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Table 1 Peak assignments and tentative identification of the major constituents in N. alba AEE by HRESI-MS/MSa in the positive and negative modes

From: Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity

Peak Number

Tentatively Identified Compound

tRb (min.)

[M-H]−m/zd

Negative Ionization MS/MSc

[M + H]+m/zd

Positive Ionization MS/MS

1

HHDPe -hexoside

1.85

481.06

301.14 463.2 275.18

483.08

465.14 437.07 309.07 263

2

Epicatechin derivative

2.94

427.09

265.15 307.14 367.23 289.19 247.1 221.15

  

3

Ellagitannin derivative

3.59

817.07

773 481 301.11 481.24 275.19 247.23

819.09

801.2 481.13 463.05 337.14 319.14 303.12

4

HHDP-galloyl-ellagic acid

4.12

773.09

301.17 729 471.27 275.24 247

  

5

Ellagic acid

4.44

301.15

257.22 229.10 185.16

303.1

275.03 257.1 247.04 229.13 165.02

6

Isorhamnetin derivative

5.38

386.96

315 343.21 271.16 255.16 189.02 161.06

  

7

Quercetin 3–O-acetyl hexoside

12.73

505.07

459.19 403.18 487.14 301.12 275.17 231.25 247.09 169.12

507.09

489.14 447.14 405.14 387.03 303.18 205.14187.17

8

Ellagic rhamnosyl hexoside

13.27

609.17

403.17 563.18 447.3 429.2 359.2 291.22 301.13 275.28 247.19

611.18

593.30 551.30 533.27 449.30 389.21 343.21 303.22

9

Lagerstannin A (Bis-HHDP-gluconic acid)

13.40

799.06

497.16 301.21 755.24 453.26

801.08

463.15 765.11 783.17 481.15 337.12 303.15 277.10 247.15

10

Brevifolin

13.5

247.02

203.11 bp 175.13

249.6

207.05 232.12 221.12 187.08 159.04 131.04

11

Phyllanthusiin U

13.72

924.11

301.01 622.2 604.24 905.22 451.19

926.13

908.2 303.12 277.15 703.25 606.26

12

Valoneic acid dilactone dimer

13.81

939.02

469.24 425.21 300.2

941.02

453.15 922.27 621.2 470.99 407.19

13

3,4,8,9,10-Pentahydroxydibenzo[b,d]pyran-6-one

14.13

275.02

245.05 257.08 231.1 229.2 203.08 187.18

277.03

235.23 221.17 183.17

14

Luteolin

14.34

285.04

257.16 241.13 229.2 213.23 185.2 167.24

  

15

Ellagitannin derivative

14.45

931.11

301.14 783.2

933.03

873.05 915

16

Methyl gallate

14.56

183.03

168.13 124.03 169.09

185.33

167.07 153.03 104.96 129.07

17

Ellagic acid hexoside

15.54

463.05

301.2 419.2 417.16 331.7 274.96 251.07 247.2

465.05

303.09 447.13

18

Catechin or epicatechin derivative

15.83

621.07

575.46 439.15 289.19 245.10 217.14

  

19

Orientin

16.3

447.02

403.16 233.03 427.03 359.17 277.12 357.18 329.16 327.18 315.23 301.19 287.17 189.05

  

20

Ellagitannin derivative

16.63

755.07

711.24 453.19 301.21 435.21 409.36 275 247.23

  

21

Phyllanthusiin E

17.04

291.04

247.11 203.18

293.03

247.11 275.06

22

Ellagitannin derivative

17.17

1153.09

799.17 755.21 453.16 409.24

  

23

Phyllanthusiin B isomer

18.05

969.09

631.25 667.22 451.15 331.27 291.07

  

24

Castalin derivative

18.77

967.07

631.14 451.2 571.19

969.08

950.82 499.10 579.02 481.16 453.10 355.1 337.17

25

HHDP-gluconic acid

19.21

497.06

463.20 453.24 301.07 291.18 275.18 257.25 247.23

  

26

Ellagic acid-galloyl hexoside

20.85

613.05

451.13 425.26 569.22 509.16

  

