双（氢化牛脂基）二甲基季铵化合物的质谱裂解规律及色谱分离研究

建立了高效液相色谱-电喷雾串联质谱（HPLC-ESI-MS/MS）联用技术快速鉴定和检测双（氢化牛脂基）二甲基季铵化合物（DHTDMAC）的方法。通过对双（氢化牛脂基）二甲基氯化铵标准品的质谱解析，由一级质谱中各成分的特征母离子峰和二级质谱裂解碎片，得出质谱裂解规律，并推断出标准品中所包含的16种DHTDMAC组分。通过中性丢失扫描、母离子扫描和子离子扫描对质谱解析和裂解规律进行了验证。通过色谱条件的优化，采用电喷雾电离正离子（ESI⁺）、多反应监测（MRM）模式，建立了色谱分离、质谱检测的方法。本研究鉴定出不同链长烷基和碳数的DHTDMAC组分，并建立了DHTDMAC单个组分的简便、高效的检测方法，对准确研究该类化合物，以及加强环境、化工产品和消费品中DHTDMAC的监控提供了依据。

Mass Spectrometric Fragmentation Mechanism and Chromatographic Separation of Dihardenedtallowdimethyl Ammonium Compounds

A method for analysis of dihardenedtallowdimethyl ammonium compounds (DHTDMAC) was established by high performance liquid chromatography-electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS). The mass spectrometric fragmentation mechanism of DHTDMAC was analyzed based on the information of characteristic parent ions and daughter ions, which were obtained from ESI and tandem mass spectrometry. Sixteen components of DHTDMAC were deduced. The components and fragmentation mechanism of DHTDMAC were verified by neutral loss mass scanning, parent ions scanning and daughter ions scanning. As the chromatography conditions were optimized, the analysis of the target compounds was performed under electrospray positive ion source and multiple reaction monitoring mode (MRM). This study identified different alkyl chain lengths and carbon numbers of dihardenedtallowdimethyl ammonium compounds. The method was simple and fast， which was established to detect different component of DHTDMAC. It can provide testing basis for the kind of compounds in environment, chemical products and consumer products, etc, which is helpful for the in-depth research and quality control of DHTDMAC.