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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