Electrospray ionization tandem mass spectrometry of 3-[4-bis-N,N-(2- chloroethyl)aminophenyl]acetates of estrane series |
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| Authors: | Kadentsev V I Chizhov A O Chizhov O S Kolotyrkina N G Kutin A A Nesterov I D Chuvylkin N D Rzheznikov V M Golubovskaya L E |
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| Institution: | N.D. Zelinsky Institute of Organic Chemistry, RAS 119991, 47 Leninsky Prosp., Moscow, Russian Federation. vkadents@ioc.ac.ru. |
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| 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. |
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