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Table 2 The flavonoids identified in the MGF, MGF SA and MIX

From: Decoction regulating phytochemicals’ micromorphology changes and anti-inflammation activity enhancements originated from herb medicine supermolecules

NO

tR (min)

Compound

Formula

Precursor ion

Fragment ion (m/z)

Source

MGF(Q)/MGF SA(T)/MIX(X)

Identity

Theoretical (m/z)

Experimental (m/z)

Mass accuracy (Δppm)

F1/F2

0.80

Epicatechin/catechin

C15H14O6

[M−H]

289.0706

289.0715

2.99

151.6712, 137.0234

Q/T/X

F3

3.61

Vestitol

C16H16O4

[M+H]+

273.1121

273.1117

− 1.63

243.8780, 123.0553

Q/T/X

F4

5.67

Herbacetin

C15H10O7

[M+H]+

303.0499

303.0493

− 0.57

195.0912

Q/T/X

F5

5.88

Rutin

C27H30O16

[M+H]+

611.1606

611.1601

− 1.93

303.1339

Q/T/X

F6

6.38

Vicenin II

C27H30O15

[M+H]+

595.1657

595.1650

− 1.18

271.0952

Q/T/X

F7

6.86

Echinatin

C16H14O4

[M+H]+

271.0964

271.0968

0.31

239.1277, 151.1116

Q/T/X

F8

7.04

Schaftoside

C26H28O14

[M−H]

563.1395

563.1377

− 3.25

431.1900, 401.1455, 268.8465

Q/T/X

F9

7.08

Daidzein

C15H10O4

[M+H]+

255.0651

255.0649

− 1.11

137.0231

Q/T/X

F10

7.34

Kumatakenin

C17H14O6

[M+H]+

315.0863

315.0860

− 0.71

167.0127

Q/T/X

F11/F12

7.39

Quercetin 3-O-galactoside/herbacetin 7-glucoside

C21H20O12

[M+H]+

465.1027

465.1025

− 0.52

303.0495

Q/T/X

F13

7.66

Apigenin 7-O-glucoside

C21H20O10

[M+H]+

433.1129

433.1113

− 3.54

271.0590

Q/T/X

F14/F15

7.69

Liquiritigenin/Isoliquiritigenin

C15H12O4

[M+H]+

257.0808

257.0802

− 0.54

137.0229, 123.0435

Q/T/X

F16

7.72

Isovitexin2-O-rhamnoside

C27H30O14

[M−H]

577.1551

577.1534

− 3.01

413.0857, 395.0730, 293.0441

Q/T/X

F17/F18

7.76

Violanthin/isoviolanthin

C27H30O14

[M+H]+

579.1708

579.1701

− 1.26

433.1123, 271.0789

Q/T/X

F19

7.81

Calycosin

C16H12O5

[M+H]+

285.0757

285.0755

− 0.66

269.0440

Q/T/X

F20

7.81

Licoflavone A

C20H18O4

[M+H]+

323.1277

323.1280

0.23

205.0856, 163.0383, 161.0023

Q/T/X

F21

7.93

Naringenin

C15H12O5

[M+H]+

273.0757

273.0756

− 0.13

123.0439

Q/T/X

F22

7.95

Kaempferol

C15H10O6

[M+H]+

287.0550

287.0549

− 0.05

137.0230

Q/T/X

F23

8.03

Licochalcoe B

C16H14O5

[M+H]+

287.0914

287.0902

− 1.19

193.0849, 167.1064

Q/T/X

F24

8.04

Isoliquiritin apioside

C26H30O13

[M−H]

549.1602

549.1586

− 1.69

417.1192, 255.0661

Q/T/X

F25

8.99

Hesperidin

C28H34O15

[M−H]

609.1813

609.1799

− 1.40

463.2561, 445.0788, 283.0615

Q/T/X

F26

9.68

Liquiritin apioside

C26H30O13

[M+H]+

551.1759

551.1747

− 1.17

419.1331

Q/T/X

F27

9.86

Swertisin

C22H22O10

[M+H]+

447.1285

447.1281

− 0.46

329.1204, 242.1745

Q/T/X

F28

9.94

Liquiritin

C21H22O9

[M+H]+

419.1336

419.1324

− 2.88

257.0798, 239.0695, 211.0746, 137.0229

Q/T/X

F29

9.98

Ononin

C22H22O9

[M+H]+

431.1336

431.1326

− 2.38

269.0801

Q/T/X

F30

9.98

Formononetin

C16H12O4

[M+H]+

269.0808

269.0800

− 2.80

254.0557, 226.1584, 213.0910, 137.0230

Q/T/X

F31

10.11

Apigenin

C15H10O5

[M−H]

269.0444

269.0443

− 0.40

241.0254, 176.0345

Q/T/X

F32

10.90

Eurycarpin A

C20H18O5

[M+H]+

339.1227

339.1242

4.45

325.1068, 203.1429, 247.1325

Q/T/X

F33

13.27

Tricin

C17H14O7

[M−H]

329.0655

329.0660

1.30

315.2176

Q/T/X