Table 1 LC–MS/MS of all identified compounds from B. indica aerial parts n-BuOH frac

1

C₃₇H₅₈O₉

m/z 646

10.51

647.41535

647[M + H]⁺, 669[M + Na]⁺, 453(M–H–GlcUAp)⁺, 425(M–CO–H–GlcUAp)⁺

645[M–H]^–, 631[M–15]^–

2

C₄₂H₆₆O₁₄

m/z 794

7.98

795.45253

795[M + H]⁺, 817[M + Na]⁺, 633(M + H–Glc)⁺, 439(OA–OH)⁺, 421(OA–2H₂O)⁺

793[M–H]^–

3

C₄₃H₆₈O₁₄

m/z 808

8.10

809.46818

809[M + H]⁺, 831[M + Na]⁺, 629(M-Glc)⁺, 425(M + 3H–179–207)⁺, 407(M–179–207–15)⁺

807[M–H]^–

4

C₄₇H₇₄O₁₈

m/z 926

9.96

927.49476

927[M + H]⁺, 949[M + Na]⁺, 439(M–Glc–GlcUAp–Xyl)⁺, 439 (OA–OH)⁺

925[M–H]^–

5

C₄₈H₇₆O₁₈

m/z 940

11.37

939.49479

–

939[M–H]⁻, 864(M–75)^–, 761(M–H–179)^–, 492(M–H–OA–2H₂O)^–, 178(Glc)^–

6

C₄₁H₆₄O₁₃

m/z 764

13.51

765.44196

765[M + H]⁺, 787[M + Na]⁺, 439(M–Glc–Xyl), 439(OA–OH)⁺

763[M–H]^–

7

C₄₂H₆₆O₁₃

m/z 778

9.02

777.44196

–

777[M–H]^–

8

C₄₇H₇₀O₂₀

m/z 954

9.63

955.45332

955[M + H]⁺, 977[M + Na]⁺, 747(M–Glc-CO), 439(M–Glc–S + OH)⁺, 439(OA–OH)⁺, 393(M–Glc–GlcUAp–S–CO)⁺, 247(S + CO₂)⁺

953[M–H]^– 925(M–H–CO₂)^–

9

C₄₁H₆₀O₁₅

m/z 792

11.19

793.40049

793[M + H]⁺, 815[M + Na]⁺, 653(M + Na-S)⁺, 455(M–GlcUAp–S)⁺, 437(M–GlcUAp–S–H₂O)⁺

791[M–H]^–, 629(M–H–S)^–

10

C₄₁H₆₂O₁₅

m/z 794

9.82

795.41615

795[M + H]⁺, 817[M + Na]⁺, 439[OA-OH]⁺, 393(OA–OH–COOH)⁺, 191(GlcUAp–2H)⁺

793[M–H]^–

11

C₄₆H₇₀O₁₈

m/z 910

9.17

911.46349

911[M + H]⁺, 933[M + Na]⁺, 749(M–Glc + H₂O)⁺, 453(M–Glc–GlcUAp–Xylp + 31)⁺, 423(M–Glc–GlcUAp–Xylp + OH)⁺

909[M–H]^–

12

C₄₂H₆₂O₁₅

m/z 806

12.38

805.40049

–

805[M–H]^–

13

C₄₂H₆₄O₁₆

m/z 824

8.88

825.42671

825[M + H]⁺, 847[M + Na]⁺,

781(M-CO₂)⁺, 423(M–2GlcUAp–CH₂OH)⁺

823[M–H]^–

14

C₂₂H₂₆O₈

m/z 418

27.12

419.17004

419[M + H]⁺, 441[M + Na]⁺

387(M–OCH₃)⁺, 275(M–DMPh + 2H)⁺, 153(DMPh)⁺

–

15

C₂₅H₂₄O₁₂

m/z 516

6.59

517.13405

517[M + H]⁺, 539[M + Na]⁺

499(M–OH)⁺, 337(M–caffeoyl)⁺, 291(M–caffeoyl–CO₂)⁺, 163(caffeic acid–OH)⁺

515[M–H]^–

16

C₂₅H₂₆O₁₂

m/z 518

6.73

519.14970

519[M + H]⁺, 541[M + Na]⁺

357(M + H–caffeoyl)⁺, 163(caffeic acid–OH)⁺

517[M–H]^–

17

C₂₉H₃₂O₁₂

m/z 572

14.89

573.19665

573[M + H]⁺, 555(M–OH)⁺, 433(M–VHPh–OH)⁺, 335(M–Bu–caffeoyl)⁺, 256(M + H–VHPh–caffeoyl)⁺

571[M–H]^–

18

C₃₅H₂₈O₂₂

m/z 800

12.12

801.11449

801[M + H]⁺, 823[M + Na]⁺, 705(4 G + CO₂H)⁺, 321(2 G)⁺, 185(G + OH)⁺

799[M–H]^–

19

C₃₇H₃₈O₂₀

m/z 802

24.82

803.20291

803[M + H]⁺, 430(M–Glc–feruloyl)⁺

801[M–H]^–