Ftir Spectral Search

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FTIR.fun MCP Server

MCP server and REST API client for FTIR.fun — gives AI assistants and code pipelines direct access to 130,000+ FTIR infrared reference spectra for material identification, peak explanation, and spectral library search.

Available Tools at a Glance

Tool	What it does
analyze_ftir_spectrum	Identify an unknown FTIR spectrum — accepts peaks, natural-language query, or an instrument file (28+ formats). Returns ranked matches with similarity scores and literature DOI.
explain_peaks	Explain one or more infrared peak positions — functional-group assignment without a full library search.
parse_ftir_spectrum	Parse a raw FTIR instrument file into wavenumber-intensity data points and detected peaks.
find_spectra	Search the 130,000+ reference library by substance name, CAS number, or keywords. Returns curve data for comparison.
submit_ftir_report	Submit a spectrum to the full tri-axis identification workflow (same multi-stage analysis as the website).
get_ftir_report_status	Poll report progress; returns the complete structured result and a shareable URL when done.
fetch_result	Retrieve any historical FTIR.fun analysis result by report number.

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Get an API Key

1. Sign in at ftir.fun — new accounts include free trial credits.
2. Go to Account → API Keys and click Generate.
3. Copy the key immediately (starts with ftir_; shown only once).

Authentication uses a single header — no OAuth, no browser redirect:

# For MCP (hosted)
Authorization: Bearer ftir_your_key_here

# For REST API
X-API-Key: ftir_your_key_here

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MCP Tools

The hosted MCP endpoint https://ftir.fun/mcp exposes seven tools.

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analyze_ftir_spectrum

Search the FTIR infrared spectral library for one unknown spectrum. Accepts peaks, a natural-language query, or a raw instrument file.

Parameters

Parameter	Type	Required	Description
query	string	No	Natural-language FTIR request — peak positions such as "1730, 1600, 1250 cm-1" are extracted automatically.
peaks	number[]	No	FTIR peak positions in cm⁻¹ (e.g. [1736, 1379, 1241]).
file_base64	string	No	Base64-encoded FTIR instrument file. Supports 28+ formats: Thermo .spa/.spc, Bruker .opus, PerkinElmer .sp, JCAMP-DX .jdx/.dx, CSV, Excel, and more.
filename	string	No	Original filename for format detection (e.g. "sample.spa").
top_k	integer	No	Number of ranked candidates to return (1–50, default 15).
tolerance_cm1	integer	No	Peak matching tolerance in cm⁻¹ (1–30, default 8).

Returns: Ranked candidate materials with library similarity scores, peak-by-peak evidence linked to published literature (DOI), confidence levels, and uncertainty disclosures.

Example

Identify this infrared spectrum: peaks at 2915, 1715, 1450, 1260, 1090 cm-1.

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explain_peaks

Explain one or more FTIR infrared peaks without requiring a full spectral library search. Useful for quick functional-group assignment and wavenumber interpretation.

Parameters

Parameter	Type	Required	Description
query	string	No	Natural-language peak question, e.g. "What does 1715 cm-1 indicate in an ester?"
peaks	number[]	No	One or more FTIR peak positions in cm⁻¹.
sampling_mode	string	No	ATR, Thin Film, KBr Pellet, Nujol Mull, etc.

Returns: Structured peak explanations with functional-group assignments and uncertainty wording when available.

Example

Use FTIR.fun to explain the infrared peaks at 1715 and 3300 cm-1 in ATR mode.

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parse_ftir_spectrum

Parse a base64-encoded FTIR instrument file into aligned wavenumber-intensity curve points and automatically detected peak positions. Use this to extract raw spectral data before analysis.

Parameters

Parameter	Type	Required	Description
file_base64	string	Yes	Base64-encoded FTIR instrument file.
filename	string	Yes	Original filename (e.g. "sample.spa") for format detection.

Returns: Aligned (wavenumber, intensity) data points and a list of detected peak positions in cm⁻¹.

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find_spectra

Find FTIR library reference spectra by substance name, CAS number, spectrum number, or keywords. Returns raw spectral curve data for direct comparison.

Parameters

Parameter	Type	Required	Description
query	string	Yes	Substance name (e.g. "polypropylene"), CAS number, FTIR library NUM, or keywords.
limit	integer	No	Number of reference spectra to return (1–20, default 10).

