Table 1.
Characterization of constituents in DBT extract (S01) by UHPLC-QTOF MS analysis in negative ion mode.
| Peak No. | RT (min) | Proposed molecular formula | Experimental m/z | Calculated m/z | Error (ppm) | Identification | (−) ESI-MS/MS m/z |
|---|---|---|---|---|---|---|---|
| 1 | 3.740 | C12H22O11 | 341.1092 [M-H]− | 341.1089 | −0.77 | Sucrose | 59.0118, 89.0221, 101.0238 |
| 2 | 4.329 | C7H10O5 | 173.0449 [M-H]− | 173.0455 | 3.72 | Shikimic acid | 93.0355, 43.0190, 65.0386, 55.0190 |
| 3 | 4.623 | C4H6O5 | 133.0139 [M-H]− | 133.0142 | 2.59 | Malic acid | 43.0179, 71.0111 |
| 4 | 6.683 | C4H6O4 | 117.0190 [M-H]− | 117.0193 | 2.81 | Succinic acid | 99.0015, 73.0295 |
| 5 | 6.983 | C6H10O5 | 161.0451 [M-H]− | 161.0455 | 2.76 | — | 99.0417, 57.0351 |
| 6 | 8.512 | C7H6O5 | 169.0138 [M-H]− | 169.0142 | 2.63 | Gallic acid | 125.0238, 79.0169, 51.0253 |
| 7 | 12.384 | C15H14O7 | 305.0665 [M-H]− | 305.0667 | 0.58 | Epigallocatechin | 179.0453, 165.0099, 137.0229, 125.0238 |
| 8 | 13.199 | C30H26O13 | 593.1287 [M-H]− | 593.1301 | 2.30 | Kaempferol-3-O-β-D-galactoside | 467.0886, 407.0725, 289.0659, 177.0178, 125.0215 |
| 9 | 13.913 | C7H6O4 | 153.0188 [M-H]− | 153.0193 | 3.46 | Protocatechuic acid | 109.0286 |
| 10 | 14.320 | C30H26O13 | 593.1290 [M-H]− | 593.1301 | 1.79 | Kaempferol-3-O-β-D-glucoside | 423.0497, 201.0583, 179.0315, 125.0226 |
| 11 | 16.358 | C8H14O6 | 205.0717 [M-H]− | 205.0718 | 0.30 | — | 143.0747, 115.0731 |
| 12 | 17.471 | C30H26O12 | 577.1347 [M-H]− | 577.1351 | 0.78 | Catechin dimers | 407.0769, 289.0701, 245.0791, 161.0207, 125.0229 |
| 13 | 18.091 | C30H26O12 | 577.1342 [M-H]− | 577.1351 | 1.64 | Catechin dimers | 407.0769, 289.0701, 245.0791, 161.0207, 125.0229 |
| 14 | 18.702 | C45H38018 | 865.1961 [M-H]− | 865.1985 | 2.81 | Catechin trimers | 407.0807, 289.0719, 125.0198 |
| 15 | 19.721 | C15H14O6 | 289.0724 [M-H]− | 289.0718 | −2.20 | Catechin | 151.0368, 137.0241, 123.0429, 109.0289, 97.0289, 57.0348 |
| 16 | 20.944 | C11H12O6 | 239.0560 [M-H]− | 239.0561 | 0.47 | — | 177.0522, 149.0541,107.0485 |
| 17 | 22.778 | C30H26O11 | 561.1392 [M-H]− | 561.1402 | 1.84 | Catechin dimers | 407.0718, 289.0714, 245.0802, 125.0252 |
| 18 | 24.204 | C15H14O6 | 289.0720 [M-H]− | 289.0718 | −0.82 | Epicatechin | 159.0424, 137.0229, 123.0448, 109.0298, 57.0344 |
| 19 | 27.669 | C21H20O13 | 479.0830 [M-H]− | 479.0831 | 0.24 | Myricetin 3-O-galactoside | 316.0189, 271.0220 |
