Automated Broadband Phase Correction of Fourier Transform Ion Cyclotron Resonance Mass Spectra
Automated Broadband Phase Correction of Fourier Transform Ion Cyclotron Resonance Mass Spectra
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DOI：
10.1021/ac101091w
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发表时间：
2010-11-01
影响因子：
7.4
通讯作者：
Marshall, Alan G.
中科院分区：
文献类型：
--
作者：
Xian, Feng;Hendrickson, Christopher L.;Marshall, Alan G.
35年来人们已经知道，FTICR数据的相位校正原则上可以产生质量分辨能力比传统的幅度模式显示高出2倍的吸收模式光谱，否则这种改进需要（更昂贵的）增加磁场强度。然而，时间分散的激励，随后的时间延迟检测的结果在陡峭的二次变化的信号相位与频率。在这里，我们提出了一个强大的，快速的，自动化的方法，使准确的宽带相位校正质谱中的所有峰。低通数字滤波有效地消除了伴随的基线滚动。实验FTICR吸收模式质谱表现出至少高40%的分辨率（从而增加了数量的解析峰），以及更高的质量精度相对于幅度模式光谱，更完整和更可靠的元素组成分配的混合物复杂的石油。
It has been known for 35 years that phase correction of FTICR data can in principle produce an absorption-mode spectrum with mass resolving power as much as a factor of 2 higher than conventional magnitude-mode display, an improvement otherwise requiring a (much more expensive) increase in magnetic field strength. However, temporally dispersed excitation followed by time-delayed detection results in steep quadratic variation of signal phase with frequency. Here, we present a robust, rapid, automated method to enable accurate broadband phase correction for all peaks in the mass spectrum. Low-pass digital filtering effectively eliminates the accompanying baseline roll. Experimental FTICR absorption-mode mass spectra exhibit at least 40% higher resolving power (and thus an increased number of resolved peaks) as well as higher mass accuracy relative to magnitude mode spectra, for more complete and more reliable elemental composition assignments for mixtures as complex as petroleum.