Advanced Mass Calibration and Visualization for FT-ICR Mass Spectrometry Imaging
Advanced Mass Calibration and Visualization for FT-ICR Mass Spectrometry Imaging
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DOI：
10.1007/s13361-012-0464-1
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发表时间：
2012-11-01
影响因子：
3.2
通讯作者：
Heeren, Ron M. A.
中科院分区：
文献类型：
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作者：
Smith, Donald F.;Kharchenko, Andriy;Heeren, Ron M. A.
傅里叶变换离子回旋共振（FT-ICR）质谱成像产生数百个独特的峰，其中许多不能被较低性能的质谱仪解决。高质量精度和高质量分辨率允许直接从生物组织切片确定小分子和脂质。本文研究了FT-ICR MS成像的校准策略。在整个组织切片上展示了百万分之一的质量精度。离子丰度波动通过添加总离子丰度和相对离子丰度来校正，在16,764个峰上的均方根误差为0.158 ppm。提出了一种高分辨率FT-ICR MS成像数据可视化的新方法。“马赛克数据立方体”提供了一种灵活的方法，可以在0.001 Da的质谱仓宽度上可视化整个质量范围。高分辨率的Mosaic Datacube解决了在较低宽度下不可见的光谱特征，同时保留了所讨论的校准方法的高质量精度。
Mass spectrometry imaging by Fourier transform ion cyclotron resonance (FT-ICR) yields hundreds of unique peaks, many of which cannot be resolved by lower performance mass spectrometers. The high mass accuracy and high mass resolving power allow confident identification of small molecules and lipids directly from biological tissue sections. Here, calibration strategies for FT-ICR MS imaging were investigated. Sub-parts-per-million mass accuracy is demonstrated over an entire tissue section. Ion abundance fluctuations are corrected by addition of total and relative ion abundances for a root-mean-square error of 0.158 ppm on 16,764 peaks. A new approach for visualization of FT-ICR MS imaging data at high resolution is presented. The "Mosaic Datacube" provides a flexible means to visualize the entire mass range at a mass spectral bin width of 0.001 Da. The high resolution Mosaic Datacube resolves spectral features not visible at lower bin widths, while retaining the high mass accuracy from the calibration methods discussed.