HiResTEC: Non-Targeted Fluxomics on High-Resolution Mass-Spectrometry Data

Identifying labeled compounds in a 13C-tracer experiment in non-targeted fashion is a cumbersome process. This package facilitates such type of analyses by providing high level quality control plots, deconvoluting and evaluating spectra and performing a multitude of tests in an automatic fashion. The main idea is to use changing intensity ratios of ion pairs from peak list generated with 'xcms' as candidates and evaluate those against base peak chromatograms and spectra information within the raw measurement data automatically. The functionality is described in Hoffmann et al. (2018) <doi:10.1021/acs.analchem.8b00356>.

Getting started

Package details

AuthorJan Lisec [aut, cre], Friederike Hoffmann [aut]
MaintainerJan Lisec <jan.lisec@bam.de>
URL https://pubs.acs.org/doi/10.1021/acs.analchem.8b00356
Package repositoryView on CRAN
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HiResTEC documentation built on June 18, 2019, 5:04 p.m.