Bruce J E, Anderson G A, Brands M D, Pasa-Tolic L, Smith R D
Environmental and Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington, USA.
J Am Soc Mass Spectrom. 2000 May;11(5):416-21. doi: 10.1016/S1044-0305(00)00096-9.
Space-charge effects produce frequency shifts in Fourier transform ion cyclotron resonance (FTICR) mass spectrometry and correction for these shifts is necessary for obtaining accurate mass measurements. We report a novel method for obtaining accurate mass calibration to correct for space-charge induced mass shifts without the requirement for internal calibrants. The new approach is particularly well suited for electrospray ionization-FTICR mass spectra that contain multiple charge states of the same molecular species. This method, deconvolution of Coulombic affected linearity (DeCAL), is described and presented with several examples demonstrating the increased mass measurement accuracy obtained. DeCAL provides the basis for more routinely obtaining higher mass accuracy measurements in conjunction with chromatographic separations for complex mixture analysis, and obviates the need for internal calibration in many applications.
空间电荷效应会在傅里叶变换离子回旋共振（FTICR）质谱中产生频率偏移，为获得准确的质量测量结果，必须对这些偏移进行校正。我们报告了一种新方法，可在无需内部校准剂的情况下获得准确的质量校准，以校正空间电荷引起的质量偏移。这种新方法特别适用于包含同一分子物种多种电荷态的电喷雾电离 - FTICR质谱。本文描述了这种方法，即库仑影响线性去卷积（DeCAL），并通过几个例子展示了所获得的更高的质量测量精度。DeCAL为结合色谱分离更常规地获得更高质量精度测量提供了基础，用于复杂混合物分析，并且在许多应用中无需内部校准。
