Once the molecular formulae were generated and the UV-Vis results contrasted, the MS/MS fragmentation patterns were studied and compared with those in databases, but only experimental MS/MS spectra of protopine and cryptopine were found (Table S2).
Compounds are numbered according to Table 2: (1) pallidine; (2) isoboldine derivative; (3) N,N-dimethylcoclaurine (4) fumaritine; (5) coclaurine; (6) N-methylcoclaurine; (7) magnoflorine; (8) reticuline; (9) parfumine; (10) parfumidine; (11) isoboldine; (12) coreximine; (13) methylcoreximine 1; (14) methylcoreximine 2; (15) cheilanthifoline; (16) dehydrocheilanthifoline; (17) demethyleneberberine/jatrorubine; (18) cryptopine; (19) protopine; (20) fumariline; (21) stylopine; (22) coptisine; (23) corysamine; (24) impatien C; (25) dihydrosanguinarine; (26) 8-oxocoptisine.
However,
cryptopine (3), allocryptopine (4), scoulerine (26), mecambridine (27), 2,3,10,11-tetramethoxyberbine (28), 8-ethyl-2,3,10,11-tetramethoxyberbine (29) and 2,3-dimethoxyberbine (36) had some selectivity towards CYP2D6, and these compounds add to the list of known CYP2D6 ligands (Lewis 2004; Wang et al.