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. 2020 Apr 18;10(10):1846–1855. doi: 10.1016/j.apsb.2020.04.001

Table 1.

MS/MS data and identification of 24 active peaks of n-butanol extract of D. indica obtained by ligand fishing (SM-S10).

Peak tR (min) Measured m/z ([M–H]) Δ(ppm) Formula MS/MS spectra Identification
Ellagitannins
B1 24.29 783.0679 −0.2 C34H24O22 275.0191 (92)
300.9988 (227)
481.0620 (35)
Bis-HHDP-glucoseb
B2 26.27 633.0733 0.1 C27H22O18 300.9988 (2746)
275.0191 (462)
463.0498 (253)
169.0135 (225)
481.0620 (230)
Galloyl-HHDP- glucoseb
B3 27.55 633.0733 −0.2 C27H22O18 300.9990 (3568)
275.0200 (664)
Sanguiin H-4
B4 33.66 633.0733 0.6 C27H22O18 300.9996 (3006)
275.0207 (277)
463.0533 (175)
Strictinina
B5 34.78 635.0890 0.3 C27H24O18 465.0668 (1753)
169.0140 (1570)
313.0564 (1248)
421.0774 (192)
295.0455 (175)
483.0784 (150)
Trigalloyl-glucose isomer 1b
B6 36.64 785.0836 0.6 C34H26O22 300.9988 (409)
275.0197 (112)
249.0402 (82)
483.0767 (57)
Bis-galloyl-HHDP-glucoseb
B7 38.03 483.0772 −0.7 C20H20O14 271.0453 (337)
169.0139 (272)
211.0250 (115)
313.0565 (112)
331.0671 (65)
125.0242 (45)
Bis-galloyl-glucoseb
B8 41.38 935.0800 0.4 C41H28O26 300.9991 (175)
633.0733 (169)
Galloyl-bis-HHDP-glucoseb
B9 44.15 635.0887 −0.5 C27H24O18 465.0670 (1792)
169.0138 (150)
313.0559 (137)
Trigalloyl-glucose isomer 2b
B11 48.99 635.0887 −0.6 C27H24O18 169.0140 (425)
465.0676 (374)
313.0564 (240)
483.0770 (135)
423.0556 (75)
211.0244 (65)
Trigalloyl-glucose isomer 3b
B12 49.38 787.0998 −0.8 C34H28O22 617.0782 (903)
465.0667 (551)
169.0143 (281)
635.0880 (162)
447.0569 (131)
573.0864 (106)
Tetragalloyl-glucose isomer 1b
B14 51.68 787.0998 −0.4 C34H28O22 617.0776 (986)
169.0133 (83)
449.0732 (83)
465.0671 (75)
Tetragalloyl-glucose isomer 2b
Brevifolin and its derivatives
B10 48.51 291.0146 −1.5 C13H8O8 191.0348 (2025)
145.0299 (966)
219.0301(915)
Brevifolin carboxylic acida
B15 52.68 305.0303 −1.3 C14H10O8 217.0143 (5447)
273.0040 (5118)
245.0091 (4686)
Methyl brevifolin carboxylatea
B16 53.92 247.0249 −0.9 C12H8O6 191.0352 (2683)
145.0295 (1974)
219.0304(1016)
Brevifolinb
B17 58.98 319.0454 −0.4 C15H12O8 273.0040 (4946)
217.0141 (3974)
245.0091 (3453)
Ethyl brevifolin carboxylateb
Unknown
B13 50.52 444.0575 ND ND 299.0078(453)
309.9986(448)
354.0256(1076)
ND
Flavonoids
B18 60.28 431.0981 −1.3 C21H20O10 311.0557 (3326)
283.0610 (1425)
341.0664 (1304)
Isovitexinc
B19 60.99 447.0926 −0.6 C21H20O11 285.0403(1888)
284.0323(806)
174.9560(237)
Luteolin-7-O-galactosideb
B23 70.83 593.1301 0.2 C30H26O13 147.0441 (3005)
287.0550 (705)
309.0983 (162)
Tilirosidea
B24 71.33 593.1301 −1.0 C30H26O13 147.0441 (2929)
287.0550 (1726)
309.0983 (205)
cis-Tilirosidea
Ellagic acid derivatives
B20 62.32 433.0412 −0.3 C19H14O12 299.9915 (12324)
300.9989 (7285)
4-O-α-l-Arabinofuranoside Ellagic acida
B21 65.66 300.9990 −0.6 C14H6O8 Ellagic acida
B22 68.52 447.0569 −0.2 C20H16O12 315.0143 (670)
284.0320 (538)
299.9911 (463)
Ducheside Ba

ND, can't be determined based on current MS data.

–, no fragments detected.

a

The structure was identified by NMR.

b

Identified based on the published literature.

c

Verified by reference standards.