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Table 1 Proposed compounds from ESI(−)FT-ICR MS analyzes

From: Anti-Mayaro virus activity of Cassia australis extracts (Fabaceae, Leguminosae)

Suggested compounds

Class of natural product

EtOAc fraction

n-BuOHfraction

EtOAc-Pp

m/z theoretical

m/z measured

Molecular formula (M)

Error (ppm)

DBE

Kaempferol

Flavonol

+

-

+

285.04046

285.04042

C15H10O6

0.41

11

Quercetin

Flavonol

+

-

+

301.03538

301.03538

C15H10O7

0.25

11

Rhamnetin/isorhamnetin

Flavonol

+

 

+

315.05103

315.05098

C16H12O7

0.33

11

Quercetin pentoside

Flavonol Monoglycoside

+

+

+

447.09329

447.10361

C21H20O11

0.38

12

Quercetin hexoside

Flavonol Monoglycoside

+

+

+

463.08820

463.08801

C21H20O12

0.38

12

Tricetin-4′-methoxy-3′-â-D-glucoside1

Flavone Monoglycoside

+

+

+

477.10385

477.10361

C22H22O12

−0.12

12

-

Flavan-3-ol dimer

+

-

+

529.15041

529.15024

C30H26O9

0.51

18

-

Flavan-3-ol dimer

+

-

+

545.14532

545.14519

C30H26O10

 

18

-

Flavan-3-ol dimer

+

-

-

561.14024

561.08601

C30H26O11

0.45

18

 

Flavan-3-ol dimer

+

-

-

591.11441

591.09653

C30H24O13

0.40

19

Vicenin-2 kaempferol diglycoside1

Flavone diglycoside

-

+

+

593.15120

593.15104

C27H30O15

−0.08

13

Quercetin dihexoside

Flavonol diglycoside

-

+

+

609.14611

609.14591

C27H30O16

0.06

13

-

Flavan-3-ol trimer

-

-

+

769.22905

769.22868

C45H38O12

0.08

27

 

Flavan-3-ol trimer

-

-

+

785.22397

785.22349

C45H38O13

0.08

27

  1. 1Purified compounds identified by NMR, DBE - double bond equivalent, + detected, − not detected, Mass error (ppm) = [(m/zmeasured – m/ztheoretical)/m/ztheoretical]*106.