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Table 1 Saponins of Hedera nepalensis characterized by UHPLC-Q-TOF-MS/MS

From: UHPLC‐Q‐TOF‐MS/MS‐guided dereplication to study chemical constituents of Hedera nepalensis leaves in northern Vietnam

Peak No

TR (min)

Formula

Chemical name

ESI mode

Error (ppm)

Exact mass

Found at mass

MS/MS

15

8.29

C59H96O27

Hederasaponin G

+ 

2.31

1254.6482

1254.6511

[M + NH4]+

1237.6251 [M + H]+

1075.5465 [M + H-C6H10O5]+

943.5270 [M + H-C11H18O9]+

797.4641 [M + H-C16H24O14]+

635.4247 [M + H-C22H34O19]+

473.6549 [M + H-C28H44O24]+

20

11.09

C60H98O27

Hederagenin 3-O-[α-L-Rhamnopyranosyl-(1 → 2)-β-D-glucopyranoside], 28-O-[α-L-rhamnopyranosyl-(1 → 4)-β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl] ester

2.88

1249.6217

1249.6253

[M-H]

779.4580 [M-H-C18H30O14]

469.1681 [M-H-C30H50O23]

21

11.29

C58H92O26

30-Norhederagenin 3-O-[α-L-arabinopyranosyl-(1 → 2)-α-L-rhamnopyranoside], 28-O-[β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl-(1 → 2)-α-L-rhamnopyranosyl] ester

or

30-Norhederagenin 3-O-[α-L-arabinopyranosyl-(1 → 2)-α-L-rhamnopyranoside], 28-O-[β-D-glucopyranosyl-(1 → 2)-(β-D-glucopyranosyl-(1 → 4))-α-L-rhamnopyranosyl] ester

 + 

0.90

1222.6221

1222.6232

[M + NH4]+

1205.6032 [M + H]+

1073.5480 [M + H-C5H8O4]+

927.4980 [M + H-C11H18O8]+

765.4387 [M + H-C16H24O14]+

603.3930 [M + H-C22H34O19]+

457.3304 [M + H-C28H44O23]+

439.3211 [M + H- C28H46O24]+

22

12.57

C36H58O8

Hederagenin 3-O-α-L-Rhamnopyranoside

or

Hederagenin 28-O-α-L-Rhamnopyranoside

 + 

0.65

619.4210

619.4214

[M + H]+

473.3622 [M + H-C6H10O4]+

455.3503 [M + H-C6H12O5]+

437.3398 [M + H-C6H14O6]+

391.3355 [M + H-C7H16O8]+

23

12.64

C59H96O26

Hederasaponin C

0.82

1219.6112

1219.6122

[M-H]

749.4516 [M-H-C18H30O14]

603.3934 [M-H-C24H40O18]

469.1586 [M-H-C29H50O22]

24

13.27

C53H86O22

Hederagenin 3-O-[α-L-Rhamnopyranosyl-(1 → 2)-α-L-arabinopyranoside], 28-O-[β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl] ester

0.63

1119.5587

1119.5594

[M + HCOO]

1073.5595 [M-H]

749.4546 [M-H-C12H20O10]

603.3944 [M-H-C18H30O14]

469.1593 [M-H-C23H40O18]

25

13.38

C36H58O8

Hederagenin 28-O-α-L-Rhamnopyranoside

or

Hederagenin 3-O-α-L-Rhamnopyranoside

 + 

− 0.32

619.4210

619.4208

[M + H]+

473.3628 [M + H-C6H10O4]+

455.3506 [M + H-C6H12O5]+

437.3400 [M + H-C6H14O6]+

391.3358 [M + H-C7H16O8]+

26

13.75

C58H92O25

Ciwujianoside B

1.47

1187.5850

1187.5867

[M-H]

717.4183 [M-H-C18H30O14]

469.1551 [M-H-C40H62O11]

27

13.85

C61H98O27

Hederagenin 3-O-[α-L-Rhamnopyranosyl-(1 → 2)-α-L-arabinopyranoside], 28-O-[α-L-rhamnopyranosyl-(1 → 4)-6-O-acetyl-β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl] ester

 + 

0.32

1263.6374

1263.6378

[M + H]+

1117.5852 [M + H-C6H10O4]+

985.5379 [M + H-C11H18O8]+

839.4808 [M + H-C17H28O12]+

473.3631 [M + H-C31H50O23]+

455.3498 [M + H-C31H52O24]+

437.3405 [M + H-C31H54O25]+

409.3453 [M + H-C32H54O26]+

28

14.33

C41H64O13

Momordin I

4.36

763.4269

763.4302

[M-H]

631.3833 [M-H-C5H8O4]

455.3520 [M-H-C11H16O10]

