Table 1 Screened potential Q-markers based on mean impact value
Selected compounds | Compound name | Formula | tR /min | Experimental m/z | Theoretical m/z | Common fragment ions |
|---|---|---|---|---|---|---|
S1 | Berberine | C20H18NO4 | 31.87 | 336.1216 | 336.123 | 321.1041, 320.0832, 306.0733, 304.0941, 292.0941 |
S2 | Palmatine | C21H22NO4 | 30.34 | 352.1514 | 352.1543 | 338.1273, 337.1271, 336.1124, 322.1271, 308.1417, 291.1622 |
S3 | Columbamine | C20H20NO4 | 24.85 | 338.1353 | 338.1387 | 324.1187, 323.1189, 308.1561, 306.0932, 294.1225, 293.0972 |
S4 | Jatrorrhizine | C20H20NO4 | 25.64 | 338.1353 | 338.1387 | 324.1187, 323.1189, 308.1208, 295.1436 |
S5 | Coptisine | C19H14NO4 | 26.47 | 320.089 | 320.0917 | 318.0861, 293.1106, 292.0846, 290.0876, 264.1363 |
S6 | Epiberberine | C20H18NO4 | 25.31 | 336.1216 | 336.123 | 321.1094, 320.0993, 308.1068, 292.0815 |
S7 | Berberubine | C19H16NO4 | 12.70 | 322.1064 | 322.1064 | 307.0826 |
S8 | Ononin | C22H22O9 | 28.2 | 431.1305 | 431.1337 | 269.1364 |
S12 | 1-O-Caffeoylquinic acid | C16H18O9 | 16.21 | 355.099 | 355.0945 | 267.0846, 163.0635 |
S18 | Demethyleneberberine | C19H18NO4 | 22.18 | 324.1209 | 324.1231 | 307.0814, 294.0844, 279.0705, 266.0983 |