Littlejohn Callan, Li Meng, Lam Pui Yiu, Barrow Mark P, O'Connor Peter B
Department of Chemistry, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom.
AS CDT, Senate House, University of Warwick, Coventry CV4 7AL, United Kingdom.
J Am Soc Mass Spectrom. 2024 Dec 4;35(12):2984-2992. doi: 10.1021/jasms.4c00294. Epub 2024 Oct 25.
Two-dimensional mass spectrometry (2DMS) is a truly data-independent acquisition technique used in the analysis of complex mixtures; however, the nature of the noise within these spectra is not well understood. In this work, 2DMS is tested for conformity with the Fellgett principle: (signal/noise) ∝ √ (no. of data points). Since 2DMS functions through the modulation of ions through a fragmentation region across many scans, the individual scans are considered data points in this experiment. Random noise was shown to be prevalent as the main source of noise in this experiment with minor systematic noise. This means that the minimum size for a 2DMS spectrum that displays a target fragment ion can be determined using a fast-2D equation detailed herein. The effects of existing denoising algorithms were also found to change the relationship between the signal-to-noise ratio and the scan numbers to be of a quasi-linear nature rather than the square root trend observed before denoising.
二维质谱法（2DMS）是一种用于分析复杂混合物的真正的数据非依赖型采集技术；然而，这些光谱中噪声的本质尚未得到充分理解。在这项工作中，对2DMS进行了测试，以验证其是否符合费尔盖特原理：(信号/噪声) ∝ √(数据点数)。由于2DMS通过在多次扫描中对穿过碎裂区域的离子进行调制来发挥作用，在本实验中，各个扫描被视为数据点。结果表明，随机噪声是本实验中主要的噪声来源，系统性噪声较小。这意味着，可以使用本文详述的快速二维方程来确定显示目标碎片离子的2DMS光谱的最小尺寸。还发现，现有去噪算法的效果会使信噪比与扫描次数之间的关系变为准线性，而非去噪前观察到的平方根趋势。
