Table 2: LC (+/-) ESI-QTOF-MS/MS data for structural elucidation of phenylethanoid glycosides in B. caroliniana.
Peak |
tR (min) |
Measured mass |
MS/MS |
Molecular formula |
Error (ppm) |
Identified compound |
I |
1.69 |
623.1987 [M-H]- |
461.16,315.11,161.02 |
C29H36O15 |
-0.89 |
Acteoside |
|
|
647.2050 [M + Na]+ |
501.14,163.04,85.03 |
|
-16.00 |
|
II |
2.11 |
623.1996 [M-H]- |
461.15,315.10,161.02 |
C29H36O15 |
-2.34 |
Isoacteoside |
|
|
647.206 [M + Na]+ |
501.14 |
|
-17.55 |
|
III |
2.25 |
665.2100 [M-H]- |
461.15,315.10,161.02 |
C31H38O16 |
-1.94 |
2´Acetylacteoside |
|
|
689.2176 [M + Na]+ |
543.15 |
|
-18.00 |
|
IV |
2.42 |
665.2101 [M-H]- |
461.16,315.10,161.02 |
C31H38O16 |
-2.09 |
2´Acetyl isoacteoside |
|
|
689.2176 [M + Na]+ |
543.15 |
|
-18.00 |
|