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