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

被引：5

作者：

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.

机构：

[1] RAS, ND Zelinskii Organ Chem Inst, Moscow 119991, Russia

[2] RAMS, Endocrinol Res Ctr, Moscow 117036, Russia

来源：

EUROPEAN JOURNAL OF MASS SPECTROMETRY | 2007年 / 13卷 / 03期

关键词：

configuration; estrane; 3-[4-bis-N; N-(2-chloroethyl)aminophenyl; acetate; electrospray/ionization; tandem mass spectrometry; collision-induced dissociation; quantum chemical calculations; Gaussian; 98;

D O I：

10.1255/ejms.872

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

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.

引用

页码：207 / 211

页数：5