液相色谱-串联质谱前驱离子扫描非靶向筛查卤代有机物

Non-target Screening of Halogenated Organic Compounds Using Liquid Chromatography-Tandem Mass Spectrometry Precursor Ion Scan

建立了液相色谱-串联质谱(LC-MS/MS)前驱离子扫描(PIS)非靶向筛查卤代有机物的分析方法。卤代有机物在PIS分析中产生的卤素碎片离子能通过PIS Q3预设的质核比通道(m/z 35、37、79、81和127),根据通过的质核比通道可判断卤代有机物种类,并获取其分子离子质核比信息,而非卤代有机物无法通过PIS Q3的筛选。当Q2碰撞能为50 eV时,PIS对卤代有机物具有较高的灵敏度。利用伯努利概型总结了不同卤代有机物的理论同位素峰数量和丰度比的规律,结合PIS分析结果可判断有机物携带卤素原子数量。本方法成功应用于实验室样品和海水中卤代有机物的筛查,未来有望用于其它环境样品中卤代有机物的快速筛检。

A new analytical method based on liquid chromatography-tandem mass spectrometry(LC-MS/MS)precursor ion scan(PIS)was developed for the non-target screening of halogenated organic compounds(HOCs).Briefly,fragmented halogen ions from the precursor of HOCs could pass Q3 channels fixing at m/z 35,37,79,81 and 127,and the corresponding precursors were simultaneously recorded in Q1.Therefore,the halogenated species and molecular ions of HOCs could be inferred from the selection of Q3 and Q1.Results showed that PIS had a higher sensitivity to HOCs when the collision energy in Q2 was set at 50 eV.Bernoulli experiment models were used to calculate theoretical isotopic abundances of HOCs.This method was successfully applied to the screening of HOCs in laboratory reaction samples and seawater.This work suggested that PIS was potentially an effective tool for the non-target screening of HOCs in various environmental matrices.