Determination of the Deuterium Abundances in Water from 156 to 10,000 ppm by SIFT-MS

0359591 - ÚFCH JH 2012 RIV US eng J - Journal Article
Španěl, Patrik - Shestivska, Violetta - Chippendale, T. W. E. - Smith, D.
Determination of the Deuterium Abundances in Water from 156 to 10,000 ppm by SIFT-MS.
Journal of the American Society for Mass Spectrometry. Roč. 22, č. 1 (2011), s. 179-186. ISSN 1044-0305. E-ISSN 1879-1123
Institutional research plan: CEZ:AV0Z40400503
Keywords : deuterium abundance * total body water * selected ion flow tube mass spectrometry
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.002, year: 2011

In response to a need for the measurement of the deuterium (D) abundance in water and aqueous liquids exceeding those previously recommended when using flowing afterglow mass spectrometry (FA-MS) and selected ion flow tube mass spectrometry (SIFT-MS) (i.e. 1000 parts per million, ppm), we have developed the theory of equilibrium isotopic composition of the product ions on which these analytical methods are based to encompass much higher abundances of D in water up to 10,000 ppm (equivalent to 1%). This has involved an understanding of the number density distributions of the H, D, O-16, O-17 and O-18 isotopes in the isotopologues of H3O+(H2O)(3) hydrated ions (i.e. H9O (4) (+) cluster ions) at mass-to-charge ratios (m/z) of 73, 74 and 75, the relative ion number densities of which represent the basis of FA-MS and SIFT-MS analyses of D abundance.
Permanent Link: http://hdl.handle.net/11104/0197349