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