Table 1 Chromatographic and spectrometric characteristics of secondary metabolites identified in H. perforatum by LC(ESI-)HRMS.

From: Antimicrobial Photoinactivation Using Visible Light Plus Water-Filtered Infrared-A (VIS + wIRA) and Hypericum Perforatum Modifies In Situ Oral Biofilms

No

Rt (min)

EC [M-H]

Experimental

Theoretical

Δm ppm

RDBeq

Identification of compound

[M-H] m/z

1

0.65

C7H11O6

191.0544

191.0561

−8.730

2.5

Quinic acid

2

6.14

C16H17O9

353.0835

353.0819

−12.363

8.5

Chlorogenic acid

3

7.60

C17H19O9

367.0990

367.0976

−12.137

8.5

3-O-Feruloylquinic acid

4

8.08

C21H19O12

463.0826

463.0823

0.615

12.5

Hyperoside

5

8.16

C21H19O12

463.0828

463.0823

1.077

12.5

Isoquercitrin

6

8.67

C21H19O11

447.0880

447.0874

−12.536

12.5

Isoquercetrin

7

8.72

C21H19O11

447.0877

447.0874

−12.334

12.5

Quercitrin

8

10.09

C15H9O7

301.0319

301.0295

−11.480

11.5

Quercetin

9

10.36

C27H29O16

609.1388

609.1402

−1.965

13.5

Rutin

10

11.41

C30H17O10

537.0762

537.0827

−12.195

22.5

I3,II8 Biapigenin

11

12.04

C30H17O10

537.0757

537.0827

−12.994

22.5

Amentoflavone

12

14.34

C36H27O15

699.1268

699.1355

−12.463

23.5

Skyrin-2-O-glucopyranoside

13

20.37

C30H43O4

467.3113

467.3167

−11.564

9.5

Hyperfirin

14

22.20

C35H51O4

535.3730

535.3793

−11.649

10.5

Hyperforin

15

22.74

C30H15O8

503.0715

503.0714

−11.352

23.5

Hypericin

16

23.27

C30H15O9

519.0661

519.0663

−11.723

23.5

Pseudohypericin