USE OF LTQ-ORBITRAP DISCOVERY~(TM) MASS SPECTROMETER TO DIFFERENTIATE BETWEEN ~(3)H AND ~(35)Cl/~(37)Cl ISOTOPE PATTERN FOR METABOLITE IDENTIFICATION

摘要

1. The isotope pattern in ~(3)H-Baclofen (m/z 216) and ~(3)H-Mazindol (m/z 287) could be resolved at 30K with <3 ppm mass accuracy by FTMS. 2. HCD produced optimum fragment ions for both ~(3)H-Baclofen and ~(3)H-Mazindol (m/z 287). 3. PQD generated more low m/z fragemnts for ~(3)H-Baclofen than for ~(3)H-Mazindol 4. Mass Frontier predicted most of the ~(3)H-Baclofen and ~(3)H-Mazindol fragments, though some low m/z fragments generated by PQD for ~(3)H-Baclofen were not predicted by Mass Frontier. 5. The effect of heterocyclic rings on the fragments produced by PQD requires further investigation.