title: Fragmentation patterns of new esterified and unesterified aromatic 1-hydroxymethylene-1, 1-bisphosphonic acids by ESI-MSn.
abstract: 1-Hydroxymethylene-1,1-bisphosphonic acids (HMBPs) are compounds that have interesting pharmacological applications. Unfortunately few studies exist on their analyses by mass spectrometry (MS). In this work, we have analyzed new aromatic HMBPs and their prodrugs with electrospray tandem mass spectrometry (ESI-MS(n)). We describe, for the first time, a complete study of fragmentation patterns, in both positive and negative-ion modes. In positive mode, the cation dissociations are mainly elimination of water and phosphorus fragments. In negative mode, losses of ROH (R==H, C(6)H(5), CH(3)OC(6)H(5)) and HPO(2) were observed. The results have revealed specific structural fingerprints for the screening of these compounds in complex biological mixtures.
authors.affiliation: Laboratoire de Biochimie des Protéines et Protéomique, BioMoCéTi, Université Paris XIII, UMR CNRS 7033, 74 Rue Marcel Cachin, Bobigny cedex, France. hardouin@smbh.univ-paris13.fr
authors.forename: Julie
authors.initials: J
authors.lastname: Hardouin
authors.forename: Erwann
authors.initials: E
authors.lastname: Guénin
authors.forename: Maëlle
authors.initials: M
authors.lastname: Monteil
authors.forename: Michel
authors.initials: M
authors.lastname: Caron
authors.forename: Marc
authors.initials: M
authors.lastname: Lecouvey
mesh_terms: D050071:Bone Density Conservation Agents / Q000737:chemistry*; D004164:Diphosphonates / Q000737:chemistry*; D004353:Drug Evaluation, Preclinical; D015394:Molecular Structure; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods
chemical_list: D050071:Bone Density Conservation Agents; D004164:Diphosphonates; C029285:hydroxymethanediphosphonic acid