MCP For Claude Marketplace
Mass Spectrum Interpreter

Mass Spectrum Interpreter MCP Connector for Claude

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High-precision analytical tool for interpreting mass spectrometry data and identifying molecular structures.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner
More Details Connect to Claude

This MCP server provides advanced analytical capabilities for mass spectrometry. It allows AI agents to process raw mass-to-charge (m/z) data to identify molecular ions, determine base peaks, and calculate molecular weights using analyze_peaks. It can interpret structural breakdowns through identify_fragmentation_pathways and predict elemental composition, such as the presence of Chlorine or Bromine, using estimate_elemental_composition. Additionally, validate_spectral_integrity ensures that the input data quality is sufficient for scientific interpretation.

mass-spectrometrychemistrymolecular-analysisspectroscopyanalytical-chemistry

4 tools expose this connector's capabilities to your AI agent.

analyze_peaks

Performs the primary calculation of fundamental spectral characteristics from raw data

estimate_elemental_composition

Uses isotopic ratios to predict the presence of specific elements like Chlorine or Bromine

identify_fragmentation_pathways

Interprets the relationship between the molecular ion and lower-mass peaks to suggest structural breakdowns

validate_spectral_integrity

Checks the quality of the input data to ensure it is suitable for scientific interpretation

See how to talk to your AI agent using Mass Spectrum Interpreter.

Analyze these peaks: [{"mz": 150.05, "intensity": 100}, {"mz": 151.05, "intensity": 12}, {"mz": 77.03, "intensity": 45}]

The molecular weight is 150.05 Da, with the base peak at m/z 150.05 and a significant fragment at m/z 77.03.

What elements are present in a spectrum with a molecular ion at 180.0 and an M+2 peak at 182.0 with 33% intensity?

The isotopic pattern suggests the presence of Chlorine.

Check if this spectral data is reliable: [{"mz": 200, "intensity": 500}, {"mz": 201, "intensity": 10}] with a noise threshold of 5.

The spectral integrity is valid with a high signal-to-noise ratio.

The tool requires a list of mass-to-charge (m/z) peaks and their corresponding intensities to perform calculations like `analyze_peaks`.

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