石油芳烃组分中未知化合物——三叔丁基苯基磷酸酯的高分辨质谱分析

Identification of Tris(2,4-di-tert-butylphenyl) Phosphate in Petroleum Aromatics by FT-ICR MS with Multiple Ionization Techniques

将大气压光电离(APPI)、电喷雾(ESI)、实时直接分析(DART)多种电离源和傅立叶变换离子回旋共振质谱(FT-ICR MS)联用对石油芳烃样品中的未知化合物进行研究。通过高分辨质谱的精确质量,结合碰撞诱导解离(CAD)技术,经分析并与文献标准物质谱图比对,推断未知物为三(2,4-二-叔丁基苯基)磷酸酯(TDTBPP),并研究了其在不同大气压电离源中的电离特性。APPI谱图中主要为[M+H]^+峰,同时存在M.^+峰。ESI谱图中主要为[M+Na]^+(不加甲酸)或[M+NH4]^+峰(加甲酸)。DART谱图中主要为[M+NH4]^+峰,而EI谱图中基峰为m/z 57(叔丁基),次强峰为[M-CH3]^+峰。

An unknown compound in petroleum aromatics was analyzed by Fourier transform ion cy- clotron resonance mass spectrometry （FT -ICR MS） coupled with atmospheric pressure photoioniza- tion（APPI）, electrospray ionization（ESI） and direct analysis in real time（DART） ionization. It was determined as tris（2, 4-di-tert-butylphenyl）phosphate （TDTBPP） by the accurate mass of FT- ICR MS and collision-activated dissociation（CAD）. The characteristic spectra of TDTBPP in multiple ion- ization sources were demonstrated. The result indicated that the main mass peak in APPI was [ M ＋ H] ＋ , and M＋ was also present. The main mass peak in ESI was [ M ＋ Na] ＋ （without formic acid） or [ M ＋ NH4 ] ＋ （with formic acid）, and the main mass peak in DART was [ M ＋ NH4 ] ＋. APPI FT- ICR MS could be used to determine the polycyclic aromatic hydrocarbons（PAHs） with relatively higher molecular weight which could not be determined by gas chromatography -mass spectrometry.