsuberosin

+

+

+

38

23.25

269.08168

269.08193

0.60

-

-

-

-

C₁₆ H₁₄ O₄

8-(1,1-dime thylallyl)- 5-hydroxypsorolen

+

+

+

39

24.57

299.09221

299.09250

0.96

301.10636

301.10705

2.29

-

C₁₇ H₁₆ O₅

cnidilin

+

+

+

40

24.60

269.08174

269.08193

0.73

-

-

-

254.05898;
226.06397

C₁₆ H₁₄ O₄

alloisoimperatorin

+

+

+

41

25.05

269.08169

269.08193

0.50

271.09571

271.09649

2.87

203.03440

C₁₆ H₁₄ O₄

imperatorin

+

+

+

42

25.06

-

-

-

339.15904

339.15909

0.13

-

C₂₁ H₂₂ O₄

8-geranyloxypsoralen

-

-

+

43

27.09

269.08170

269.08193

0.86

271.09619

271.09649

1.09

203.03364

C₁₆ H₁₄ O₄

isoimperatorin

+

+

+

44

27.10

201.01909

201.01933

1.19

203.03368

203.03389

0.99

147.04402

C₁₁ H₆ O₄

xanthotoxol

+

+

+

45

28.65

259.17014

259.17035

0.81

261.18469

261.18491

0.83

-

C₁₇ H₂₄ O₂

panaxydiol

+

+

-

46

29.35

289.18066

289.18092

0.49a

245.18978

245.18999

0.88

-

C₁₇ H₂₄ O

panaxynol

+

+

+

47

36.81

259.17010

259.17035

0.53

261.18492

261.18491

-0.05

-

C₁₇ H₂₄ O₂

falcarindiol

+

+

+

Sample

Content (μg/g)

Xanthotoxol

Marmesin

Bergapten

Imperatorin

Total content

GR

13.723 ± 0.212

56.689 ± 0.505

8.099 ± 0.282

10.589 ± 0.236

89.100 ± 0.717

pGR

8.782 ± 0.130

36.346 ± 0.435

4.314 ± 0.216

6.598 ± 0.286

56.040 ± 0.906

peels

18.403 ± 0.100

62.902 ± 0.197

7.510 ± 0.180

12.057 ± 0.485

100.872 ± 0.502

Samples

a
DPPH scavenging ratio (%)

IC50 (μg/mL)

10 (μg/mL)

50 (μg/mL)

100 (μg/mL)

200 (μg/mL)

500 (μg/mL)

GR

14.66 ± 0.94*

16.58 ± 1.27*

20.91 ± 0.34*

39.58 ± 0.53*

57.77 ± 0.86*

461.02

pGR

10.68 ± 0.73*

14.04 ± 0.70*

15.83 ± 0.84*

17.59 ± 1.83*

28.97 ± 2.62*

> 500

peels

14.92 ± 0.77*

22.49 ± 2.81*

31.25 ± 0.83*

45.56 ± 1.00*

65.67 ± 1.79*

249.88

Samples

a
ABTS+ scavenging ratio (%)

IC50 (μg/mL)

10 (μg/mL)

50 (μg/mL)

100 (μg/mL)

200 (μg/mL)

500 (μg/mL)

GR

4.98 ± 1.61*

10.47 ± 0.37*

19.48 ± 0.65*

40.07 ± 1.07*

75.15 ± 0.16*

253.25

pGR

3.16 ± 1.73*

7.52 ± 0.00*

20.71 ± 2.27*

35.09 ± 0.03*

62.31 ± 0.61*

335.47

peels

7.33 ± 1.31*

17.94 ± 0.38*

33.93 ± 0.91*

57.24 ± 0.13*

74.54 ± 0.11*

174.66