How do I calculate the molecular formula?

You can use the `calculate_molecular_formula` tool by providing the empirical formula and the target molar mass.

Can I use mass spectrometry data?

Yes, the `calculate_molecular_formula` tool accepts an optional `msMassData` parameter to refine the molar mass using the molecular ion peak.

What is the degree of unsaturation?

The degree of unsaturation represents the total number of rings and pi bonds in a molecule, which can be found using `calculate_unsaturation`.

Molecular Formula Determination Engine MCP Connector for Claude

A+

A precision engine for calculating empirical formulas, molecular formulas, and degree of unsaturation.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner

More Details Connect to Claude

This MCP server provides high-precision stoichiometric calculations for chemical analysis. It allows AI agents to determine the simplest whole-number ratios of elements using find_empirical_formula, derive actual molecular formulas from empirical data with calculate_molecular_formula, and calculate the degree of unsaturation using calculate_unsaturation. It also supports converting mass percentages directly into formulas via derive_from_composition. These tools are essential for researchers and students working with mass spectrometry data and elemental composition analysis.

chemistrystoichiometrymolecular-formulaempirical-formulascience

Connect to Claude

Subscribe on Vinkius, then add this connector to Claude.ai or Claude Code.

① Claude.ai (web app)

Go to Settings → Connectors → Add custom connector
Paste the MCP endpoint URL below

https://edge.vinkius.com/vk_preview_aA3mm9H0Sp5ywB9v5J2W0lSaDYiykgb4IP8O4Tvl/mcp

② Claude Code (terminal)

claude mcp add --transport http molecular-formula-determination-engine https://edge.vinkius.com/vk_preview_aA3mm9H0Sp5ywB9v5J2W0lSaDYiykgb4IP8O4Tvl/mcp

③ Claude Desktop

Add to claude_desktop_config.json:

{
  "mcpServers": {
    "molecular-formula-determination-engine": {
      "url": "https://edge.vinkius.com/vk_preview_aA3mm9H0Sp5ywB9v5J2W0lSaDYiykgb4IP8O4Tvl/mcp"
    }
  }
}

Get full access on Vinkius

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Details

Tools: 4
Grade: A+
Score: 100/100
Updated: Oct 1, 2026

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