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Ion Composition Elucidation (ICE)  

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Publications Pertaining to Ion Composition Elucidation (ICE)

Grange, Andrew H. Semi-quantitative Analysis of Contaminants in Soils by Direct Analysis in Real Time (DART®) Mass Spectrometry Rapid Commun (PDF) [24 pp, 271KB]. in Mass Spectrom. 27, 305-318.

Grange, A. H. and Sovocool, G. W. "Detection of Illicit Drugs on Surfaces Using Direct Analysis in Real Time (DART) Time-of-Flight Mass Spectrometry (PDF)" [23 pp, 159KB], Rapid Commun. Mass Spectrom. 2011, 25, 1271-1281.

Grange, A.H. “Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry (PDF)[21 pp, 1.01MB], Environmental Forensics 2009, 10, 183-195.

Grange, A.H. and Sovocool, W.G. "Automated Determination of Precursor Ion, Product Ion, and Neutral Loss Compositions and Deconvolution of Composite Mass Spectra Using Ion Correlation Based on Exact Masses and Relative Isotopic Abundances (PDF)" [23 pp, 219KB], Rapid Commun. Mass Spectrom. 2008, 22, 2375-2390.

Grange, A.H. "An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air (PDF)" [15 pp, 320KB], Environmental Forensics 2008, 9, 127-136.

Grange, A.H. "An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a DART®/oa-TOFMS (PDF)" [10 pp, 244KB], Environmental Forensics 2008, 9, 177-143.

Andrew H. Grange and G. Wayne Sovocool "Identification of Compounds in Water above a Pollutant Plume by High Resolution Mass Spectrometry" (PDF) Environmental Forensics, 2007, 8, 391-404 (37 pp, 783KB)

Grange, A.H.; Zumwalt, M.C.; Sovocool, G.W. "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. in Mass Spectrometry, 2006, 20, 89-102 View manuscript, figures, and tables

Grange, A.H.; Winnik, W.; Ferguson, P.L.; Sovocool, G.W. "Using a Triple Quadrupole Mass Spectrometer in Accurate Mass Mode and an Ion Correlation Program to Identify Compounds" Rapid Commun. in Mass Spectrometry, 2005, 19, 2699-2715. View manuscript, figures, and tables

Grange, A.H.; Osemwengie, L.I.; and Sovocool, G.W. “Identifying Compounds Despite Chromatographic Limitations: Organophosphates in Treated Sewage" LC-GC, 2003, 21, 1062, 1064, 1066, 1068, 1070-1072, 1074, 1076 View manuscript, figures, and tables

Grange, A.H. and Sovocool, G.W. “Identification of Unanticipated Compounds by High Resolution Mass Spectrometry" Spectroscopy, 2003, 18, 12, 14, 16, 18, 20, 22, 24 View manuscript, figures, and tables

Grange, A.H.; Genicola, F.A.; Sovocool, G.W. “Utility of Three Types of Mass Spectrometers for Determining Elemental Compositions of Ions Formed from Chromatographically Separated Compounds” Rapid Commun. Mass Spectrometry, 2002, 16, 2356- 2369. View manuscript, figures, and tables

Grange, A.H.; Osemwengie, L.; Brilis, G.; Sovocool, G.W. "Ion Composition Elucidation (ICE): An Investigative Tool for Characterization and Identification of Compounds of Regulatory Importance" International J. of Environmental Forensics, 2001, 2, 61-74. View manuscript, figures, and tables

Snyder, S.A.; Kelly, K.L.; Grange, A.H.; Sovocool, G.W.; Snyder, E.M.; Giesy, J.P. "Pharmaceuticals and Personal Care Products in the Waters of Lake Mead, Nevada" Pharmaceuticals and Personal Care Products in the Environment: Scientific and Regulatory Issues; Daughton, C.G. & Jones-Lepp, T., Eds.; Symposium Series 791, 2001, Amer. Chem. Soc.: Washington, DC, Ch. 7, 116-141.

