Resolution of 11 000 compositionally distinct components in a single Electrospray ionization Fourier transform ion cyclotron resonance mass spectrum of crude oil
Resolution of 11 000 compositionally distinct components in a single Electrospray ionization Fourier transform ion cyclotron resonance mass spectrum of crude oil
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DOI：
10.1021/ac020146b
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发表时间：
2002-08-15
影响因子：
7.4
通讯作者：
Marshall, AG
中科院分区：
文献类型：
--
作者：
Hughey, CA;Rodgers, RP;Marshall, AG
质谱法非常适合于复杂的混合物分析，因为与其他类型的光谱学不同，每个分析物的质谱峰数为1阶。在这里，我们显著地扩展了在单个步骤中分解和识别化学不同组分数量的上限。具体来说，电喷雾只选择性地电离南美洲原油样品中的基本化合物（即整个化学成分的一小部分）。然而，它们的正离子傅里叶变换离子回旋共振质谱（平均质量分辨能力在225到1000 Da之间接近35万）包含超过11 100个可分辨的峰，其中约75%可以分配给一个独特的元素组成（CcHhOoNnSs）。大规模膨胀和图形表示显示杂原子增加。多样性，芳香环和烷基取代随着质量的增加。这些结果树立了一个新的标准，说明了高分辨率质谱分析成分复杂的化学混合物的潜力。
Mass spectrometry is well-suited for complex mixture analysis, because unlike other types of spectroscopy, the number of mass spectral peaks per analyte is of order one. Here, we extend significantly the upper limit for the number of chemically distinct components resolved and identified in a single step. Specifically, electrospray selectively ionizes only the basic compounds (i.e., a small fraction of the entire chemical composition) in a sample of South American crude oil. Nevertheless, their positive ion Fourier transform ion cyclotron resonance mass spectrum (average mass resolving power of similar to350 000 from 225 to 1000 Da) contains more than 11 100 resolved peaks, of which >75% may be assigned to a unique elemental composition (CcHhOoNnSs). Mass scale expansion and graphical representations reveal increased heteroatom. diversity, aromatic rings, and alkyl substitution with increased mass. These results set a new standard and illustrate the potential of high-resolution mass spectrometry for analysis of compositionally complex chemical mixtures.