Exploring the Impact of Part Per Billion Mass Accuracy for Metabolite Identification using Multi Reflecting Time of Flight MS with UPLC™ Part B
Over a 24-hour period LC-MS accurate mass measurement performance in negative ion electrospray (ES-) mode has been assessed using a SELECT SERIES Multi Reflecting Time-of-Flight (MRT) mass spectrometer, for the identification of multiple pharmaceutical therapeutic drugs and corresponding metabolites. An RMS error of 761 part-per-billion (ppb) has been obtained for 1813 metabolite detections, along with ppb mass accuracy for MSE data independent analysis (DIA) fragment ions.
Precursor and fragment ion ppb accurate mass measurement has been obtained routinely and metabolite identification performed using stringent post detection data processing tolerances. PPB mass accuracy enhances confidence in identification of small molecule metabolite species detected for the urinary screening analysis undertaken.
