| Title: | Structural elucidation of disinfection by-products in treated drinking water |
| Address: | "Ministry of the Environment, Laboratory Services Branch, Etobicoke, ON, M9P 3V6, Canada. vince.taguchi@ene.gov.on.ca" |
| Journal Title: | Rapid Commun Mass Spectrom |
| ISSN/ISBN: | 0951-4198 (Print) 0951-4198 (Linking) |
| Abstract: | "Two unusual disinfection by-products have been detected periodically in the gas chromatography/mass spectrometry (GC/MS) characterization analyses of semi-volatile organics in treated drinking water. The electron ionization (EI) mass spectra contained mono-chlorinated and mono-brominated ions at m/z 107/109 and 151/153, respectively. Library searching techniques suggested mono-halogenated butanol structures but no matches could be found. Positive ion chemical ionization (CI) spectra contained mono-chlorinated and mono-brominated ions at m/z 105/107 and 149/151, respectively. No [M + H]+ ions were initially observed. Accurate mass measurements confirmed the empirical formulae for the significant ions in the EI spectra and the mono-halogenated butanol structures. Further CI experiments with other reagent gases and instruments revealed possible molecular weights of 139 and 183 Da, respectively. Tandem mass spectrometry (MS/MS) experiments in EI and CI were used to elucidate the fragmentation schemes. The two compounds have been tentatively identified as 1-aminoxy-1-chlorobutan-2-ol and 1-aminoxy-1-bromobutan-2-ol, respectively" |
| Keywords: | "1-Butanol/*chemistry/isolation & purification Butanols Chlorobutanol/analogs & derivatives/*chemistry/isolation & purification Chromatography, Gas Disinfectants/chemistry/therapeutic use Disinfection/*methods Molecular Structure Spectrometry, Mass, Electr;" |
| Notes: | "MedlineTaguchi, V Y eng Comparative Study England 2001/03/27 Rapid Commun Mass Spectrom. 2001; 15(7):455-61. doi: 10.1002/rcm.253" |
