TABLE 2

Masses of tamoxifen metabolites with structural data obtained from MS/MS spectra

			RT	[M + H]⁺ (m/z)	Δ (m/z)	MS/MS^a (m/z)
			RT	[M + H]⁺ (m/z)	Δ (m/z)				-N	-N,-d	cde	abd	ad	Other
			min
Metabolites with traceable ERα affinity
TAM	Tamoxifen		52.7	372	0	327	299	218	207	129
TM 1			21.9	N.D.		N.D.
TM 2			24.2	N.D.		N.D.
TM 3			25.0	N.D.		N.D.
TM 4			25.4	N.D.		N.D.
TM 5	3 or 4-OH	3′- or 4′-OH	28.0	404	+32	359	331		239	145	265	166
TM 6			29.2	N.D.		N.D.
TM 7			32.0	N.D.		N.D.
TM 8	N-Desmethyl	3- or 4- or α-OH	35.1	374	+2	343			223	145	152
TM 9	N-Desmethyl	OH	37.9	374	+2	329			209		235	166
TM 10	N-Desmethyl	3- or 4- or α-OH	38.4	374	+2	343			223	145	316
TM 11	3- or 4-OH		40.9	388	+16	343	315	234	223	145	166
TM 12	3- or 4-OH		43.6	388	+16	343	315		223	145	296
TM 13	N-Desmethyl		44.9	358	-14	327			207	129	152
TM 14	-OH		48.1	388	+16	N.D.
TM 15	N-Oxide		49.5	388	+16	327	299		207		370
Metabolites without traceable ERα affinity
TM 16	-OH	-OH	35.2	404	+32	N.D.
TM 17	α-OH	c-ring-OH	40.3	404	+32	359	315		223	145	387	237
TM 18	-OH	-OH	42.4	404	+32	N.D.
TM 19	α-OH	-OH	43.9	404	+32	358	315				386	199
TM 20	N-Desmethyl	-OH	47.5	374	+2	N.D.
TM 21	Quinone		55.5	402	+30						387	215

N.D., not determined.
↵ a Letters (a—e) correspond to those assigned to moieties in the structure of TAM in Fig. 6; N corresponds to the N-dimethyl group. Minus signs indicate the loss of the moiety in MS/MS.