演題概要

オーラルセッション

第3日 5月16日(金) 10:00~10:20 A会場(オービットホール)

Data dependent/independent MS/MSを基盤としたメタボロミクス・リピドミクス研究に資するノンターゲット解析ソフトウェアの開発

(1理研CSRS2阪大院工3UC Davis4慶大先端生命研5ライフィクス6遺伝研)
o津川裕司1,2Tobias, Kind3Tomas, Cajka3池田和貴4金澤光洋5萩原淳5Oliver, Fiehn3有田正規1,6

We developed novel non-targeted software especially for LC-QTOF/MS based metabolomics and lipidomics research. Here, we focus on the lipidomics research with “SWATH” mode which is a kind of the data independent MS/MS analysis by means of AB Sciex TripleTOF 5600 system. Our strategy in order to extract the “pure” spectra from the complicated MS/MS information consists of two type de-convolution methods; “time-axis” and “sample-axis” de-convolution. This program supports the LipidBlast database which is in-silico MS/MS lipid library. The combination of dot-product and reverse search algorithm is utilized for the peak identification. The methodology of retention time prediction of all lipids included in LipidBlast database is also developed in this project.