Electrospray ionization tandem mass spectrometry of 3-[4-bis-N,N-(2- chloroethyl)aminophenyl]acetates of estrane series.
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.
Kadentsev
V I
VI
N.D. Zelinsky Institute of Organic Chemistry, RAS 119991, 47 Leninsky Prosp., Moscow, Russian Federation. vkadents@ioc.ac.ru
Chizhov
A O
AO
Chizhov
O S
OS
Kolotyrkina
N G
NG
Kutin
A A
AA
Nesterov
I D
ID
Chuvylkin
N D
ND
Rzheznikov
V M
VM
Golubovskaya
L E
LE
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*
D000085:Acetates