Program

Poster Presentations

Day 2, June 11（Thu.）　　Room P (5F 501+502)

2P-40

PDF

Construction of a Multiplexed DIA-Based Workflow for Comprehensive Metabolite Analysis

(¹MKI, ²Nippon Sanso Corporation, ³Lipidome Lab)
^oYasuto Yokoi¹, Yuki Matsubara¹, Akari Ito¹, Aya Harasawa¹, Akari Ikeda², Masaki Ishikawa³, Takayo Ohto³, Hiroki Nakanishi³

Isotope-multiplex Py Tag® (Py0/Py6) derivatization improves detection of amine metabolites, but DDA often misses MS/MS for low-abundance species. We developed a DIA workflow on a Xevo G2 XS QTOF (ESI+ MSE) that extracts Py-tag fragments, groups MS1–MS2 chromatograms by similarity, and reconstructs deconvoluted, DDA-like MS2 spectra for identification and relative quantification in standards and human serum. Py Tag markedly boosted MS1 signals and the Δm/z 6 pair enabled single-run multiplexing. Mass-tag–guided grouping reduced DIA fragment mixing; for Py6-dopamine (m/z 334.074) key product ions yielded clean virtual MS2 spectra, and serum data produced numerous virtual spectra after redundancy reduction. Metabolite identification using reconstructed spectra is ongoing and will be presented. This derivatization×DIA×multiplexing strategy enables comprehensive, reproducible metabolite profiling. [1–3]

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