Table 4 Benznidazole-derived metabolites

Metabolites were identified by accurate mass and presence in the sample, but absence in the control incubations.

Retention time (min)StructureMetabolite number1[M+H]+Ionisation stateWT lysateNTROE Lys BControlTcAKR
3.1BenznidazoleNA261.101NANANANA
1.59Hydroxylamine or hydroxy derivative 1 or 211 or 19247.111YYNN
1.8Amino derivative of benznidazole1231.121YYNN
1.49/1.59Dihydroxy-dihydro derivative3265.131YYNN
1.59N-benzyl-2-guanidinoacetamide5207.131NYNN
1.32-Amino-N-benzylacetamide22165.101YYNN
1.74Amino derivative + glutathione (isomer 1)7 or 8536.191YYNN
268.562YYNN
1.83Amino derivative + glutathione (isomer 2)7 or 8536.191YYNN
268.562YYNN
1.55/1.64Amino derivative + glutathione + H2O4554.201YYNN
277.602YYNN
1.76/1.93/2.31Amino derivative + cysteine9350.131YYNNNN
1.34Amino derivative + ovothiol A12 or 14430.171YYNN
215.582YYNN
3.8Possible benznidazole adduct26385.181YYNN
1.63Possible benznidazole adduct28368.121NYNN
3.64/3.8Possible benznidazole adductNA614.351YYNN
2.13Possible benznidazole metaboliteNA204.051YYNN
  • Abbreviations: NA, not applicable.

  • 1 The metabolite numbers refer to the metabolite list in Trochine et al. [10].