Spectral processing and comparison

GNPS2 MS/MS Spectrum Summary

Explore recurring fragment peaks and neutral losses across selected tandem mass spectra.

LC-MSWeb applicationFree web service

Overview

The spectrum-summary app displays peak and neutral-loss histograms for spectra selected through a GNPS2 network component or a list of Universal Spectrum Identifiers. It supports inspection of shared fragmentation evidence before more detailed annotation.

What can this tool do?

Interactive dashboard

Common uses

  • Inspect common fragment signals among related spectra.
  • Examine recurring neutral losses in a selected network component.

Scientific fit

Primary function

Spectral processing and comparison

Data compatibility

Inputs

Mass spectra

Outputs

Human-readable report

Input formats

Universal Spectrum Identifiers, one per line, GNPS task and network-component identifiers with node selection

Output formats

Interactive peak and neutral-loss histograms

Scope and considerations

Designed for

  • Exploratory comparison of shared fragmentation across selected MS/MS spectra.

Not designed for

  • Definitive structure identification or quantitative feature-table processing.

Important requirements

  • Accessible spectra referenced by USIs or a supported GNPS network task.
  • Selection of spectra appropriate to the scientific comparison.

Considerations

  • Shared peaks and losses support hypotheses but are not unique structural assignments.
  • Acquisition conditions, precursor selection and the chosen spectrum subset affect the summary.
  • Input controls and plots were inspected without submitting a user dataset; operational performance remains untested.

Access and documentation

Public hosted interface; input spectra must be retrievable through the selected GNPS task or USI route. No source-code license or independent performance benchmark was verified.

Evidence and review

Official tool index and both public input screens reviewed on 2026-09-10. No dedicated publication identified; no general GNPS paper added as an app-specific publication. No private data uploaded or independent benchmark performed.

No dedicated scholarly publication is listed. Follow the official documentation and resource-specific citation guidance.

Software and documentation citations

  • GNPS2 Tool Index. MS/MS Spectrum Summary App. Accessed 10 September 2026. Documentation

Related tools

Entry history

Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.

  1. 2026-09-10 · First committed entry

    Separate scientific illustration labels and add spectrum summary tool

    View change · Entry at this revision

Full GitHub history