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Positional 13C-enrichments were calculated by combining mean 13C-enrichments of multiple fragments that shared part of the same carbon backbone

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Calculations of 13C-Positional Enrichments

p2m2 web doi

13C-positional enrichments were calculated by combining mean 13C enrichments of several mass fragments that shared part of the carbon backbone from the same TMS derivative. A workflow has been created to calculate these 13C-positional enrichments directly from the outputs of our 13C-processing method

To use the software without prior installation and obtain a visual rendering, please visit the site https://p2m2.github.io/positional-carbon13-enrichment/

For a precise description of the method, refer to the publication "Evaluation of GC/MS-Based 13C-Positional Approaches for TMS Derivatives of Organic and Amino Acids and Application to Plant 13C-Labeled Experiments"

Software programming environment

Dependencies for HTML generation

command line

run tests

sbt test

Html

Development version

sbt fastOptJS::webpack
# open html/index.html

Release

sbt fullOptJS::webpack
cp target/scala-2.13/scalajs-bundler/main/positional-carbon13-enrichment-opt-bundle.js docs/
# open docs/index.html

Information about the authors and the software

Y. Dellero, O. Filangi, A . Bouchereau

This code is released under the MIT License.

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Positional 13C-enrichments were calculated by combining mean 13C-enrichments of multiple fragments that shared part of the same carbon backbone

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