27

Phyllanthusiin B

21.17

969.09

633.26 923.18 951.26 667.26 ch301.24 451.30 275.18

971.1

953.16 651.14 633.17 615.15 481.21 453.18 303.15 277.17

28

Vescalagin or castalagin

21.28

933.06

613.20 301.15 631.2 273.14 915.21

935.07

916.31 615.34 481.12 453.13 303.19 277.18

29

Apigenin

24.66

269.03

223.01 179.07

  

30

Phyllanthusiin C

24.91

925.10

605.29 301.08 623.23 905.15 633.08 453.09 291.18 273.06

927.11

909.26 607.23 589.14 571.16 419.23 321.19 303.1 277.11

31

Corilagin (Galloyl HHDP hexoside)

25.14

633.07

301.14 589.22 481.29 275.27 257.15

635.08

443.11 617.23 573.16 355.11 254.15 191.12

32

Pedunculagin (Bis HHDP-hexoside)

25.77

783.07

481.17 737.33 301.11 451.11

785.08

767.15

33

Castalin

26.17

631.06

301.20 299.12 451.18 271.05

633.07

615.12

34

Phyllanthusiin C derivative

27.24

1217.12

925.56

  

35

Lagerstannin C (Galloyl-HHDP-gluconic acid

27.33

649.1

603.26 605.27 631.23 469.18 441.17 451.26 301.14 247.19

651.08

633.13 481.19 337.11

36

Catechin or epicatechin

28.29

289.12

245.09 217.18

291.42

247.1 272.03 235.09 219.07 191.07

37

Lagerstannin B (flavogalloyl HHDP-gluconic acid)

29.82

949.11

647.25 905.25 629.24 477.24 333.21 301.15 275.2

  

38

Granatin B(Galloyl-HHDP-DHHDP-hex)

30.97

951.08

605.26 649.21 301.15 631.23 907.21 952.19 497.23

953.08

277.10 935.15 633.24 615.12 321.11 303.11

39

Dehydrated tergallic C-glucoside

31.4

613.05

299.07 301.27 569.27 595.15 227.15

615.06

453.14 387.09 313.15

40

Cinnamic acid derv.

31.5

329.09

197.10 239.1 169.07

331.13

299.09 313.19 272.12 236.09 151.04

41

Phyllanthusin B derivative

32.18

981.59

969.23 933.23 613.24 481.26

  

42

Valoneic acid dilactone

32.47

469

425.15 301.09

  

43

Gallic acid derivative

32.61

198.62

169.06 153.14 125.21 117.06

  

44

Ellagitannin derivative

33.31

907.08

605.19 863.09 587..23 561.23 301.14 275.11

909.09

890.22 703.08 589.21 321.19 303.05 277.09

45

Digalloyl ellagic acid

33.62

605.62

561.25 247.18 291.12 203.18 453.24 435.12 229.08

607

315.05 589.27 565.23 549.25 505.27

46

Castalgin derivative

34.51

965.09

631.22 301.03

967.10

647.25 949.1 906.2 629.26 495.16 445.26 303.18 27.10

47

Chebulagic acid

34.79

953.18

935.32, 907.22 649.28 605.1 631.28 301.22 291.24

955.19

937.20 633.17 481.26 463.28 319.11 301.16 27.19

48

Ellagic acid pentoside

38.56

433.04

291.15 bp 405.17 301.18 275.23 247 229

435.15

417.19 bp 407.25 399.14 376.35 343.11 325.11 299.19 181.19

49

Ellagic acid rhamnosyl

39.07

447.02

359.17 403.2 385.11 315.25 301.13 275.18

448.98

413.09 405.24 331.08 277.1

50

Geraniin

40.40

951.07

933.10 613.20 301.13 631.15

  

51

Vescalagin derivative

40.8

965.09

613.2 933.19 301.09

967.10

935.17 647.22 277.12

52

Galloyl ellagic acid

41.83

453.04

301.13 438.34 291.12 247.11 169.13 273.27

455.08

437.13 394.98

53

Gallic acid

62.11

169.01

125.11

  
  1. Boldface digits reflects the base peak (100% abundance)
  2. Fragment ions are listed in order of relative abundances
  3. aHigh resolution liquid chromatography coupled with electrospray ionisation mass /mass spectometry
  4. bRetention time
  5. cMass/Mass spectrometry
  6. dMass to charge ratio
  7. eHexahydroxydiphenic acid