Nikolaev EN, Kostyukevich YI, Vladimirov GN. Routine part-per-million mass accuracy for high- mass ions: space-charge effects in MALDI FT-ICR. Optimal cyclotron radius for high resolution FT-ICR spectrometry. Ion mobility spectrometry-mass spectrometry (IMS-MS) of small molecules: separating and assigning structures to ions. The power of ion mobility-mass spectrometry for structural characterization and the study of conformational dynamics. Lanucara F, Holman SW, Gray CJ, Eyers CE. Kanu AB, Dwivedi P, Tam M, Matz L, Hill HH Jr. Electrospray and tandem mass spectrometry in biochemistry. Griffiths WJ, Jonsson AP, Liu S, Rai DK, Wang Y. Metabolomics applications of FT-ICR mass spectrometry. Rapid visualization of chemically related compounds using Kendrick mass defect as a filter in mass spectrometry imaging. Kune C, McCann A, La Rocca R, Arias AA, Tiquet M, Van Kruining D, et al. Molecular imaging of biological samples: localization of peptides and proteins using MALDI-TOF MS. High-spatial resolution mass spectrometric imaging of peptide and protein distributions on a surface. Luxembourg SL, Mize TH, McDonnell LA, Heeren RMA. A concise review of mass spectrometry imaging. Graphical abstractĪmstalden van Hove ER, Smith DF, Heeren RM. A recommended workflow, resulting from a comprehensive analysis, was successfully applied to several complex samples acquired on both MALDI ToF and MALDI FT-ICR instruments. ![]() Adapting the sample preparation, carefully selecting the data acquisition settings, and wisely applying post-processing methods (i.e., m/z realignment or individual m/z recalibration pixel by pixel) are key factors to lower the mass shift and to improve image quality and annotations. Mass shift 2D distributions were mapped to illustrate its effect and explore systematically its origin. Here, we report a critical analysis and recommendations to mitigate these sources of mass shift. Besides the intrinsic performances of the analyzer, the sample properties (local composition, thickness, matrix deposition) and the calibration method are sources of mass shift. ![]() This leads to low confidence annotations and biased localization in the image. The superposition of shifted masses from individual pixels peaks apparently degrades the resolution and the mass accuracy in the average spectrum. Mass shift, i.e., variations of the m/z of the same ion(s), may occur from one pixel to another. Single pixel mass spectra show the resolving power of the mass analyzer. In typical MSI, a spectrum is taken at incremental 2D coordinates (pixels) across a sample surface. MALDI mass spectrometry imaging (MSI) allows the mapping and the tentative identification of compounds based on their m/z value.
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