UPLC/QTOF retention times, potential formula, and accurate masses for meisoindigo and its in vitro metabolites
Retention Time | Molecular Formula (1+) | m/z (1+) | Del M | Measured m/z (1+) | PPM | |
|---|---|---|---|---|---|---|
| min | Da | |||||
| Meisoindigo | 3.42 | C17H13N2O2 | 277.0977 | −0.0001 | 277.0976 | −0.4 |
| M1 + M2 | 2.07 | C17H15N2O2 | 279.1134 | 2.0162 | 279.1139 | 1.8 |
| M3 + M4 | 2.43 | 2.0153 | 279.1130 | −1.4 | ||
| M5 + M6 | 1.65 | C16H13N2O2 | 265.0977 | −12.0005 | 265.0972 | −1.9 |
| M7 (M8) | 2.26 | −11.9996 | 265.0981 | 1.5 | ||
| M9, M11, M13, M15 | 1.66 | C17H15N2O3 | 295.1083 | 18.0104 | 295.1081 | −0.7 |
| 1.74 | 18.0111 | 295.1088 | 1.7 | |||
| M10, M12, M14, M16 | 1.45 | 18.0111 | 295.1088 | 1.7 | ||
| 1.56 | 18.0113 | 295.1090 | 2.4 | |||
|
| 2.17 |
|
| 18.0101 | 295.1078 | −1.7 |