Table 1 Chromatographic and MS data (positive mode) of the constituents identified using our newly developed UPLC-Q-TOF-MS method
R.T. (min) | Mass | Error (ppm) | Fragment ions (m/z) | Molecular formula | Identification | Herbal origin | Confirmed with reference standard | ||
|---|---|---|---|---|---|---|---|---|---|
Observed | Calculated | ||||||||
1 | 2.80 | 166.0871 | 166.0863 | 4.8 | 120.0792 [M+H–COOH]+ | C9H11NO2 | l-Phenylalanine | H. diversicolor | Yes |
2 | 7.50 | 291.0862 | 291.0863 | 5.3 | 139.0396 [M+H–C8H7O3]+, 123.0434 [M+H–C8H7O4]+ | C15H14O6 | Catechin | U. rhynchophylla | Yes |
3 | 8.59 | 551.2007 | 551.1970 | 4.3 | 573.2007 [M+Na]+, 227.0753 [M+H–maltose]+ 209.0656 [M+H–maltose–OH]+ | C23H34O15 | Genipin 1-beta-gentiobioside | G. jasminoides | Yes |
4 | 9.30 | 291.0866 | 291.0863 | 1.0 | 139.0381 [M+H–C8H7O3]+, 123.0422 [M+H–C8H7O4]+ | C15H14O6 | Epi-catechin | U. rhynchophylla | Yes |
5 | 9.40 | 389.1452 | 389.1442 | 2.6 | 411.0792 [M+Na]+, 231.0366 [M+H–glucose–2H]+ | C17H24O10 | Geniposide | G. jasminoides | Yes |
6 | 11.2 | 312.1554 | 312.1554 | 1.6 | 181.0498 [M–C5H13N3O], 132.1125 [M+H–C9H9N4O]+ | C14H22N3O5 | Leonurine | L. japonicus | Yes |
7 | 12.3 | 407.1337 | 407.1351 | 3.4 | 245.0768 [M+H–glucose]+ | C20H22O9 | 2 3 5 4′-tetrahydroxystilbene-2-O-β-d-glucoside | P. multiflorum | Yes |
8 | 14.9 | 521.3146 | 521.3109 | 5.2 | 503.2947 [M+H–H2O]+, 485.2896 [M+H–2H2O]+ | C29H44O8 | Cyasteron | C. officinalis | Yes |
9 | 15 | 383.1978 | 383.1965 | 3.4 | 383.1978[M+H]+ | C22H26N2O4 | Corynoxeine | U. rhynchophylla | Yes |
10 | 15.8 | 385.2131 | 385.2122 | 2.3 | 241.1337 | C22H28N2O4 | Isorhynchophylline | U. rhynchophylla | Yes |
11 | 15.9 | 383.1976 | 383.1965 | 2.9 | 383.1976[M+H]+ | C22H26N2O4 | Isocorynoxeine | U. rhynchophylla | Yes |
12 | 16.7 | 447.0944 | 447.0922 | 4.9 | 271.0621 [M+H–glucuronide]+ | C21H18O11 | Baicalin | S. baicalensis | Yes |
13 | 16.9 | 385.2126 | 385.2122 | 1.0 | 353.1854 [M+H–OCH3]+, 160.0754 | C22H28N2O4 | Rhynchophylline | U. rhynchophylla | Yes |
14 | 18.9 | 461.1110 | 461.1078 | 5.1 | 285.0762 [M+H–glucuronide]+, 270.0507 [M+H–glucuronide–CH3]+ | C22H20O11 | OroxylinA-7-O-glucuronide | S. baicalensis | Yes |
15 | 19.6 | 447.0951 | 447.0922 | 3.7 | 271.0601[M+H–glucuronide]+ | C21H18O11 | Bacalein-6-O-beta-glucopyranoside | S. baicalensis | Yes |
16 | 19.8 | 461.1105 | 461.1078 | 5.9 | 285.0754 [M+H–glucuronide]+ | C22H20O11 | Wogonoside | S. baicalensis | Yes |
17 | 25.6 | 285.0773 | 285.0757 | 5.6 | 270.0535 [M+H–CH3]+ | C16H12O5 | Wogonin | S. baicalensis | Yes |
18 | 5.6 | 153.0546 | 153.0507 | 4.9 | 175.0380 [M+Na]+ | C8H8O3 | Vanillin | G. elata | Not yet |
19 | 10.9 | 683.2537 | 683.2507 | 4.4 | 705.2363 [M+Na]+ | C32H42O16 | Pinoresinol diglucoside | E. ulmoides | Not yet |
20 | 12.2 | 549.1646 | 549.1616 | 5.5 | 531.1493 [M+H–H2O]+ | C26H28O13 | Chrysin-6-C-ara-8-C-glu | S. baicalensis | Not yet |
21 | 13.1 | 549.1620 | 549.1616 | 0.7 | 531.1482 [M+H–H2O]+ | C26H28O13 | Chrysin-6-C-glu-8-C-ara | S. baicalensis | Not yet |
22 | 14.0 | 449.1143 | 449.1178 | 5.4 | 303.0486 [M+H–rhamnose]+ | C21H20O11 | Quercitrin | L. japonicus | Not yet |
23 | 18.5 | 447.0946 | 447.0922 | 5.4 | 271.0617 [M+H–glucuronide]+ | C21H19O11 | Norwogonin-7-O-glucuronide | S. baicalensis | Not yet |
24 | 18.9 | 477.1065 | 447.1028 | 4.9 | 301.0719 [M+H–glucuronide]+ | C22H20O12 | 5,7,8,-Trihydroxy-6-methoxyflavone-7-glucuronide | S. baicalensis | Not yet |
25 | 19.8 | 477.1058 | 477.1028 | 3.7 | 301.0718 [M+H–glucuronide]+ | C22H20O12 | 5,6,7,-Trihydroxy-8-methoxyflavone-7-glucuronide | S. baicalensis | Not yet |