Electrospray ionization tandem mass spectrometry of 3-[4-bis-N,N-(2-chloroethyl)aminophenyl]acetates of the estrane series

摘要

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 electrospraylionization 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)-HCI](+) ions from the [M + Na](+) ions was explained using quantum chemical calculations for some simplified models.