| 20 | 27.975 | C21H20O13 | 479.0826 [M-H]− | 479.0831 | 1.07 | Myricetin 3-O-gluctoside | 316.0162 |
| 21 | 28.586 | C30H26O11 | 561.1389 [M-H]− | 561.1402 | 2.38 | Catechin dimers | 289.0685, 245.0884, 125.0212 |
| 22 | 30.239 | C16H16O7 | 319.0829 [M-H]− | 319.0823 | −1.79 | — | 225.1468, 194.1215,119.0630 |
| 23 | 30.726 | C21H20O12 | 463.0880 [M-H]− | 463.0882 | 0.43 | Hyperoside | 316.0202, 271.0249,214.0204 |
| 24 | 31.134 | C21H20O12 | 463.0876 [M-H]− | 463.0882 | 1.29 | Isoquercitrin | 316.0226, 271.0229, 242.0167 |
| 25 | 33.477 | C14H12O4 | 243.0662 [M-H]− | 243.0663 | 0.34 | 9,10-Dihydro-2,3,5,7-phenanthrenetetraol | 226.0637, 213.0554, 197.0576, 173.0587, 159.0439 |
| 26 | 33.885 | C17H14O7 | 329.0667 [M-H]− | 329.0667 | −0.07 | Caryatin | 271.0227, 199.0380, 107.0118 |
| 27 | 35.210 | C14H10O4 | 241.0506 [M-H]− | 241.0506 | 0.13 | 2,4,5,6-Phenanthrenetetrol | 213.0500, 196.0474, 167.0397, 151.0491 |
| 28 | 35.923 | C19H20O7 | 359.1133 [M-H]− | 359.1136 | 0.91 | Diosbulbin M | 179.0905, 139.0762, 109.0277 |
| 29 | 36.636 | C15H10O8 | 317.0301 [M-H]− | 317.0303 | 0.60 | Myricetin | 179.0028, 151.0025, 137.0234, 107.0134 |
| 30 | 37.248 | C19H22O7 | 361.1286 [M-H]− | 361.1293 | 1.87 | Diosbulbin L | 327.1255, 299.1317, 261.1101, 152.0473, 109.0270 |
| 31 | 37.553 | C17H14O6 | 313.0713 [M-H]− | 313.0718 | 1.47 | 3,5-Dimethoxykaempferol | 298.0446, 270.0563, 255.0236, 241.0492, 151.0057 |
| 32 | 37.961 | C19H22O7 | 361.1286 [M-H]− | 361.1293 | 1.87 | Diosbulbin C | 315.1295, 262.1131, 175.1128,123.0821 |
| 33 | 38.267 | C18H16O7 | 343.0808 [M-H]− | 343.0823 | 4.44 | 3,5,3'-Trimethoxyquercein | 285.0336, 270.0123, 257.0403 |
| 34 | 38.267 | C28H20O8 | 483.1069 [M-H]− | 483.1085 | 3.39 | — | 255.0717, 241.0513, 211.0389 |
| 35 | 39.039 | C19H22O6 | 391.1412 [M + COOH]− | 391.1398 | 2.64 | Diosbulbin G | 368.1226, 270.0113, 240.0419 |
| 36 | 42.139 | C15H10O7 | 301.0349 [M-H]− | 301.0354 | 1.58 | Quercetin | 273.0421, 151.0020, 121.0272 |
| 37 | 42.954 | C19H20O6 | 343.1179 [M-H]− | 343.1187 | 2.36 | Diosbulbin D | 299.1292, 271.1340, 255.1304, 161.0961 |
| 38(*) | 43.747 | C19H20O6 | 389.1255 [M + COOH]− | 389.1242 | −3.80 | Diosbulbin B | 343.1139, 316.1432, 299.1255, 259.1026, 122.1503 |
| 39(*) | 44.493 | C21H24O7 | 423.1234 [M + Cl]− | 423.1216 | −4.63 | 8-Epidiosbulbin E acetate | 377.2653, 232.0370, 174.0621 |
| 40 | 47.234 | C15H10O6 | 285.0407 [M-H]− | 285.0405 | −0.83 | Kaempferol | 239.0308, 155.0483, 93.0326 |
*HEMCs.