Table 2 Putative identified features (m/z × RT pairs) using HRMS and MS/MS fragmentation patterns using MzMine, MS-finder and DNP database

1

2.69

469.0038 [M-H] -

−0.0003489

C₂₁H₁₀O₁₃

flavogallonic acid

Hydrolyzable tannins

•

•

2

5.9

641.3692 [M + H] +

0.0014128

C₃₇H₅₂O₉

23-Galloylarjunolic acid

Triterpenoids

•

•

3

4.95

315.0139 [M-H] -

−0.0018512

C₁₅H₈O₈

3-O-Methylellagic acid

Hydrolyzable tannins

•

•

4

6.61

345.061 [M + H] +

0.0016802

C₁₇H₁₂O₈

Nasutin B

Hydrolyzable tannins

•

•

5

3.36

633.0721 [M-H] -

−0.0004476

C₂₇H₂₂O₁₈

Corilagin

Hydrolyzable tannins

•

•

6

6.01

519.3322 [M + H] +

0.0014948

C₃₀H₄₆O₇

Cucurbitacin F

Cucurbitacins

•

•

7

4.27

300.9984 [M-H] -

0.0007995

C₁₄H₆O₈

Ellagic acid

Hydrolyzable tannins

•

•

8

4.11

447.0561 [M-H] -

0.001142

C₂₀H₁₆O₁₂

Eschweilenol C

Hydrolyzable tannins

•

•

9

5.85

487.3421 [M + H] +

0.0019794

C₃₀H₄₆O₅

Astrantiagenin J

Triterpenoids

•

•

10

7.04

547.3265 [M-H] -

0.0009789

C₃₁H₄₈O₈

Quadrangularic acid F

Cycloartanols and derivatives

•

•

11

5.3

817.4001 [M-H] -

− 0.000099

C₄₃H₆₂O₁₅

Quadranoside XI

Triterpene saponins

•

•

12

5.65

521.0927 [M-H] -

− 0.0000521

C₂₃H₂₂O₁₄

Quercetagetin 7-(6″-acetylglucoside)

Flavonoid-7-O-glycosides

•

•

13

5.61

667.4061 [M + H] +

− 0.0015523

C₃₆H₅₈O₁₁

Quercilicoside A

Triterpene saponins

•

•

14

5.9

801.405 [M-H] -

0.0008995

C₄₃H₆₂O₁₄

Russelioside G

Steroidal glycosides

•

•

15

3.97

600.9883 [M-H] -

−0.0002343

C₂₈H₁₀O₁₆

Terminalin

Hydrolyzable tannins

•

•

16

12.17

754.585 [M + H] +

0.0016545

C₄₃H₇₉NO₉

Chrysogeside D

Fatty acyl glycosides of mono and disaccharides

•

°

17

1.15

214.09 [M + H] +

−0.0009109

C₁₃H₁₁NO₂

Bruceolline E

Indoles

•

°

18

5.19

505.3526 [M + H] +

−0.0010109

C₃₀H₄₈O₆

Myrianthic acid

Triterpenoids

•

°

19

7.67

489.3578 [M + H] +

0.0012948

C₃₀H₄₈O₅

Arjunolic acid

Triterpenoids

•

°

20

4.61

435.1287 [M-H] -

0.0003775

C₂₁H₂₄O₁₀

Phlorizin

Flavonoid O-glycosides

•

°

21

3.46

759.1191 [M-H] -

−0.000299

C₃₇H₂₈O₁₈

Prodelphinidin A2 3′-gallate

Biflavonoids and polyflavonoids

•

°

22

7.8

529.3167 [M-H] -

0.0013078

C₃₁H₄₆O₇

Acinospesigenin B

Triterpenoids

•

°

23

3.8

457.0765 [M-H] -

0.0012078

C₂₂H₁₈O₁₁

Epigallocatechin gallate

Catechin gallates

•

°

24

0.92

783.0694 [M + H] +

0.0006408

C₃₄H₂₂O₂₂

Punicalin

Hydrolyzable tannins

•

°

25

7.19

505.3526 [M + H] +

0.0009774

C₃₀H₄₈O₆

Protobassic acid

Triterpenoids

°

•

26

7.48

359.0767 [M + H] +

0.0012374

C₁₈H₁₄O₈

5,3′-Dihydroxy-4′,5′-dimethoxy6,7methylenedioxyisoflavone

3′-hydroxy, 4′-methoxyisoflavonoids

°

•

27

5.56

329.0296 [M + H] -

−0.003745

C₁₆H₁₀O₈

3,3′-di-O-Methylellagicacid;3,3′-Dimethoxyellagic acid

Hydrolyzable tannins

°

•

28

2.2

933.0623 [M + H] -

0.0003774

C₄₁H₂₆O₂₆

Vescalagin

Hydrolyzable tannins

°

•

29

3.79

1083.0574 [M + H] -

0.0011788

C₄₈H₂₈O₃₀

Punicalagin

Hydrolyzable tannins

°

•

30

4.57

450.9933 [M + H] -

−0.0004062

C₂₁H₈O₁₂

Flavogallol

Hydrolyzable tannins

°

•

31

6.46

327.014 [M + H] -

0.0006908

C₁₆H₈O₈

Pteleoellagic acid

°

•

32

7.67

533.348 [M + H] -

0.0007408

C₃₁H₅₀O₇

Methyl 4,23, 29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid

17-hydroxysteroids

°

•

33

3.67

463.0507 [M + H] -

−0.0007903

C₂₀H₁₆O₁₃

Ellagic acid glucoside

Hydrolyzable tannins

°

•

34

4

433.0403 [M + H] -

0.0011876

C₁₉H₁₄O₁₂

Ellagic acid arabinoside

Hydrolyzable tannins

°

•

35

6.26

817.4003 [M + H] -

0.0027568

C₄₃H₆₂O₁₅

Quadranoside XI;(+) - Quadranoside XI

Triterpene saponins

°

•

36

6.24

627.0978 [M + H] -

0.0010289

C₂₉H₂₄O₁₆

1-O-p-(E)-Coumaroyl-4,6-(S)-HHDP-beta-D-glucopyranose

Hydrolyzable tannins

°

•

37

7.2

503.3364 [M + H] -

0.0010639

C₃₀H₄₈O₆

Tomentosic acid

Triterpenoids

°

•

38

3.19

483.077 [M + H] -

0.0016802

C₂₀H₂₀O₁₄

1,6-Digalloyl-beta-Dglucopyranose

Tannins

°

•