Table 1: LC (+/-) ESI-QTOF-MS/MS data for structural elucidation of triterpenoid saponins in B. caroliniana.
Peak |
tR (min) |
Measured mass |
MS/MS |
Molecular formula |
Error (ppm) |
Identified compound |
1 |
12.11 |
951.5094 [M + Na]+ |
617.41,455.36 |
C47H76O18 |
-17.90 |
Bacoside A3 |
2 |
12.58 |
943.4914 [M + HCOO]- |
897.47,735.42,603.37 |
C46H74O17 |
-0.63 |
Bacopaside X |
|
|
921.5091 [M + Na]+ |
749.46,587.41,455.36 |
|
|
|
3 |
13.01 |
1013.496 [M - H]- |
969.49,927.48,765.42, 633.38 |
C50H78O21 |
0.28 |
Bacoside A3 -malonylglycoside |
|
|
1037.5103 [M + Na]+ |
921.49,789.45,541.24, 455.35 |
|
-16.90 |
|
4 |
14.54 |
983.4861 [M - H]- |
939.48,897.47,735.42, 603.37 |
C49H76O20 |
-0.39 |
Bacopaside X malonylglycoside isomer 1 |
|
|
1007.4996 [M + Na]+ |
673.40,455.36 |
|
-17.20 |
|
5 |
14.82 |
983.4866 [M - H]- |
939.48,897.47,735.42,603.38 |
C49H76O20 |
-0.90 |
Bacopaside X malonylglycoside isomer 2 |
|
|
1007.4990 [M + Na]+ |
835.46,587.40,455.36 |
|
-16.70 |
|
6 |
15.85 |
1069.4865 [M - H]- |
981.49,939.48,879.45,735.42, 603.37 |
C52H78O23 |
-0.36 |
Bacopaside X dimalonyl glycoside |
|
|
1093.5012 [M + Na]+ |
455.36 |
|
-17.00 |
|
7 |
19.44 |
487.344 [M - H]- |
469.33.443.35 |
C30H48O5 |
-2.26 |
Centellasapogenol A |
|
|
511.3487 [M + Na]+ |
467.35 |
|
-18.20 |
|
8 |
20.51 |
487.3438 [M - H]- |
469.32,425.33 |
C30H48O5 |
-1.85 |
Centellasapogenol A |
|
|
511.3468 [M + Na]+ |
467.35 |
|
-14.50 |
|