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