用于FT-ICR质谱成像的高级质量校准和可视化
Advanced Mass Calibration and Visualization for FT-ICR Mass Spectrometry Imaging
摘要：
通过傅里叶变换离子回旋共振的质谱成像产生数百个独特的峰，其中许多峰不能被较低性能的质谱仪分辨。高质量准确度和高质量分辨能力允许直接从生物组织切片中可靠地鉴定小分子和脂质。在这里，傅里叶变换离子回旋共振质谱成像的校准策略进行了研究。在整个组织切片上证明了亚百万分之一质量精度。通过添加总离子丰度和相对离子丰度校正离子丰度波动，16，764个峰的均方根误差为0.158 ppm。提出了一种高分辨率傅里叶变换离子回旋共振质谱成像数据可视化的新方法。Mosaic Data-cube提供了一种灵活的方法，可以在0.001道尔顿的质谱箱宽度处可视化整个质量范围。高分辨率镶嵌数据立方体解决了在较低的bin宽度不可见的光谱特征，同时保留了所讨论的校准方法的高质量精度。
英文摘要：
Mass spectrometry imaging by Fourier transform ion cyclotron resonance 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 Fourier transform ion cyclotron resonance mass spectrometry imaging were investigated. Sub parts-per-million mass accuracy is demonstrated over an entire tissue section. Ion abundance fluctuations are corrected for 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 Fourier transform ion cyclotron resonance mass spectrometry imaging data at high resolution is presented. The Mosaic Data-cube provides a flexible means to visualize the entire mass range at a mass spectral bin width of 0.001 Dalton. The high resolution Mosaic Data-cube resolves spectral features not visible at lower bin widths, while retaining the high mass accuracy from the calibration methods discussed.
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