No | tR (min) | Identified compound | Elemental composition | Theoretical m/z | Experimental m/z | Proposed ions | Common fragment ions/(m/z) | Plant source |
---|---|---|---|---|---|---|---|---|
1 | 6.19 | Gallic acid | C7H6O5 | 169.0142 | 169.3922 | [MāH]ā | 125.02, 107.02, 81.03 | D |
2 | 13.08 | Chlorogenic acid | C16H18O9 | 353.0878 | 353.0875 | [MāH]ā | 191.05, 179.03, 135.04 | A, D, E, F, G |
3 | 14.06 | Isochlorogenic acid | C16H18O9 | 353.0878 | 353.0844 | [MāH]ā | ā | E, F, G |
4 | 17.37 | Caffeic acid | C9H8O4 | 179.0350 | 179.0219 | [MāH]ā | 135.04 | B, E, G, |
5 | 18.70 | Albiflorin | C23H28O11 | 525.1614 | 525.1601 | [M+COOH]ā, [M+Na]+ | 525.16, 479.16, 327.11, 381.04, 341.15 | D |
6 | 20.47 | Paeoniflorin | C23H28O11 | 525.1614 | 525.1545 | [M+COOH]ā, [M+Na]+ | 525.15, 479.16, 327.11 - | D |
7 | 23.49 | Ethyl gallate | C9H10O5 | 197.0455 | 197.0324 | [MāH]ā | 169.12 | D |
8 | 25.90 | Ferulic acid | C10H10O4 | 193.0506 | 193.0542 | [MāH]ā | 149.06, 134.03 | A, B |
9 | 30.38 | Tetrahydropalmatine | C21H25NO4 | 356.1856 | 356.1794 | [M+H]+ | 341.16, 192.09, 165.08 | I |
10 | 31.57 | Isocorynoxeine | C22H26NO4 | 369.1935 | 369.1836 | [M+H]+ | 351.17, 319.14,187.13 | E |
11 | 33.13 | Rosmarinic acid | C18H16O8 | 359.0772 | 359.0543 | [MāH]ā | 197.04, 135.04, 161.02 | G |
12 | 33.66 | Corydaline | C22H27NO4 | 370.2013 | 370.1958 | [M+H]+ | 355.18, 340.16 | I |
13 | 34.75 | Rubrofusarin-gentiobioside | C27H32O15 | 595.1668 | 595.1537 | [MāH]ā | 273.08, 271.06, 256.04 | H |
14 | 35.45 | Palmatine | C21H22NO4 | 352.1543 | 352.1592 | M+ | 336.13, 321.10, 294.11, | I |
15 | 36.43 | Berberine | C20H17NO4 | 335.1152 | 335.1128 | M+ | 321.10, 320.09, 304.10 | I |
16 | 37.41 | Dehydrocorydaline | C22H24NO4 | 366.1700 | 366.1639 | M+ | 351.15, 336.15, 321.10 | I |
17 | 40.50 | Cassiaside C | C27H32O15 | 641.1723 | 641.1711 | [M+COOH]ā | 641.21 | H |
18 | 41.07 | Physcion-glucoside | C22H22O10 | 445.1140 | 445.1125 | [MāH]ā | 283.06, 268.06, 212.04 | H |
19 | 50.85 | aurantio-obtusin | C17H14O7 | 329.0667 | 329.0661 | [MāH]ā | 314.04, 285.04, 299.02, | H |
20 | 52.25 | Rhein | C15H8O6 | 283.0248 | 283.0233 | [MāH]ā | 239.03, 211.02 | H |
21 | 54.99 | Physcion | C16H12O5 | 283.0612 | 283.0649 | [MāH]ā | 268.03, 240.04, 239.04 | H |
22 | 56.05 | chryso-obtusin | C19H18O7 | 357.0980 | 357.0982 | [MāH]ā | 342.07, 312.03, 284.03 | H |
23 | 59.78 | Senkyunolide A | C12H16O2 | 193.1223 | 193.1211 | [M+H]+ | 173.10, 145.10, 135.05 | A, B |
24 | 60.97 | Butylphthalide | C12H14O2 | 191.1067 | 191.1069 | [M+H]+ | 173.10, 145.10, 135.05 | A, B |
25 | 61.11 | Obtusifolin | C16H12O5 | 283.0612 | 283.0610 | [MāH]ā | 268.03, 240.04 | H |
26 | 63.64 | Z-Ligustilide | C12H14O2 | 191.1067 | 191.1.65 | [M+H]+ | 173.10, 145.10, 135.04 | A, B |
27 | 64.83 | Emodin | C15H10O5 | 269.0455 | 269.0451 | [MāH]ā | 241.05, 225.05 | H |
28 | 65.75 | E-Ligustilide | C12H14O2 | 191.1067 | 191.0834 | [M+H]+ | 173.10, 145.10, 135.04 | A, B |