TABLE 1

MS/MS data of BPDZ 157 and its metabolites

Protonated MoleculeProduct Ions
BPDZ 157 (parent)302.0730 [C12H16ClN3O2S]+231.9956 [C7H7ClN3O2S]+
189.9645 [C6H5ClNO2S]+
141.9986 [C7H9ClN]+
126.0045 [C6H6ClN]+
M1231.9947 [C7H7ClN3O2S]+189.9675 [C6H5ClNO2S]+
142.0032 [C7H9ClN]+
126.0092 [C6H6ClN]+
M2334.0628 [C12H16ClN3O4S]+316.0504 [C12H14ClN3O3S]+
298.0374 [C12H12ClN3O2S]+
272.0240 [C10H12ClN3O2S]+
231.9908 [C7H7ClN3O2S]+
189.9695 [C6H5ClNO2S]+
142.0008 [C7H9ClN]+
126.0086 [C6H6ClN]+
M3318.0679 [C12H16ClN3O3S]+300.0471 [C12H14ClN3O2S]+
231.9775 [C7H7ClN3O2S]+
189.9552 [C6H5ClNO2S]+
141.9969 [C7H9ClN]+
125.9960 [C6H6ClN]+
M4318.0679 [C12H16ClN3O3S]+300.0495 [C12H14ClN3O2S]+
231.9747 [C7H7ClN3O2S]+
189.9529 [C6H5ClNO2S]+
141.9940 [C7H9ClN]+
125.9997 [C6H6ClN]+
M5318.0679 [C12H16ClN3O3S]+300.0495 [C12H14ClN3O2S]+
231.9747 [C7H7ClN3O2S]+
189.9529 [C6H5ClNO2S]+
141.9940 [C7H9ClN]+
125.9997 [C6H6ClN]+
M6316.0522 [C12H14ClN3O3S]+299,0306 [C12H13ClN3O2S]+
231.9795 [C7H7ClN3O2S]+
189.9682 [C6H5ClNO2S]+
142.0004 [C7H9ClN]+
126.0083 [C6H6ClN]+