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Table 2 High resolution mass spectrometry data and elemental composition of Cuscuta-Salvia. (No. 1–14 was under negative ion mode and 15–26 was under positive ion mode)

From: Investigation of the mechanisms and experimental verification of Cuscuta-Salvia in the treatment of polycystic ovary syndrome (PCOS) via network pharmacology

No.

Molecular Name

Molecular Formula

Retention Time (min)

m/z

Measure Molecular Mass (Da)

Molecular Mass (Da)

1

Methyl tanshinate

C20H18O5

1.29

383.1137

338.1155

338.11542

2

Caffeate

C9H8O4

2.48

179.0354

180.0427

180.04226

3

Neocuscuscutosside A

C37H46O21

4.75

871.2478

826.2496

826.25316

4

Cuscutoside A

C31H36O16

5.89

663.1916

664.1989

664.20034

5

Salvianolic acid A

C26H22O10

6.2

539.12

494.1218

494.1213

6

Salvianolic acid D

C20H18O10

6.54

463.0889

418.0907

418.09

7

Miltionone II

C19H20O4

6.96

357.134

312.1358

312.13616

8

Danshensu

C9H10O5

7.24

197.046

198.0533

198.05282

9

Isoimperatorin

C16H14O4

7.51

269.085

270.0923

270.08921

10

Tanshinone IIA

C19H18O3

7.87

339.1273

294.1291

294.12559

11

Isotanshinone I

C18H12O3

8.13

311.0488

276.0794

276.07864

12

dan-shexinkum d

C20H18O4

10.2

371.108

336.1386

336.13616

13

Danshinspiroketallactone

C18H22O3

11.21

331.1562

286.158

286.15689

14

Methylenedihydrotanshin-quinone

C18H16O3

11.22

325.1086

280.1104

280.10994

15

Protocatechualdehyde

C7H6O3

2.5

139.0393

138.0321

138.03169

16

Hydroxytanshinone IIA

C19H18O4

5.89

333.1086

310.1194

310.12051

17

Quercetin-3-O-β-D-gluco-pyranoside

C21H20O12

6.23

465.1032

464.0959

464.09548

18

Quercetin

C15H10O7

6.54

303.0502

302.0429

302.04265

19

Kaempferol

C15H10O6

7.09

287.0555

286.0482

286.04774

20

Lithospermic acid B

C36H30O16

7.24

736.1883

718.1545

718.15338

21

Salvianolic acid G

C26H22O10

7.52

341.0662

340.0589

340.0583

22

Prolithospermic acid

C27H22O12

7.83

539.1203

538.113

538.11113

23

15, 16-dihydrotanshinone I

C18H14O3

12.67

279.1009

278.0936

278.09429

24

Tanshinone IIB

C19H18O4

14.11

297.1488

296.1415

296.14124

25

Cryptotanshinone

C19H20O3

15.13

297.1491

296.1418

296.14124

26

Isocryptotanshi-none

C19H20O3

13.18

297.1492

296.1419

296.14124