Stratton T, Ding C, Henrich C, Grensemann H, Pfaff H, Strohalm M, Kusch S.
ASMS 2013 Poster
Purpose: Demonstrate a workflow for metabolite detection and structure elucidation
combining HRAM (high-resolution, accurate-mass) HCD MS2 with a new customizable
processing workflow using orthogonal metabolite detection tools to direct multiple
fragmentation mode MSn acquisition.
Methods: Samples of human urine, post-kidney operation, were analyzed by rapid
HRAM HCD MS2 for peak detection. Potential metabolite peaks were acquired by
multiple-fragment-mechanism MSn for structure identification where an HCD MS2 scan
was followed by multiple CID MS3 fragmentation scans.
Results: Multiple metabolites for each of four co- and serially administered drugs
commonly used during surgery were detected and identified.
Thermo Fisher Scientific
United States
