Journal of the Mass Spectrometry Society of Japan
Online ISSN : 1880-4225
Print ISSN : 1340-8097
ISSN-L : 1340-8097

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Visual Analytics of Repeating Structures Using Mass Spectrometry
Shinichi MUKOSAKAKanae TERAMOTOHideki KOIKE
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JOURNAL FREE ACCESS Advance online publication

Article ID: 11-34

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Abstract
Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) is widely used for analysis of not only biological materials but also synthetic polymers. A mass spectrum obtained by MALDI-MS was found to have peaks at equal intervals on the m/z axis. The chemical structure of many types of biological compounds contain repeating units that have exactly the same elemental composition. If these repeated peaks could be identified based on the m/z interval value, such analyses could be optimized even further from the point of view of chemical structure. In this study, we describe a system for visualizing such data that has the capability of analyzing the repeated peaks on the m/z axis. The system, mzRepeat, was developed and evaluated by applying the mass spectrum of polyethylene glycol and mycolic acid, which was obtained using a JMS-S3000 Spiral-TOFMS system. Because mzRepeat can systematically show a mass spectrum that includes different numbers of repeating units, it has the potential for use in anlalyzing these types of molecules.
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© 2012 by The Mass Spectrometry Society of Japan
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