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In mass spectrometry (MS)-based metabolite annotation, the prediction of theoretical elemental compositions from accurate mass is effective to support database search results or annotation for unknown metabolites. However, there are deviations (error) from the accurate mass such that accurate estimation of elemental composition may not be possible. A technique to label the biological sample with a stable isotope is effective to solve this problem, but the software for handling labeled MS datadoi:10.5511/plantbiotechnology.14.0609c fatcat:n6fpp7ejtbdlved4b7sz2ebjqy