29

14.57

C63H100O28

Hederagenin 3-O-[α-L-arabinopyranosyl-(1 → 2)-4-O-acetyl-α-L-rhamnopyranoside], 28-O-[α-L-rhamnopyranosyl-(1 → 4)-6-O-acetyl-β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl] ester

or

Hederagenin 3-O-[α-L-arabinopyranosyl-(1 → 2)-4-O-acetyl-α-L-rhamnopyranoside], 28-O-[α-L-rhamnopyranosyl-(1 → 4)-(6-O-acetyl-β-D-glucopyranosyl-(1 → 6))-β-D-glucopyranosyl] ester

 + 

0.54

1305.6479

1305.6486

[M + H]+

1173.6058 [M + H-C5H8O4]+

985.5483 [M + H-C13H20O9]+

839.4754 [M + H-C19H30O13]+

635.4241 [M + H-C27H42O19]+

473.3641 [M + H-C33H52O24]+

455.3576 [M + H-C33H54O25]+

437.3468 [M + H-C33H56O26]+

409.3480 [M + H-C34H56O27]+

30

14.98

C59H96O25

Hederasaponin B

1.29

1203.6163

1203.6178

[M-H]

733.4534 [M-H-C18H30O14]

455.3608 [M-H-C29H48O22]

31

15.55

C53H86O21

Oleanolic acid 3-O-[α-L-Rhamnopyranosyl-(1 → 2)-α-L-arabinopyranoside], 28-O-[β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl] ester

2.54

1103.5638

1103.5666

[M + HCOO]

1057.5611 [M-H]

733.4489 [M-H-C12H20O10]

587.4014 [M-H-C18H30O14]

455.3503 [M-H-C23H38O18]

32

15.68

C61H98O26

Oleanolic acid 3-O-[α-L-arabinopyranosyl-(1 → 2)-α-L-rhamnopyranoside], 28-O-[β-D-glucopyranosyl-(1 → 4)-6-O-acetyl-β-D-glucopyranosyl-(1 → 2)-α-L-rhamnopyranosyl] ester

or

Oleanolic acid 3-O-[α-L-arabinopyranosyl-(1 → 2)-α-L-rhamnopyranoside], 28-O-[β-D-glucopyranosyl-(1 → 4)-(6-O-acetyl-β-D-glucopyranosyl-(1 → 2))-α-L-rhamnopyranosyl] ester

 + 

1.50

1264.6691

1264.6710

[M + NH4]+

1247.6405 [M + H]+

1115.5701 [M + H-C5H8O4]+

969.5428 [M + H-C11H18O8]+

807.4700 [M + H-C16H24O14]+

603.4191 [M + H-C24H36O20]+

457.3599 [M + H-C30H46O24]+

439.3587 [M + H-C30H48O25]+

34

17.11

C63H100O27

Oleanolic acid 3-O-[α-L-arabinopyranosyl-(1 → 2)-4-O-acetyl-α-L-rhamnopyranoside], 28-O-[4-O-acetyl-α-L-rhamnopyranosyl-(1 → 4)-β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranosyl] ester

or

Oleanolic acid 3-O-[α-L-arabinopyranosyl-(1 → 2)-4-O-acetyl-α-L-rhamnopyranoside], 28-O-[4-O-acetyl-α-L-rhamnopyranosyl-(1 → 4)-(β-D-glucopyranosyl-(1 → 6))-β-D-glucopyranosyl] ester

 + 

1.30

1306.6796

1306.6813

[M + NH4]+

1289.6569 [M + H]+

1157.5950 [M + H-C5H8O4]+

781.2318 [M + H-C21H32O14]+

457.3660 [M + H-C33H52O24]+

439.3566 [M + H-C33H54O25]+

393.1386 [M + H-C34H56O27]+

35

18.40

C40H62O12

30-Norhederagenin 3-O-[α-L-rhamnopyranosyl-(1 → 2)-α-L-arabinopyranoside]

2.59

733.4163

733.4182

[M-H]

587.3593 [M-H-C6H10O4]

455.3200 [M-H-C11H18O8]

36

19.42

C36H58O9

Hederagenin 3-O-β-D-glucoside or Hederagenin 28-O-β-D-glucoside

4.48

633.4003

633.4031

[M-H]

471.3386 [M-H-C6H10O5]

37

19.56

C36H56O10

Hederagenin 3-O-β-D-Glucuronopyranoside or Hederagenin 28-O-β-D-Glucuronopyranoside

3.40

647.3795

647.3817

[M-H]

471.3496 [M-H-C6H10O5]

39

20.52

C41H66O12

α-Hederin

3.74

749.4476

749.4504

[M-H]

603.3910 [M-H-C6H10O4]

471.3516 [M-H-C11H18O8]

40

23.12

C36H56O9

Oleanolic acid 3-O-β-D-glucuronopyranoside

or Oleanolic acid 28-O-β-D-glucuronopyranoside

2.85

631.3846

631.3864

[M-H]

455.3292 [M-H-C6H8O6]

43

24.15

C41H66O11

Oleanolic acid 3-O-α-L-arabinopyranoside, 28-O-α-L-rhamnopyranosyl ester

or β-Hederin

2.32

733.4527

733.4544

[M-H]

587.4001 [M-H-C6H10O4]

455.3547 [M-H-C11H18O8]