基于高分辨质谱的化妆品中20种香料的高通量检测

High-throughput determination of 20 fragrances in cosmetics based on obitrap high resolution mass spectrometry

基于静电场轨道阱高分辨质谱技术,建立化妆品中20种香料成分的高通量检测方法,并应用于实际样品中香料成分的筛查与定量分析。利用香料成分标准品通过高分辨质谱正负离子切换FullMS/ddM S^2扫描方式分析,获得多种香料成分的保留时间、一级母离子和二级碎片离子精确质量数,构建香料成分筛查谱库。样品用甲醇超声提取后,经超高效色谱柱分离,采用高分辨质谱分析,利用TraceFinder软件对化妆品中的香料成分与谱库相关信息匹配,实现目标物的高通量筛查确证,筛查确认后利用一级母离子外标法进行香料成分的定量分析。经验证该方法的线性关系良好(R^2>0.99),方法的检出限(0.1~10μg/g)、回收率(89.6%~109.1%)和精密度(3.1%~9.2%)能够满足欧盟对香料成分标注的限量要求,可用于同时测定化妆品中多种香料成分。

Based on obitrap high resolution mass spectrometry,a high throughput detection method for 20 fragrances in cosmetics was established and applied to the screening and quantitative analysis of fragrances in practical samples.The retention time,accurate mass of parent and secondary fragment ions for various fragrances were obtained from standard solution by high resolution mass spectrometry with positive and negative ion switching FullMS/ddMS^2 scanning mode,and the screening library of fragrances were established.The samples were extracted with methanol,separated by ultra high performance chromatographic column,analyzed by highresolution mass spectrometry,and confirmed by high-throughput screening by matching the information of allergenic ingredients in the screening library with TraceFinder software.Quantitative analysis of fragrances was carried out by parent ions external standard method after screening and confirmation.Good linear relationships were obtained in their respective linear ranges with related coefficients(R^2>0.99).The limit of detections(0.1-10μg/g),recoveries(89.6%-109.1%)and precisions(3.1%-9.2%)of this method can meet the limit of labeling for fragrances in European Union.The method can be used for simultaneous determination suitable of various fragrances in cosmetics.