Aerith: Visualization and Annotation of Isotopic Enrichment Patterns of Peptides and Metabolites with Stable Isotope Labeling from Proteomics and Metabolomics.

ABSTRACT: Stable isotope probing (SIP) traces the metabolism of biological cells using isotopically heavy substrates (e.g., ¹³C, ¹⁵N, or ²H). Confident identification of the metabolic products of isotopic labeling remains a challenge due to the difficulties in simulating, visualizing and annotating the isotopic patterns of partially labeled peptides and metabolites found in mass spectrometry (MS) data. Here, we present Aerith, an R package designed to visualize data of simulated and observed isotopic envelopes of peptides and metabolites with user-defined formula and atom % enrichment levels. Aerith models the isotopic distributions of the fragment ion series of a peptide by sequentially convoluting isotopic envelopes of monomeric units using a convolution algorithm.

SUBMITTER: Xiong Y 

PROVIDER: S-EPMC12631728 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature