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Table 1 LC-MS data for cryptolepine and proposed metabolites

From: Identification of cryptolepine metabolites in rat and human hepatocytes and metabolism and pharmacokinetics of cryptolepine in Sprague Dawley rats

Metabolite code Retention time (min) Measured m/z Proposed MH+ formula Product ions m/z and proposed neutral loss formula m/z after H/D exchange Detected in hepatocyte species Detected in rat plasma/urine
M1 12.9 409.1394 C22H21N2O6 233 (-C6H9O6); MS3 218 (-CH3) 413 H  
M2 14.8 425.1344 C22H21N2O7 249 (-C6H9O6); MS3 221 (-CO), 234 (-CH3) 430 R, H Urine
M3 14.8 267.1129 C16H15N2O2 221 (-CH2O2), 239 (-CO), 249 (-H2O), 252 (-CH3) 270 R, H  
M4 15.8 425.1343 C22H21N2O7 249 (-C6H9O6); MS3 221 (-CO), 234 (-CH3) 430 R, H  
M5 17.1 283.1078 C16H15N2O3 211 (-C3H4O2), 225 (-C3H6O), 237 (-CH2O2), 239 (-C2H4O), 255 (-CO), 265 (-H2O), 268 (-CH3) 287 R, H  
M6 18.1 249.1023 C16H1 3N2O 221 (-CO), 231 (-H2O), 234 (-CH3), 235 (-CH2) 251 R, H Urine, plasma
Cryptolepine 18.5 233.1073 C16H13N2 218 (-CH3), 219 (-CH2) 234 R, H Urine
M7 18.6 249.1022 C16H13N2O 221 (-CO), 231 (-H2O), 234 (-CH3), 235 (-CH2) 251 R, H  
M8 18.7 441.1294 C22H21N2O8 222 (-C6H9O6 - C2H3O), 237(-C6H9O6 - CO), 247(-C6H9O6 - H2O), 250(-C6H9O6 - CH3), 265 (-C6H9O6) 447 R  
M9 19.2 441.1292 C22H21N2O8 222 (-C6H9O6 - C2H3O), 237(-C6H9O6 - CO), 247(-C6H9O6 - H2O), 250(-C6H9O6 - CH3), 265 (-C6H9O6) 447 R Urine
  1. R: rat; H: human