Table 5.
Mass data of the six analytes from M. officinalis by UPLC-Q/TOF-MS.
| Analyte | Molecular Formula | Theoretical Mass (Da) | Measured Mass (Da) | Error (ppm) | Fragment Ions (ESI−, m/z) |
|---|---|---|---|---|---|
| Monotropein | C16H22O11 | 389.1084 [M − H]− | 389.1066 [M − H]− | −4.62 | 226.9712, 190.9609, 164.9873, 146.9802 |
| Deacetyl asperulosidic acid | C16H22O11 | 389.1084 [M − H]− | 389.1072 [M − H]− | −3.08 | 146.9305, 165.0189, 227.0082, 190.9921 |
| Asperulosidic acid | C18H24O12 | 431.1190 [M − H]− | 431.1184 [M − H]− | −1.39 | 146.9305, 165.0189, 251.0062, 119.0033 |
| Asperuloside | C18H22O11 | 413.1084 [M − H]− | 413.1092 [M − H]− | 1.94 | 146.9926, 190.9722, 233.0963, 369.1387 |
| Rubiadin-1-methyl ether | C16H12O4 | 267.0657 [M − H]− | 267.0653 [M − H]− | 1.50 | 224.0036, 252.9935 |
| Rubiadin | C15H10O4 | 253.0501 [M − H]− | 253.0503 [M − H]− | 0.79 | 225.0101, 209.0170, 181.0270 |