Table 1 Retention time (RT), MRM transitions, and mass spectrometric parameters
Compound | RT (min) | Precursor ion (m/z) | Product ion (m/z) | DPa (V) | EPb (V) | CEc (V) | CXPd (V) |
|---|---|---|---|---|---|---|---|
EtG | 5.14 | 221.0 | 75.0 | − 55 | − 10 | − 18 | − 7 |
85.0 | − 55 | − 10 | − 22 | − 9 | |||
EtG-d5 | 5.08 | 226.0 | 75.0 | − 75 | − 10 | − 20 | − 1 |
NTX | 7.86 | 342.1 | 324.1 | 81 | 10 | 29 | 8 |
270.0 | 81 | 10 | 39 | 10 | |||
6βNTX | 8.08 | 344.1 | 308.0 | 76 | 10 | 39 | 10 |
254.0 | 76 | 10 | 43 | 10 | |||
6βNTX-d3 | 8.06 | 347.1 | 254.0 | 66 | 10 | 47 | 14 |
norCDP | 11.30 | 286.0 | 269.0 | 86 | 10 | 21 | 12 |
241.0 | 86 | 10 | 25 | 22 | |||
norDP-d5 | 11.23 | 291.0 | 274.1 | 91 | 10 | 21 | 12 |
CDP | 11.90 | 300.0 | 227.0 | 71 | 10 | 31 | 16 |
283.0 | 71 | 10 | 33 | 14 | |||
CDP-d5 | 11.85 | 305.0 | 232.0 | 81 | 10 | 31 | 6 |