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Table 1 Components identified in sulfur-fumigated and air-dried Jiegeng samples

From: Influence of sulfur fumigation on glycoside profile in Platycodonis Radix (Jiegeng)

No.

Compound name

Formula

RT (min)

[M+H]+ mass accuracy (ppm)

[M–H] mass accuracy (ppm)

Positive ions [M+H]+ and proposed CID fragment ions

Negative ions [M–H] and proposed CID fragment ions

Ref.

1a

Syringin

C17H24O9

2.725

3.33

395.1300 [M+Na]+

233.0841 [M+Na−C6H10O5]+

 

2a

Lobetyolin

C20H28O8

8.872

−0.55

1.88

419.1664 [M+Na]+

257.1205 [M+Na−C6H10O5]+

203.0575 [C6H12O6Na]+

441.1756 [M+HCOO]

305.1301 [M−H−C7H6]

215.1107 [M−H−C6H12O6]

179.0565 [C6H11O6]

 

3

Platycoside G1 (Deapio−platycoside E)

C64H104O34

9.745

5.20

1.20

1417.6425 [M+H]+

503.3338 [C30H47O6]+

485.3247 [C30H45O5]+

1415.6327 [M–H]

1283.5692 [M−H−C5H8O4]

1005.4907 [M−H−C16H26O12]

519.3385 [C30H47O7]

[11]

4

Platycoside E

C69H112O38

9.922

1.63

1547.6719 [M−H]

1415.6044 [M−H−C5H8O4]

1283.5692 [M−H−(C5H8O4)2]

1005.4878 [M−H−C21H34O16]

[11]

5

Platycogenin A

C42H68O16

10.661

0.60

827.4433 [M−H]

665.3907 [M−H−C6H10O5]

[27]

6

Platycoside A (Deapio−platycodin D2)

C58H94O29

13.902

4.70

1255.5890 [M+H]+

1123.5478 [M+H−C5H8O4]+

961.5037 [M+H−C11H18O9]+

799.4424 [M+H−C17H28O14]+

[28]

7

Platycodin D3

C63H102O33

14.291

6.00

−0.18

1409.6130 [M+Na]+

867.4480 [M+Na−C21H34O16]+

1385.6239 [M−H]

1253.5975 [M−H−C5H8O4]

843.4433 [M−H−C21H34O16]

[11, 29]

8a

Deapio−platycodin D

C52H84O24

19.323

3.70

1.31

1093.5400 [M+H]+

961.4949 [M+H−C5H8O4]+

799.4453 [M+H−C11H18O9]+

683.3975 [M+H−C16H26O12]+

521.3406 [M+H−C16H26O12−C6H10O5]+

1091.5268 [M−H]

959.4430 [M−H−C5H8O4]

681.3620 [M−H−C16H26O12]

[11]

9a

Platycodin D2

C63H102O33

19.829

−0.74

1385.6247 [M–H]

843.4439 [M–H−C21H34O16]

[30]

10a

Platycodin D

C57H92O28

19.946

4.90

1.16

1247.5620 [M+Na]+

705.3831 [M+Na–C21H34O16]+

1223.5669 [M−H]

681.3806 [M−H−C21H34O16]

[11]

11

3″–O-Acetylplatycodin D2

C65H104O34

20.088

4.70

2.22

1451.6250 [M+Na]+

867.4011 [M+Na −C23H36O17]+

1427.6282 [M−H]

1295.5884 [M−H−C5H8O4]

843.4379 [M−H−C23H36O17]

663.3800 [M−H−C23H36O17–C6H12O6]

[29]

12

Polygalacin D2

C63H102O32

20.123

0.43

1369.6281 [M–H]

1237.5581 [M–H−C5H8O4]

827.4438 [M–H−C21H34O16]

647.3782 [M–H−C21H34O16–C6H12O6]

541.1819 [C21H33O16]

[29]

13

Polygalacin D

C57H92O27

20.510

1.36

1207.5738 [M–H]

665.3726 [M–H−C21H34O16]

541.1728 [C21H33O16]

[11]

14

Platycodin C (3″-O-Acetylplatycodin D)

C59H94O29

20.344

4.30

4.64

1289.5730 [M+Na]+

705.3770 [M+Na–C23H36O17]+

1265.5720 [M–H]

1133.5398 [M–H−C5H8O4]

681.3842 [M–H−C23H36O17]

[29]

15

3″-O-Acetylpolygalacin D2

C65H104O33

20.723

4.30

1.25

1435.6290 [M+H]+

851.4342 [M+Na–C23H36O17]+

1411.6328 [M–H]

1279.6025 [M–H−C5H8O4]

827.4424 [M–H−C23H36O17]

665.3885 [C36H57O11]

541.1741 [C21H33O16]

469.1550 [C18H29O14]

[29]

16

3″-O-Acetylpolygalacin D

C59H94O28

21.054

4.60

−0.14

1273.5780 [M+Na]+

689.3757 [M+Na–C23H36O17]+

1249.5866 [M–H]

1117.5502 [M–H−C5H8O4]

665.3916 [M–H−C23H36O17]

469.1554 [C18H29O14]

[11]

17a/17b

Platycogenic acid A/platycogenic acid B

C30H46O8

21.166

1.60

535.3255 [M+H]+

517.3143 [M+H−H2O]+

499.3056 [M+H−(H2O)2]+

481.2688 [M+H−(H2O)3]+

[31]

18

Platycoside C

C54H86O25

21.373

4.40

1.50

1135.5480 [M+H]+

1003.5055 [M+H−C5H8O4]+

841.4540 [M+H−C5H8O4–C6H10O5]+

683.3916 [M+H−C18H28O13]+

521.3454 [M+H−C18H28O13–C6H10O5]+

1133.5336 [M–H]

1091.5205 [M–H−C2H2O]

681.3849 [M–H−C18H28O13]

337.0949 [C13H21O10]

[28]

19

16-Oxoplatycodin D

C57H90O28

21.707

1.21

1221.5531 [M–H]

811.1198 [M–H−C16H26O12]

635.3855 [M–H−C22H34O18]

541.1765 [C21H33O16]

409.1354 [C16H25O12]

[14]

20

Platycodin V

(2″-O-Acetylplatycodin D2)

C65H104O34

21.838

5.10

−0.68

1451.6213 [M+Na]+

867.4064 [M+Na −C23H36O17]+

1427.6348 [M–H]

843.4372 [M–H−C23H36O17]

663.3670 [M–H−C23H36O17–C6H12O6]

469.1572 [C18H29O14]

[14]

21

Platycodin A (2″-O-Acetylplatycodin D)

C59H94O29

22.048

3.17

1265.5750 [M–H]

1133.5379 [M–H−C5H8O4]

681.3799 [M–H−C23H36O17]

469.1612 [C18H29O14]

[11, 14]

22

2″-O-Acetylpolygalacin D2

C65H104O33

22.335

5.20

1.29

1435.6290 [M+Na]+

851.4097 [M+Na–C23H36O17]+

1411.6374 [M–H]

827.4408 [M–H−C23H36O17]

665.3935 [C36H57O11]

541.1519 [C21H33O16]

469.1606 [C18H29O14]

[29]

23

2″-O-Acetylpolygalacin D

C59H94O28

23.353

0.24

1249.5861 [M–H]

1117.5542 [M–H−C5H8O4]

665.3911 [M–H−C23H36O17]

469.1568 [C18H29O14]

[11]