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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]