pyMS-Vis, an Open-Source Python Application for Visualizing and Investigating Deconvoluted Top-Down Mass Spectrometric Experiments: A Histone Proteoform Case Study.
James J PesaventoMegan S BindraUdayan DasSarah R RommelfangerMowei ZhouLjiljana Paša-TolićJames G UmenPublished in: Analytical chemistry (2024)
We report the development of an open-source Python application that provides quantitative and qualitative information from deconvoluted liquid-chromatography top-down mass spectrometry (LC-TDMS) data sets. This simple-to-use program allows users to search masses-of-interest across multiple LC-TDMS runs and provides visualization of their ion intensities and elution characteristics while quantifying their abundances relative to one another. Focusing on proteoform-rich histone proteins from the green microalga Chlamydomonas reinhardtii , we were able to quantify proteoform abundances across different growth conditions and replicates in minutes instead of hours typically needed for manual spreadsheet-based analysis. This resulted in extending previously published qualitive observations on Chlamydomonas histone proteoforms into quantitative ones, leading to an exciting new discovery on alpha-amino termini processing exclusive to histone H2A family members. Lastly, the script was intentionally developed with readability and customizability in mind so that fellow mass spectrometrists can modify the code to suit their lab-specific needs.
Keyphrases
- liquid chromatography
- mass spectrometry
- dna methylation
- high resolution mass spectrometry
- high resolution
- simultaneous determination
- tandem mass spectrometry
- high performance liquid chromatography
- health information
- gas chromatography
- solid phase extraction
- small molecule
- electronic health record
- high throughput
- big data
- magnetic resonance imaging
- systematic review
- gene expression
- magnetic resonance
- contrast enhanced ultrasound
- living cells
- single molecule
- randomized controlled trial
- ms ms