电喷雾离子阱多级质谱对两个含二硫代羰基的双哌嗪双季铵盐裂解方式研究

电喷雾离子阱多级质谱对两个含二硫代羰基的双哌嗪双季铵盐裂解方式研究

王欣, 葛泽梅, 程铁明, 李润涛^*

北京大学药学院, 北京 100083

收稿日期:2003-11-05 修回日期:2004-02-10 出版日期:2004-03-15 发布日期:2004-03-15
通讯作者: 李润涛*

Fragmentation Patterns of Diquaternary Dipiperaziniums Containing Dithiocarboxy lGroups by Electrospray Ionization Tandem Mass Spectrometry

WANG Xin, GE Ze-mei, CHENG Tie-ming, LI Run-tao^*

School of Pharmaceutical Sciences, Peking University, Beijing 100083, China

Received:2003-11-05 Revised:2004-02-10 Online:2004-03-15 Published:2004-03-15
Contact: LI Run-tao*

摘要/Abstract

摘要： 目的研究含二硫代羰基的双哌嗪双季铵盐的裂解方式. 方法电喷雾离子阱多级质谱. 结果 [M²⁺Cl^-]⁺ 碎片呈现双峰, [M²⁺-CH3⁺]⁺离子丰度较低,同时发现[M²⁺Cl^--Cl^--PhCH2⁺]⁺丰度最高且来源于[M²⁺Cl^-]⁺, 其碎片裂解机制由多级质谱证明.

关键词: 二硫代羰基双哌嗪双季铵盐, 二硫代羰基双哌嗪双季铵盐, 电喷雾离子阱多级质谱, 电喷雾离子阱多级质谱, 裂解途径, 裂解途径

Abstract: Aim To analyze the fragmentation patterns of diquaternary dipiperaziniums containing dithiocarboxyl groups. Methods Positive ion electrospray ionization mass spectrometry in conjunction with tandem mass spectrometry (ESI-MSn) was used. Results The fragment ion [M²⁺Cl^-]⁺ showed characteristic double peaks with high intensity instead of the parent molecular ion being detected.And [M²⁺-CH3⁺]⁺ ion had relatively low intensity. Meanwhile, [M²⁺Cl^--Cl^--PhCH2⁺]⁺ species had the highest intensity as the base peak, which was originated from [M²⁺Cl^-]⁺. The detailed fragmentation mechanisms are supported with the tandem mass spectrometry.

Key words: diquaternary dipiperazinium, diquaternary dipiperazinium, dithiocarboxyl gro up, dithiocarboxyl gro up, ESI-MSn, ESI-MSn, fragmentation pathway, fragmentation pathway

中图分类号:

R917.03

R917.74

Supporting: ^*Corresponding author. Tel.: 010-82801504

王欣, 葛泽梅, 程铁明, 李润涛^*. 电喷雾离子阱多级质谱对两个含二硫代羰基的双哌嗪双季铵盐裂解方式研究[J]. .

WANG Xin, GE Ze-mei, CHENG Tie-ming, LI Run-tao^*. Fragmentation Patterns of Diquaternary Dipiperaziniums Containing Dithiocarboxy lGroups by Electrospray Ionization Tandem Mass Spectrometry[J]. .

参考文献

[1] Li RT, Chen HC, Yang JZ. Studies on antitumor drugs of piperazines: synthesis of dipiperazine diquaternary ammonium derivatives [J]. Acta Pharm Sin, 1995, 30 (1): 63-63.
[2] Li RT, Cui JL, Cheng TM, et al. Synthesis and biological activities of 1,1’-diacyl-4,4,4’,4’-tetraalkyl dipiperazinium derivatives [J]. Acta Pharm Sin, 1999, 34 (9): 666-668.
[3] Li RT, Cai JC, Tang XC, et al. Synthesis and biological activities of dibenzyl dipiperazine diquaternary ammonium salts [J]. Arch Pharm Pharm Med Chem, 1999, 332: 179-181.
[4] Ge ZM, Li RT, Cheng TM, et al. Synthesis and biological activities of diquaternary dipiperazinium salts containing dithiocarboxyl groups [J]. Arch Pharm Pharm Med Chem, 2001, 334: 173-176.
[5] Evans CS, Startin JR, Goodall DM, et al. Optimisation of ion trap parameters for the quantification of chlormequat by liquid chromatography/mass spectrometry and the application in the analysis of pear extracts [J]. Rapid Commun Mass Spectrom, 2000, 14 (2): 112-117.
[6] Taguchi VY, Jenkins SWD, Crozier PW, et al. Determination of diquat and paraquat in water by liquid chromatography-(electrospray ionization) mass spectrometry [J]. J Am Soc Mass Spectrom, 1998, 9 (8): 830-839.
[7] Marr JC, King JB. A simple high performance liquid chromatographyPionspray tandem mass spectrometry method for the direct determination of paraquat and diquat in water [J]. Rapid Commun Mass Spectrom, 1997, 11 (5): 479-483.
[8] Castro R, Moyano E, Galceran MT. Ion-pair liquid chromatography-atmospheric pressure ionization mass spectrometry for the determination of quaternary ammonium herbicides [J]. J Chromatogr A 1999, 830: 145-154.
[9] Song X, Budde WL. Capillary electrophoresis-electrospray mass spectra of the herbicides paraquat and diquat [J]. J Am Soc Mass Spectrom, 1996, 7 (9): 981-986.
[10] Moyano E, Games DE, Galceran MT. Determination of quaternary ammonium herbicides by capillary electrophoresis/mass spectrometry [J]. Rapid Commun Mass Spectrom, 1996, 10 (11): 1379-1385.