Table 2

Summary of key mass spectrometry fragmentation for delavirdine and its metabolites

Compound	Matrix	Ionization Mode^2-a	MH⁺	Fragments (m/z)^2-b
Compound	Matrix	Ionization Mode^2-a	MH⁺	A	B	C	D	E	F
DLV	Plasma, bile, urine	ESI	457	136^2-c	323	221	—	247^2-c ^, ^2-d	378^2-c ^, ^2-d
MET-2	Bile, urine	ESI	323	—	—	—	237	—	—
MET-4a	Urine	APCI	495	—	—	179^2-e	237	207^2-e	—
MET-4b,d	Urine	ESI	511	—	323	275, 195^2-e	—	221^2-e	—
MET-4b,d	Urine	APCI	511	—	—	275	237	—	337^2-e
MET-4c	Bile, urine	ESI, APCI	618	—	—	179^2-d ^, ^2-f	237^2-d	—	—
MET-4c	Urine	CI	618	—	323	179^2-f	237	207	337^2-f
MET-5	Plasma, bile, urine	ESI	415	—	—	179	237^2-d	205	336^2-c ^, ^2-d
MET-5	Urine	CI	415	95	323	179	—	207	337
MET-6	Plasma, urine	ESI	649	—	—	237^2-g	237	263^2-g	570^2-c
MET-6	Bile	ESI^2-h	649	—	—	237^2-g	—	263^2-g	394^2-g
MET-7	Urine	ESI	473	—	—	—	—	263	—
MET-7	Urine	APCI	473	—	—	237	237	263	395
MET-12	Bile, urine	ESI	221	—	—	—	—	—	—
MET-15b,d	Urine	APCI	431	—	—	195	237	221	353
MET-16	Bile	ESI^2-h	649	—	—	221^2-g	—	247^2-g	394^2-g
MET-17	Bile	ESI^2-h	633	—	499	221	—	247	553

↵2-a APCI, atmospheric pressure chemical ionization; CI, chemical ionization; ESI, electrospray ionization.
↵2-b Some fragments are not observed because of the structure of the compound or because of low concentrations.
↵2-c Not observed in urine.
↵2-d Not observed in bile.
↵2-e Minus sulfate.
↵2-f Minus N-acetylglucosamine.
↵2-g Minus glucuronic acid.
↵2-h Product-ion spectrum.