Brumley, W.C.; Grange, A.H.; Kelliher, V.; Patterson, D.B.; Montcalm, A. "Environmental Screening of Acidic Compounds Based on Capillary Zone Electrophoresis/Laser-Induce Fluorescence Detection with Identification by Gas Chromatography/Mass Spectrometry and Gas Chromatography/High Resolution Mass Spectrometry"  J. AOAC Int'l., 2000, 83, 1059-1067. View manuscript, figures and tables

Grange, A.H.; Sovocool, G.W. "Identifying Endocrine Disruptors by High-Resolution Mass Spectrometry" Analysis of Environmental Endocrine Disruptors; Keith, H.K.; Jones, T.L.; Needham, L.L.; Eds., Symposium Series 747; 2000, Amer. Chem. Soc.:  Washington, DC, Ch. 9, 133-145. View manuscript, figures, and tables

Grange, A.H.; Sovocool, G.W. "Mass Peak Profiling from Selected Ion Recording Data  (MPPSIRD) as a Tool for Regulatory Analyses" J. AOAC Int'l, 1999, 82, 1443-1457. View manuscript, figures, and tables

Grange, A.H.; Sovocool, G.W. "Determination of Elemental Compositions by High Resolution  Mass Spectrometry Without Mass Calibrants" Rapid Commun. Mass Spectrom., 1999, 13, 673-686. View manuscript, figures, and tables

Grange, A.H.; Sovocool, G.W.; Donnelly, J.R.; Genicola, F.A.; Gurka, D.F. "Identification of Pollutants in a Municipal Well  Using High Resolution Mass Spectrometry" Rapid Commun. Mass Spectrom., 1998, 12, 1161-1169. View manuscript, figures, and tables

Grange, A.H.; Brumley, W.C.; Sovocool, G.W. "Powerful New Tools for Analyzing Environmental Contaminants: Mass Peak Profiling from Selected-Ion-Recording Data and a Profile Generation Model" American Environmental Laboratory, 1998, 10, 1,6-7. View manuscript, figures, and tables

Grange, A.H.; Brumley, W.C. "A Mass Peak Profile Generation Model to Facilitate Determination of Elemental Compositions of Ions Based on Exact Masses and Isotopic Abundances" J. Amer. Soc. for Mass Spectrom., 1997, 8, 170-182. View manuscript, figures, and tables

Grange, A.H.; Donnelly, J.R.; Brumley, W.C.; Sovocool, G.W. "Determination of Elemental Compositions from Mass Peak  Profiles of the Molecular Ion (M) M+1 and M+2 Ions" Anal. Chem., 1996, 68, 553-560. View manuscript, figures, and tables

Grange, A.H.; Brumley, W.C. "Mass Spectral Determination" Environmental Testing & Analysis, 1996, March/April, 22-26. View manuscript, figures, and tables

Grange, A.H.; Brumley, W.C. "Determining Elemental Compositions from Exact Masses and  Relative Abundances of Ions" Trends in Analytical Chemistry, 1996, 15(1), 12-17. View manuscript, figures, and tables

Grange, A.H.; Brumley, W.C. "Identification of Ions Produced from Components in a Complex Mixture Using Mass Peak Profiling" LC.GC, 1996, 14, 478-486. View manuscript, figures, and tables

Grange, A.H.; Donnelly, J.R.; Brumley, W.C.; Billets, S.; Sovocool, G.W. "Mass Measurements by an Accurate and Sensitive Selected Ion Recording Technique" Anal. Chem., 1994, 66, 4416-4421. View manuscript, figures, and tables

Grange, A.H.; Brumley, W.C. "Plotting Mass Peak Profiles from Selected-Ion Recording Data" Rapid Comm. in Mass Spectrom., 1992, 6, 68-70. View manuscript, figures, and tables

Analytical Environmental Chemistry
ICE Home Page

Environmental Sciences | Office of Research & Development
 National Exposure Research Laboratory
Author: Andrew Grange
Email: grange.andrew@epa.gov


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