title: Electrospray ionization tandem mass spectrometry of 3-[4-bis-N,N-(2- chloroethyl)aminophenyl]acetates of estrane series.
abstract: Collision-induced fragmentation of the [M + Na]+ and [M + H]+ ions generated from 3-[4-bis-N,N-(2-chloroethyl)aminophenyl]acetates in the estrane series under electrospray/ionization was studied. Some regularities in fragmentation pathways depending on the nature of functional groups were established. Formation of the [(M + Na) NaCl]+ ions along with [(M + Na) HCl]+ ions from the [M + Na]+ ions was explained using quantum chemical calculations for some simplified models.
authors: N.D. Zelinsky Institute of Organic Chemistry, RAS 119991, 47 Leninsky Prosp., Moscow, Russian Federation. vkadents@ioc.ac.ru
authors: V I
authors: VI
authors: Kadentsev
authors: A O
authors: AO
authors: Chizhov
authors: O S
authors: OS
authors: Chizhov
authors: N G
authors: NG
authors: Kolotyrkina
authors: A A
authors: AA
authors: Kutin
authors: I D
authors: ID
authors: Nesterov
authors: N D
authors: ND
authors: Chuvylkin
authors: V M
authors: VM
authors: Rzheznikov
authors: L E
authors: LE
authors: Golubovskaya
mesh_terms: D000085:Acetates / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D011789:Quantum Theory; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*
chemical_list: D000085:Acetates