化妆品中52种禁用抗组胺类药物高分辨质谱数据库建立与应用  

Establishment and Application of 52 Prohibited Antihistamines Database with High Resolution Mass Spectrometry in Cosmetics

作　　者：殷帅 尹伟成 张伟清[2] 吴珊湖 黄海萍 吴志珊 章为 YIN Shuai;YIN Weicheng;ZHANG Weiqing;WU Shanhu;HUANG Haiping;WU Zhishan;ZHANG Wei(Hunan Institute for Drug Control,Changsha 410001,Hunan,China;National Institutes for Food and Drug Control,Beijing 100000,China;Thermo Fisher Scientific(China)Co.,Ltd.,Shanghai 201216,China;Xiangya School of Pharmaceutical Sciences,Central South University,Changsha 410013,Hunan,China)

机构地区：[1]湖南省药品检验检测研究院,湖南长沙410001 [2]中国食品药品检定研究院,北京100000 [3]赛默飞世尔科技(中国)有限公司,上海201206 [4]中南大学湘雅药学院,湖南长沙410013

出　　处：《香料香精化妆品》2023年第4期116-120,共5页Flavour Fragrance Cosmetics

基　　金：湖南省自然科学基金资助项目(编号2022JJ80012、2020JJ9003);湖南省自然科学基金-科药联合基金项目(编号2023JJ60109)。

摘　　要：基于质谱数据库,建立了超高效液相色谱-静电场轨道阱高分辨质谱仪(UHPLC-Orbitrap HRMS)快速筛查化妆品中52种禁用抗组胺类药物的方法。选定52种常见的抗组胺类药物,以乙腈超声提取,采用Acquity UPLC BEH C18色谱柱(100 mm×2.1 mm×1.8μm)分离,以乙腈和2 mmol/L甲酸铵(含体积分数0.05%甲酸)水溶液为流动相,梯度洗脱,在电喷雾电离源正离子模式(HESI+)下,以全扫描/数据依赖二级质谱扫描(Full MS/dd-MS2)的模式进行分析,得到各组分保留时间、母离子精确质量数、碎片离子精确质量数等,将采集到的标准物质相关数据导入至Tracefinder软件,建立了52种禁用抗组胺类成分的高分辨质谱数据库。共筛选100批次市售化妆品,其中4批次检出依巴斯汀。该方法检测速度快、筛查定性结果准确,适用于市售化妆品中抗过敏类药物的快速筛查。A method based on ultra-high performance liquid chromatography-orbitrap high resolution mass spectrometer(UHPLC-Orbitrap HRMS)was developed to quickly screen 52 prohibited antihistamines in cosmetics.The 52 common antihistamines were selected by preliminary investigations.The samples were ultrasonically extracted with acetonitrile and separated by using an Acquity UPLC BEH C18 column(100 mm×2.1 mm×1.8μm)with gradient elution of acetonitrile and 2 mmol/L ammonium formate containing 0.05%(in volume)formic acid aqueous solution as the mobile phase.The retention time of each component,the accurate masses of precursor ions and fragment ions were obtained by Orbitrap HRMS with HESI+and Full MS/dd-MS2 mode.By importing the data of standard substances into the Tracefinder software,an HRMS database of 52 prohibited antihistamines was established. Total 100 batches samples were monitored, results indicated ebastine was detected positively in 4 samples. This method was simple, rapid and sensitive, and could be suitable for rapid screening of antihistamines drugs in commercial cosmetics.

关 键 词：化妆品 高分辨质谱 抗组胺类药物 质谱数据库 快速筛查 

分 类 号：O657.63[理学—分析化学] TQ658[理学—化学]