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A Method for Analyzing A + 2 Isotope Patterns for Use in Undergraduate Organic Courses
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Abstract
A new method for analyzing the characteristic molecular-ion peak intensities found in the low-resolution mass spectra of compounds that contain small numbers of bromine, chlorine, and sulfur atoms has been developed. The method determines the subscripts of Br, Cl, and S in the molecular formulas of compounds that contain these atoms. The method depends on the intensity of each significant molecular-ion peak falling within a predictable range of values relative to the intensity of the parent peak. The use of a range of values sets this method apart from earlier methods. This method has a ninety-eight percent accuracy record for the determination of 21 different combinations of Br, Cl, and S atoms when the intensity of the parent peak is more than 3.5%. The intensity ratios for these 21 combinations were placed on a spreadsheet, producing an isotope-pattern analyzer designed specifically for use in organic qualitative analysis at the undergraduate level. The method affords students and instructors a useful tool for rapidly assessing the Br, Cl, S stoichiometry of an unknown from its mass spectrum.
Keywords (Audience):
Upper-Division UndergraduateKeywords (Domain):
Organic ChemistryKeywords (Pedagogy):
Computer-Based LearningKeywords (Subject):
BromineTools
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- Received: August 03, 2009
ACS
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