ポスター発表
- 第2日 5月16日（火） P会場（ホワイエ，会議室1004-1007）
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2P-21 PDF
ターゲット-ノンターゲット連携メタボロミクス解析プラットフォームの構築
Targeted metabolomics that is a technique aimed at revealing a variation of specific metabolites has primarily utilized SRM/MRM. However, overlapping chromatogram peaks due to co-elution of components and fluctuations in chromatogram peak retention times have made simultaneous quantitative analysis of multiple samples difficult. In addition, non-targeted metabolomics using DDA etc. with high-resolution mass spectrometry is also needed to identify diverse isomers. Here, we developed MetaboAlign that enables interactable targeted and non-targeted analysis using multiple measurement methods. MetaboAlign has four main features. First, quantification analysis of targeted metabolites by not only dataset from SRM but also from DDA, PRM, DIA, Full Scan calculating chromatogram peaks defined in channel file is executable. Second, an effective alignment algorithm that correct fluctuations of retention time among multiple data has achieved accurate and high-throughput quantitative analysis of targeted metabolome for large number of samples. Third, a variety of user-friendly functions including a peak list with flexible sorting and filtering using various indexes, charts for visual confirmation and manipulation of area and retention time discrepancies, etc. enables researchers efficient validation for quantification results. Finally, integration with LipidSearch5.1 has achieved accurate attribution to chromatographic peaks on channels in which many isomer peaks are mixed.