Table 1.
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.
The structure was identified by NMR.
Identified based on the published literature.
Verified by reference standards.