A detailed MSn study on an ion trap instrument of the quaternary ammonium p
esticides paraquat, diquat, difenzoquat, mepiquat and chlormequat reveals a
number of ions not reported previously, and has allowed examination of the
fragmentation pathways. A number of transitions that are highly specific t
o each quat have been identified. Optimal ion trap operating conditions det
ermined using Simplex optimisation can promote either detection of a partic
ular fragmentation transition or a range of MS/MS product ions with a high
overall signal response. Thus, fragmentation conditions were optimised to e
nhance the specificity or sensitivity of MS/MS methods. Copyright (C) 2001
John Wiley & Sons, Ltd.