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Table 5 [M-H]−,MS2, MS3, and MS4 data of acylated-di-C-glycosyl flavones, when the position of acylation is set to 6″-O in the sugar in Flickingeria fimbriata

From: Identification of C-glycosyl flavones by high performance liquid chromatography electrospray ionization mass spectrometry and quantification of five main C-glycosyl flavones in Flickingeria fimbriata

Peak No.

Rt (min)

Compounds

Molecular formula

[M-H]− (m/z)

MS2 (m/z)

MS3 (m/z)

MS4 (m/z)

− 120

− 90

− 60

-Acyla

-Acidb

-Acylhexosec

[Ag-H+84]−

[Ag-H+114]−

[Ag-H+56]−

[Ag-H+28]−

17

54.13

Apig-6-C-(6″-O-fer)-β-d-glu-8-C-β-d-xyl

C36H36O17

739

618 (1)

649 (1.6)

679 (4)

563 (100)

545 (12)

443 (1)

353 (13)

383 (35)

–

–

16

53.83

Apig-6-C-β-d-glu-8-C-(6″-O-fer)-β-d-glu

C37H38O18

769

649 (100)

679 (56)

709 (5)

593 (17)

575 (35)

473 (32)

353 (100)

383 (14)

325 (86)

297 (100)

22

61.74

Apig-6-C-β-d-glu-8-C-(6″-O-3,4-dim)-β-d-glu

C38H40O18

783

663 (100)

–

723 (5)

–

575 (91)

473 (48)

353 (100)

383 (17)

325 (36)

297 (100)

23

63.60

Apig-6-C-β-d-glu-8-C-(6″-O-3,4,5-trim)-β-d-glu

C39H42O19

813

693 (100)

723 (50)

753 (1)

–

575 (79)

473 (36)

353 (100)

383 (11)

–

–

18

56.89

Apig-6-C-α-l-ara-8-C-(6″-O-ρ-coum)β-d-glu

C35H34O16

709

–

619 (100)

649 (54)

563 (9)

545 (12)

443 (11)

353 (100)

383 (36)

325 (30)

297 (100)

20

57.93

Apig-6-C-α-l-ara-8-C-(6″-O-fer)-β-d-glu

C36H36O17

739

–

649 (100)

679 (69)

563 (11)

545 (1.5)

443 (19)

353 (100)

383 (16)

325 (59)

297 (100)

26

65.01

Apig-6-C-β-d-xyl-8-C-(6″-O-3,4-dim)-β-d-glu

C37H38O17

753

–

663 (100)

693 (70)

–

545 (75)

443 (33)

353 (100)

383 (16)

325 (58)

297 (100)

28

66.97

Apig-6-C-β-d-xyl-8-C-(6″-O-3,4,5-trim)-β-d-glu

C38H40O18

783

–

693 (100)

723 (69)

–

545 (68)

443 (30)

353 (67)

383 (2)

325 (2)

–

29

67.24

Apig-6-C-α-l-ara-8-C-(6″-O-3,4-dim)-β-d-glu

C37H38O17

753

–

663 (100)

693 (70)

–

545 (95)

443 (91)

353 (100)

383 (9)

325 (100)

297 (92)

30

69.04

Apig-6-C-α-l-ara-8-C-(6″-O-3,4,5-trim)-β-d-glu

C38H40O18

783

–

693 (100)

723 (58)

–

545 (74)

443 (30)

353 (100)

383 (32)

325 (99)

297 (100)

25

64.79

Chrys-6-C-β-d-xyl-8-C-(6″-O-3,4-dim)-β-d-glu

C38H40O18

783

–

693 (79)

723 (49)

–

575 (72)

473 (100)

383 (100)

413 (44)

355 (37)

327 (8)

27

66.52

Chrys-6-C-β-d-xyl-8-C-(6″-O-3,4,5-trim)-β-d-glu

C38H40O18

813

–

723 (76)

753 (55)

–

575 (71)

473 (100)

383 (100)

413 (36)

355 (33)

327 (2.4)

  1. Main observed fragments. Other ions were found, but they have not been included
  2. Apig, Apigenin; Chrys, Chrysoeriol; glu, glucoside; ara, arabinoside; xyl, xyloside; ρ-coum, ρ-coumaroyl; fer, feruloyl; 3,4-dim, 3,4-dimethoxycinnamoyl; 3,4,5-trim, 3,4,5-trimethoxycinnamoyl
  3. a-Acyl: ρ-coumaroyl (− 146 Da); feruloyl (− 176 Da)
  4. b-Acid: ρ-coumaric acid (− 164 Da); ferulic acid (− 194 Da); 3,4-dimethoxycinnamoyl acid (− 208 Da); 3,4,5-trimethoxycinnamoyl acid (− 238 Da)
  5. c-Acylhexose: ρ-coumaroylhexose (− 266 Da); feruloylhexose (− 296 Da); 3,4-dimethoxycinnamoylhexose (− 310 Da); 3,4,5-trimethoxycinnamoylhexose (− 340 Da)
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BMC Chemistry

ISSN: 2661-801X

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