title: Tandem mass spectrometric analysis of glyphosate, glufosinate, aminomethylphosphonic acid and methylphosphinicopropionic acid.
abstract: A detailed MS(n) study of glyphosate, glufosinate and their main metabolites, aminomethylphosphonic acid and methylphosphinicopropionic acid, using an ion trap mass spectrometer, was performed. The analytes show good response in negative ion electrospray mass spectrometry (ES-MS) as [M-H](-) ions. Tandem-MS spectra reveal a wealth of structurally specific ions, allowing characterisation of the fragmentation pathways of the four analytes in their native form for the first time. The ions formed at each stage of fragmentation reveal ions common to each analyte, such as phosphinate, as well as analyte specific transitions. Simplex optimisation allows optimum trapping and fragmentation parameters to be determined leading to improved response for particular transitions and transition sequences, and revealing previously unseen ions.
authors.affiliation: Chemistry Department, University of York, Heslington, York YO10 5DD, UK.
authors.forename: Lee
authors.initials: L
authors.lastname: Goodwin
authors.forename: James R
authors.initials: JR
authors.lastname: Startin
authors.forename: David M
authors.initials: DM
authors.lastname: Goodall
authors.forename: Brendan J
authors.initials: BJ
authors.lastname: Keely
mesh_terms: D005998:Glycine / Q000031:analogs & derivatives* / Q000032:analysis*; D006540:Herbicides / Q000032:analysis*; D007202:Indicators and Reagents; D007555:Isoxazoles; D013058:Mass Spectrometry; D063065:Organophosphonates / Q000032:analysis*; D009943:Organophosphorus Compounds / Q000032:analysis; D011422:Propionates / Q000032:analysis; D013777:Tetrazoles; D000097797:Glyphosate
chemical_list: D005998:Glycine; D006540:Herbicides; D007202:Indicators and Reagents; D007555:Isoxazoles; D063065:Organophosphonates; D009943:Organophosphorus Compounds; D011422:Propionates; D013777:Tetrazoles; D000097797:Glyphosate; C474431:methylphosphinicopropionic acid; C418233:2-amino-3-(3-hydrox-5(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl)propionic acid