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Poster Presentations
Day 2, June 23（Mon.）
Room P (Maesato East, Foyer, Ocean Wing)
- 2P-AM-19
Parallel targeted and untargeted metabolite analysis of mouse plasma samples using a benchtop multi-reflecting time of flight mass spectrometer
(1Waters Corp, 2Liverpool Uni)
oJayne Kirk1, Adam King1, Lee Gethings1, Ian Wilson2
Metabolomic profiling of biological matrices can be targeted (quantifying known metabolites) or untargeted (identifying unknown molecules). Traditionally, these analyses are performed separately on different MS platforms due to their specific performance attributes. However, advancements in instrument sensitivity and scanning capabilities now allow both approaches on a single platform, reducing resource and sample volume requirements.
The Xevo MRT's fast-scanning capabilities enable the targeting of 65 amino acids and internal standards while generating high-quality untargeted data for biomarker discovery. Of these, 20 amino acids were fully quantifiable against stable isotopically labelled standards (SILS), and the remaining 40 were quantified against the SILS based on retention time. Amino acids were quantified over a 5–1000 µM range, with calibration curve linearity (R² > 0.99) and 67% of QC standards within 15% of the nominal concentration.
Simultaneously, untargeted data were processed using MZmine software for peak picking and normalization. Statistical analysis, including PCA and OPLS-DA, highlighted significant features between sample groups. Combining both acquisition approaches in a single analysis showed minimal compromise on data quality, maintaining high-resolution accurate mass untargeted analysis data.