Fragmentation Outcome Modelling: Prototype software for prediction of CID fragment ions for small molecule structures

PO-CON1885E A novel algorithm for automating fragment ion structure assignment using high mass accuracy MS/MS data ASMS 2019 Neil Loftus1, Kirsten Hobby1, Alan Barnes1; 1 Shimadzu Corporation, Manchester, UK. A novel algorithm for automating fragment ion structure assignment using high…

Electron-Induced Dissociation (EID) as a complementary tool to collision induced dissociation (CID) for structural characterization of pesticides photo-oxidation products High resolution mass spectrometry (HR-MS) and tandem mass spectrometry (MS/MS) are essential tools for structural elucidation of unknown compounds such as…

Methods: HRAM fragmentation data was acquired on several hundred compounds which included both high energy collisional dissociation (HCD) and trap collision induced dissociation (CID). HCD MS2 data was acquired at incremented energies from 10 to 200% normalized to the mass…

Identification and Fragmentation of Sucralose Using Accurate-Mass Q-TOF LC/MS and Molecular Structure Correlator Software Application Note Food and Environmental Authors Abstract Imma Ferrer and E. Michael Thurman The use of Accurate-Mass Q-TOF LC/MS and MS/MS, in both positive and negative…