The app is intended for lipidomics data, however can be used for other mass spectrometry datasets. It picks out deuterium-labeling peaks based on input values from the user. This list of labeled peaks can then be mass-adjusted to remove the additional mass of the deuterium label. For lipidomics data, the lipid species can then be identified using integrated LiPydomics software. Internal standards can be selected from the peak list and structures can be provided for identified lipids.

See owner's GitHub repository for more information: https://github.com/nreimers99/d-tracer.

This app is based on the paper:

Reimers, Noelle, Do, Quynh, Zhang, Rutan, Guo, Angela, Ostrander, Ryan, Shoji, Alyson, Vuong, Chau, & Xu, Libin. Tracking the Metabolic Fate of Exogenous Arachidonic Acid in Ferroptosis Using Dual-Isotope Labeling Lipidomics. Journal of the American Society for Mass Spectrometry, 34 (9). https://doi.org/10.1021/jasms.3c00181

This application was not uploaded by the author, but through their publicly available Github repository, https://github.com/nreimers99/d-tracer.

MIT License

Copyright (c) 2022 nreimers99