TABLE 3

Cyanide-trapped reactive metabolites detected by high-resolution mass spectrometry after incubation of multiple substrates (100 μM) with NADPH-fortified HLM (1 mg/ml) for 90 min in the presence of NaCN (1 mM)

Drug	Conjugate	Unit Resolution m/z	Proposed Composition	Accurate m/z	Mass Error
					ppm
Clozapine	CL1	334	P + CN + O-Cl	334.1656	−3.5
	CL2	368	P + CN + O	368.1275	−0.8
	CL3	368	P + CN + O	368.1275	−0.8
	CL4^{^a}	352	P + CN	352.1328	−0.2
	CL5	338	P + CN-CH₂	338.1160	−3.6
Indinavir	IN1^{^b}	578	P + dealkylation + O+CN + CH₂	578.3350	2.2
	IN2^{^b}	562	P + dealkylation + CN + CH₂	562.3402	2.5
Ketoconazole	KE1	572	P + CN + O	N.D.	N.A.
	KE2	556	P + CN	556.1481	−6.7
Nefazodone	NE1^{^b}	415	P + dealkylation + O+CN + CH₂	415.2452	0.0
	NE2^{^b}	399	P + dealkylation + CN + CH₂	399.2505	0.5
	NE3	527	P + CN + 2O	N.D.	N.A.
	NE4	511	P + CN + O	N.D.	N.A.
	NE5	511	P + CN + O	N.D.	N.A.
	NE6	495	P + CN	N.D.	N.A.
	NE7	511	P + CN + O	N.D.	N.A.
	NE8	495	P + CN	N.D.	N.A.
Nicotine	NI1^{^a}	188	P + CN	188.1184	−1.9
	NI2^{^a}	188	P + CN	188.1184	−1.9
Prochlorperazine	PR1	415	P + CN + O	415.1361	0.5
	PR2	431	P + CN + 2O	431.1313	0.9
	PR3	415	P + CN + O	N.D.	N.A.
	PR4^{^a}	399	P + CN	399.1410	0.0
	PR5^{^a}	399	P + CN + 14	N.D.	N.A.
	PR6	429	P + CN + 2O	N.D.	N.A.
	PR7^{^a}	399	P + CN	N.D.	N.A.

N.D., not detected; N.A., not applicable.
↵a Potential metabonate.
↵b Metabonate.