title: Isomer Separation of Polybrominated Diphenyl Ether Metabolites using nanoESI-TIMS-MS.
abstract: In this paper, high-resolution nano-electrospray ionization-trapped ion mobility spectrometry coupled to mass spectrometry (nESI-TIMS-MS) is used for the study of hydroxylated polybrominated diphenyl ether (OH-PBDE) metabolites. In particular, experimental ion-neutral collision cross sections (CCS) were measured for five structural OH-PBDE isomers using TIMS-MS. Candidate structures were proposed for each IMS band observed in good agreement with the experimental CCS measurements (5% error). The analytical power of TIMS-MS to baseline and partially separate structural isomers of OH-BDE in binary and ternary mixtures is shown for single charge species with a mobility resolving power of RIMS~ 400. This work provides the proof of concept for the analysis of low concentration OH-PBDE in environmental samples based on accurate collision cross section and mass measurements without the need for derivatization and pre-fractionation protocols, thus significantly reducing the cost and analysis time.
authors.affiliation: Department of Chemistry & Biochemistry, Florida International University, Miami, FL 33199, USA.
authors.forename: Kendra J
authors.initials: KJ
authors.lastname: Adams
authors.affiliation: Department of Chemistry & Biochemistry, Florida International University, Miami, FL 33199, USA.
authors.forename: Dennise
authors.initials: D
authors.lastname: Montero
authors.affiliation: Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, NY 14260, USA.
authors.forename: Diana
authors.initials: D
authors.lastname: Aga
authors.affiliation: Department of Chemistry & Biochemistry, Florida International University, Miami, FL 33199, USA; Biomolecular Science Institute, Florida International University, Miami, FL 33199, USA.
authors.forename: Francisco
authors.initials: F
authors.lastname: Fernandez-Lima