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Table 1 Chromatographic and MS data (positive mode) of the constituents identified using our newly developed UPLC-Q-TOF-MS method

From: Full component analysis of Tianma-Gouteng-Yin

  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