DO-MS

DO-MS optimizes liquid chromatography-tandem mass spectrometry (LC-MS/MS) acquisition and diagnostics for bottom-up and single-cell proteomics (including SCoPE-MS), enabling identification and resolution of factors that reduce MS2 ion sampling and signal intensity.


Key Features:

  • Multi-level data integration: Integrates data across all levels of bottom-up LC-MS/MS analysis to provide comprehensive diagnostics.
  • Interactive visualization techniques: Employs interactive visualization techniques to diagnose performance issues in LC-MS/MS workflows.
  • Diagnostic scope: Diagnoses contributors to low MS2 signal including inadequate liquid chromatography separation, ionization inefficiencies, suboptimal elution apex targeting, ion transfer problems, and poor ion detection.
  • Elution apex optimization: Facilitates targeted optimization of elution peak apex sampling to improve apex targeting and ion accumulation times.
  • Performance gains: Enables increases in ion delivery for MS2 analysis of up to 370% through optimized apex sampling and enhanced ion accumulation.
  • Single-cell proteomics compatibility: Applied to single-cell proteomics by mass spectrometry (SCoPE-MS) workflows as well as general bottom-up proteomics.
  • Complementary to MaxQuant: Complements outputs from software such as MaxQuant by providing integrated visualization and diagnostics for LC-MS/MS data.

Scientific Applications:

  • Single-cell proteomics (SCoPE-MS): Diagnose and optimize LC-MS/MS acquisition parameters to improve protein detection and quantification in SCoPE-MS experiments.
  • LC-MS/MS method development: Identify and resolve chromatographic, ionization, and ion transfer issues during method optimization for bottom-up proteomics.
  • MS2 ion sampling and signal enhancement: Improve apex sampling efficiency and ion accumulation to increase MS2 signal intensity and peptide identification rates.

Methodology:

Integrates bottom-up LC-MS/MS data and applies interactive visualization-driven diagnostics to identify causes of low MS2 signal and to optimize elution apex sampling and ion accumulation times.

Topics

Details

License:
MIT
Maturity:
Mature
Cost:
Free of charge
Tool Type:
command-line tool, desktop application
Operating Systems:
Linux, Windows, Mac
Programming Languages:
R
Added:
8/9/2019
Last Updated:
11/24/2024

Operations

Publications

Huffman RG, Chen A, Specht H, Slavov N. DO-MS: Data-Driven Optimization of Mass Spectrometry Methods. Journal of Proteome Research. 2019;18(6):2493-2500. doi:10.1021/acs.jproteome.9b00039. PMID:31081635. PMCID:PMC6737531.

PMID: 31081635
PMCID: PMC6737531
Funding: - National Institute of General Medical Sciences: DP2GM123497

Documentation

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