title: Fragmentation patterns of novel dithiocarbamate derivatives with pharmaceutical activity under electrospray ionization tandem mass spectrometry conditions.
abstract: The fragmentation patterns of a novel series of dithiocarbamate derivatives with pharmaceutical activity were investigated by positive ion electrospray ionization mass spectrometry in conjunction with tandem mass spectrometry (ESI-MS(n)). In the gas phase, the dithiocarbamate protonated molecules containing the piperazinium moiety undergo losses of bromide to form the piperazinium cation by ionization, followed by subsequent losses of methyl bromide, ring opening and rearrangement of piperazinium. Furthermore, the dithiocarbamate derivatives and their intermediates both undergo cleavage of the C-S bond to produce two common fragment ions. The different fragmentation observed for these compounds facilitated their identification and could be valuable in the further study of their metabolic pathways as prodrugs.
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.
authors.forename: Xin
authors.initials: X
authors.lastname: Wang
authors.forename: Yaowu
authors.initials: Y
authors.lastname: Sha
authors.forename: Zemei
authors.initials: Z
authors.lastname: Ge
authors.forename: Wei
authors.initials: W
authors.lastname: Wang
authors.forename: Runtao
authors.initials: R
authors.lastname: Li
mesh_terms: D010879:Piperazines / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods*; D013859:Thiocarbamates / Q000737:chemistry*
chemical_list: D010879:Piperazines; D013859:Thiocarbamates