Table 3: LC (+/-) ESI-QTOF-MS/MS data for structural elucidation of flavonoids in B. caroliniana.

Peak

tR (min)

Measured mass

MS/MS

Molecular formula

Error

(ppm)

Identified compound

a

4.57

285.0415 [M-H]-

133.02

C15H10O6

6.88

Luteolin

 

 

287.0607 [M + H]+

153.02

 

 

 

b

5.57

375.073 [M-H]-

360.04,345.02,246.01,218.02

C18H16O9

2.00

Limocitrol

c

7.08

269.0463 [M-H]-

117.03

C15H10O5

7.24

Apigenin

d

7.85

299.0577 [M-H]-

284.03,256.03,

227.03

C16H12O6

-5.31

Diosmetin

e

10.06

389.0885 [M-H]-

374.05,359.03

C19H18O9

 

-1.78

Trihydroxy tetramethoxy-flavonoid

f

12.01

359.0779 [M-H]-

344.04,329.02

C18H16O8

-1.84

Trihydroxy trimethoxy-flavonoid

g

16.45

373.0941 [M-H]-

358.06,343.03

C19H18O8

-3.24

Dihydroxy-tetramethoxy

flavonoid

h

17.58

373.094 [M-H]-

358.06,343.04

C19H18O8

-2.97

Dihydroxy tetramethoxy

flavonoid

i

17.83

403.1052 [M-H]-

388.07,373.04

C20H20O9

-4.33

Dihydroxy pentamethoxy flavonoid

 

 

405.1261 [M+ H]+

390.09,375.07

 

-20.00

 

 

 

 

 

 

 

 

*

20.69

799.2355 [2M + Na]+

411.11

 

 

Unidentified

*

21.40

859.2577 [2M + Na]+

441.12

 

 

Unidentified

*

21.90

1083.731 [2M + Na]+

533.36

 

 

Unidentified