Cline R E, Todd G D, Ashley D L, Grainger J, McCraw J M, Alley C C, Hill R H
Division of Environmental Health Laboratory Sciences, Center for Environmental Health and Injury Control, Atlanta, Georgia 30333.
J Chromatogr Sci. 1990 Apr;28(4):167-72. doi: 10.1093/chromsci/28.4.167.
Eleven phenols and 2,4-dichlorophenoxyacetic acid, compounds that may be found in body fluids of humans exposed to pesticides, are derivatized with pentafluorobenzyl bromide and characterized by gas chromatography with electron capture detection. These derivatives are further characterized by positive and negative chemical ionization mass spectrometry, nuclear magnetic resonance spectroscopy, and gas chromatography-Fourier transform infrared spectroscopy. Negative chemical ionization mass spectra of all derivatives have an anionic base peak derived from the parent analyte. In the positive mode the nonchlorinated derivatives have base peaks indicative of the analyte, while chlorinated derivatives are cleaved to give the pentafluorobenzyl cation as base peak. The possibility is explored that ortho-substituted phenols might be formed as byproducts in these derivatizations.
11种酚类化合物以及2,4-二氯苯氧乙酸（这些化合物可在接触农药的人体体液中发现）用五氟苄基溴进行衍生化，并通过带有电子捕获检测的气相色谱进行表征。这些衍生物进一步通过正化学电离质谱、负化学电离质谱、核磁共振光谱以及气相色谱 - 傅里叶变换红外光谱进行表征。所有衍生物的负化学电离质谱都有一个源自母体分析物的阴离子基峰。在正模式下，未氯化的衍生物具有指示分析物的基峰，而氯化衍生物会裂解，以五氟苄基阳离子作为基峰。还探讨了在这些衍生化反应中邻位取代酚可能作为副产物形成的可能性。
