on 06-09-201505:01 AM - edited on 10-15-202111:21 AM by AnalyteGuru
Ding C, Stratton T, Pfaff H, Grensemann H, Ma J. ASMS 2015 Poster Purpose: Confident detection and profiling of metabolites with effective matrix background removal by employing 14C labeling and utilizing very high resolution mass spectrometry in one single workflow.
Methods: The parent compound in study is fully labeled with one 14C. Samples were prepared by incubating with RLM and NAPDH and collected at T0hr and T1hr time points. HRMS full scan followed by data dependent data were collected on the Thermo Scientific Orbitrap Fusion Tribrid mass spectrometer with 240k and 120k resolution respectively. Data analysis was done within Thermo Scientific Compound Discoverer 1.0 software using one single processing workflow. The workflow employed the Pattern Tracer node to extract out chromatographic traces from both time points representing 14C containing compounds, the Expected Finder node for targeted compound detection, and the Unknown Detector node for untargeted compound
Results: The Pattern Trace node in Compound Discoverer software effectively removed matrix background and revealed 14C containing compounds. Comparison of pattern traces between the two time points helped eliminate impurity compounds. Linking compound detection with the pattern traces to get m/z, isotope pattern and spectrum were nicely done by manual peak integration on the pattern trace. The manually integrated pattern trace peaks were automatically linked to detected compounds from targeted and untargeted mechanisms.