Abstract

Table of contents
Plenary Lectures
Award Lecture
Oral Sessions Day1, Day2, Day3
Poster Presentations Day1, Day2, Day3
Workshops
Luncheon Seminar Day 1, Day 2, Day 3
Timetable

Oral Sessions

Day 3: Friday, May 16　10:00-10:20　Room A (Orbit Hall)

3A-O1-1000　　PDF

Non-targeted analysis software for metabolomics and lipidomics research by means of data dependent/independent MS/MS

(1RIKEN CSRS, 2Osaka Univ., 3UC Davis, 4Keio Univ., 5Reifycs, 6NIG)
oHiroshi Tsugawa1,2, Kind Tobias3, Cajka Tomas3, Kazutaka Ikeda4, Mitsuhiro Kanazawa5, Atsushi Ogiwara5, Fiehn Oliver3, Masanori Arita1,6

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.