Table 2.
UHPLC-HRMS detection of AMB-CHMICA and its metabolites.
| Compound | RT (min) | [M + H]+ (m/z) | Elemental composition | Mass error (ppm) | Fragment (m/z) | Elemental composition | Mass error (ppm) |
|---|---|---|---|---|---|---|---|
| AMB-CHMICA | 9.80 | 371.2327 | C22H31N2O3+ | −2.2 | 240.1382 | C16H18NO+ | −2.5 |
| 144.0443 | C9H6NO+ | −4.2 | |||||
| 97.1014 | C7H13+ | −3.1 | |||||
| M1 | 8.68 | 357.2169 | C21H29N2O3+ | −2.5 | 240.1383 | C16H18NO+ | −2.1 |
| (O-demethyl) | 144.0439 | C9H6NO+ | −6.9 | ||||
| M2 | 7.24 | 387.2290 | C22H31N2O4+ | 1.5 | 256.1336 | C16H18NO2+ | −0.8 |
| (OH-cyclohexyl) | 144.0455 | C9H6NO+ | 4.2 | ||||
| M3 | 6.88 | 403.2236 | C22H31N2O5+ | 0.7 | 256.1320 | C16H18NO2+ | −7.0 |
| (OH-cyclohexyl, OH-isopropyl) | 144.0446 | C9H6NO+ | −2.1 | ||||
| M4 | 8.72 | 387.2277 | C22H31N2O4+ | −1.8 | 240.1382 | C16H18NO+ | −2.5 |
| (OH-isopropyl) | 144.0448 | C9H6NO+ | −0.7 | ||||
| M5 | 6.20 | 373.2118 | C21H29N2O4+ | −2.4 | 256.1342 | C16H18NO2+ | 1.6 |
| (O-demethyl, OH-cyclohexyl) | 144.0453 | C9H6NO+ | 2.8 | ||||
| M6 | 6.02 | 373.2117 | C21H29N2O4+ | −2.7 | 256.1336 | C16H18NO2+ | −0.8 |
| (O-demethyl, OH-cyclohexyl) | 144.0453 | C9H6NO+ | 2.8 | ||||
| M7 | 8.50 | 355.2020 | C21H27N2O3+ | −0.6 | 240.1387 | C16H18NO+ | −0.4 |
| (isopropyl lactone) | 144.0458 | C9H6NO+ | 6.2 | ||||
| M8 | 5.75 | 371.1977 | C21H27N2O4+ | 1.6 | 256.1339 | C16H18NO2+ | 0.4 |
| (isopropyl lactone, OH-cyclohexyl) | 144.0456 | C9H6NO+ | 4.9 | ||||
| M9 | 5.97 | 371.1970 | C21H27N2O4+ | −0.3 | 256.1333 | C16H18NO2+ | −2.0 |
| (isopropyl lactone, OH-cyclohexyl) | 144.0456 | C9H6NO+ | 4.9 |