title: Identification of dimethyldioctadecylammonium ion (m/z 550.6) and related species (m/z 522.6, 494.6) as a source of contamination in mass spectrometry.
abstract: Chemical contamination can be one of the more common problems encountered when performing trace-level analysis regardless of the analytical technique. Minimizing or eliminating background interferences can be a difficult task, so knowledge of the chemical composition of these contaminants can prove invaluable when it comes to identifying the source. Once the source is identified, proper steps may be taken to reduce or eliminate it. In this study, we report the identity of some commonly seen contaminants (m/z 550.6, 522.6, and 494.6) in electrospray ionization (ESI) mass spectrometry (MS). Through MS, tandem MS, accurate-mass, and high-resolution measurements we have identified these background contaminants as being quaternary ammonium species that contain long-chain hydrocarbon groups, where m/z 550.6 is a dimethyldioctadecylammonium ion (C(18), C(18)) and m/z 522.6 and 494.6 are similar in nature but have shorter alkyl-chain groups. The lipophilic nature of these compounds and the fact that they have molecular weights similar to lysophospholipids make them a frequent contaminant in lipidomic studies. The likely sources of these compounds are commonly used personal and household products.
authors.affiliation: Department of Chemistry, Mass Spectrometry Research Center, Vanderbilt University School of Medicine, Nashville, Tennessee 37232-8575, USA.
authors.forename: M Lisa
authors.initials: ML
authors.lastname: Manier
authors.forename: D Shannon
authors.initials: DS
authors.lastname: Cornett
authors.forename: David L
authors.initials: DL
authors.lastname: Hachey
authors.forename: Richard M
authors.initials: RM
authors.lastname: Caprioli
mesh_terms: D016477:Artifacts; D004340:Drug Contamination; D000644:Quaternary Ammonium Compounds / Q000032:analysis* / Q000737:chemistry*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D000644:Quaternary Ammonium Compounds; C015831:dimethyldioctadecylammonium