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Updated: Aug 29, 2026

A Method for Measuring Metabolism in Sorted Subpopulations of Complex Cell Communities Using Stable Isotope Tracing
Published on: February 4, 2017
Isotopic compositions and accurate masses of single isotopic peaks
Alan L Rockwood1, Jordan R Van Orman, David V Dearden
1ARUP Institute for Clinical and Experimental Pathology, Salt Lake City, Utah 84108, USA. rockwoal@arupllab.com
Abstract:
This paper presents and proves an algorithm to calculate the isotopic composition of individual (nominal) isotopic peaks. From this information one can calculate the accurate masses of isotopic peaks. This opens the way to use accurate mass measurements to determine chemical compositions of compounds using non-mono-isotopic peaks. The algorithm is computationally efficient and rigorously correct in the absence of roundoff error. Highly effective error correction strategies are described to detect and correct computational errors arising in practical calculations. Results from theoretical calculations of isotopic masses for a krypton inclusion complex agreed well with experimental measurements.
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