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AN ION CORRELATION PROGRAM FOR DECONVOLUTING COMPOSITE MASS SPECTRA ACQUIRED USING A DIRECT SURFACE IONIZATION SOURCE INTERFACED TO A TIME-OF-FLIGHT MASS SPECTROMETER
Citation:
GRANGE, A. H., R. B. CODY, AND G. SOVOCOOL. AN ION CORRELATION PROGRAM FOR DECONVOLUTING COMPOSITE MASS SPECTRA ACQUIRED USING A DIRECT SURFACE IONIZATION SOURCE INTERFACED TO A TIME-OF-FLIGHT MASS SPECTROMETER. Presented at Pittcon Conference, Orlando, FL, March 12 - 17, 2006.
Impact/Purpose:
Provide state-of-the-science sampling, analysis, separation, and detection methods to allow rapid, accurate field and laboratory analyses of contaminated soils, sediments, biota, and groundwater to support Superfund clean-up decisions. Apply state-of-the-science methods in chemical analysis and data interpretation (e.g., mass spectral interpretation) to actual problems of OSWER, the Regions, and the States, in cooperation with the Las Vegas Technical Support Center as well as by direct contacts with Regional and State employees. Provide technical advice and guidance to OSWER using the environmental chemistry expertise (e.g., mass spectrometry, analytical methods development, clean-up methodology, inorganics, organometallics, volatile organics, non-volatile organics, semi-volatile organics, separation technologies, etc.) found within the branch.
Technical research support for various projects initiated either by Regions/Program Offices or ECB scientists. While these efforts will support the Regions and Program Offices, they cannot be predicted or planned in advance, and may serve multiple duty (e.g., solve real-world problems, serve to ground-truth analytical approaches that ECB is developing, transfer new technology). Many of the activities in this task support requests involving enforcement decisions and therefore are categorized as "environmental forensics".
Description:
The rapid sampling provided by the DART in ambient air will allow rapid delineation of areas of dispersed chemicals after natural or man-made disasters. Exact masses and RIAs of dimer, precursor, and product ions measured by the oa-TOFMS entered dinto the Ion Correlation Program to provide ion and neutral loss compositions will enable identification of one or more chemicals associated with such an event without recourse to time and labor intensive sample extraction, clean-up, and chromatographic separation. Deconvolution of mass spectra will also provide cleaner mass spectra for comparison with a mass spectral library after one is compiled.
The research described in the abstract for this poster has been published in Grange, AH: Zumwalt, MC; Sovocool, GW "Determination of Ion and Neutral Loss Compositions and Deconvolution of Product Ion Mass Spectra Using an Orthogonal Acceleration, Time-of-Flight Mass Spectrometer and an Ion Correlation Program" Rapid Commun. Mass Spectrom., 2006, 20, 89-102. The contents of this poster present our most current work.