Returns: Matching reference spectra with num, names, CAS, peak markers, and library curve data.

Example

Find FTIR reference spectra for polyethylene terephthalate (PET).

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submit_ftir_report

Submit a base64-encoded FTIR spectrum file to the full FTIR.fun tri-axis identification workflow — the same multi-stage analysis used on the website. Returns a task_id and result_num immediately; poll with get_ftir_report_status for the completed report.

Parameters

Parameter	Type	Required	Description
file_base64	string	Yes	Base64-encoded FTIR instrument file.
filename	string	Yes	Original filename for format detection.

Returns: { task_id, result_num }

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get_ftir_report_status

Poll the status of a report submitted via submit_ftir_report. When complete, the response includes the full structured report_view (the same data shown on the FTIR.fun website) and a shareable report_url.

Parameters

Parameter	Type	Required	Description
task_id	string	Yes	task_id returned by submit_ftir_report.

Returns: Status field plus report_view and report_url when complete.

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fetch_result

Fetch a historical FTIR.fun infrared analysis result by report number.

Parameters

Parameter	Type	Required	Description
result_num	string	Yes	FTIR.fun report/result number.
language_code	string	No	Display language for the stored result context (default en).

Returns: Structured context with report_url, headline, summary, report_view, and result_context.

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REST API

Call FTIR.fun directly from any language — Python, JavaScript, R, MATLAB, Go. Ideal for LIMS integrations, batch spectral processing pipelines, or adding infrared spectrum search to your own application.

Full API reference: https://ftir.fun/api-docs/

Health check (no key required)

curl https://ftir.fun/health
# → {"status":"ok","service":"ftirfun-api"}

Identify an unknown infrared spectrum — peak list

curl -X POST https://ftir.fun/ftir/analyze_spectrum \
  -H "X-API-Key: ftir_your_key_here" \
  -H "Content-Type: application/json" \
  -d '{
    "peaks": [2915, 1715, 1450, 1260, 1090],
    "options": {"top_k": 10, "tolerance_cm1": 8}
  }'

import requests

resp = requests.post(
    "https://ftir.fun/ftir/analyze_spectrum",
    headers={"X-API-Key": "ftir_your_key_here"},
    json={
        "peaks": [2915, 1715, 1450, 1260, 1090],
        "options": {"top_k": 10, "tolerance_cm1": 8},
    },
)
print(resp.json())

Identify from an instrument file

import base64, requests

with open("sample.spa", "rb") as f:
    b64 = base64.b64encode(f.read()).decode()

resp = requests.post(
    "https://ftir.fun/ftir/analyze_spectrum",
    headers={"X-API-Key": "ftir_your_key_here"},
    json={"file_base64": b64, "filename": "sample.spa"},
)
print(resp.json())

Supports 28+ instrument formats: Thermo .spa/.spc, Bruker .opus, PerkinElmer .sp, JCAMP-DX .jdx/.dx, CSV, Excel, and more.

Explain infrared peaks

curl -X POST https://ftir.fun/ftir/explain_peaks \
  -H "X-API-Key: ftir_your_key_here" \
  -H "Content-Type: application/json" \
  -d '{"peaks": [1715, 2915], "sampling_mode": "ATR"}'

Search reference spectra by name or CAS

curl "https://ftir.fun/v1/search?q=polypropylene&limit=5" \
  -H "X-API-Key: ftir_your_key_here"

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MCP Client Setup

The hosted MCP endpoint requires no local install. Use https://ftir.fun/mcp with a Bearer token.

VS Code (GitHub Copilot Agent mode)

Create .vscode/mcp.json in your project (or add to user-level settings):

{
  "inputs": [
    {
      "type": "promptString",
      "id": "ftirfun-api-key",
      "description": "FTIR.fun API key",
      "password": true
    }
  ],
  "servers": {
    "ftirfun": {
      "type": "http",
      "url": "https://ftir.fun/mcp",
      "headers": {
        "Authorization": "Bearer ${input:ftirfun-api-key}"
      }
    }
  }
}

Open Command Palette → MCP: List Servers → select ftirfun → Start.

Claude Desktop / Claude Code

URL:    https://ftir.fun/mcp
Header: Authorization: Bearer ftir_your_key_here

One-line setup for Claude Code:

claude mcp add --transport http ftirfun https://ftir.fun/mcp \
  --header "Authorization: Bearer ftir_your_key_here"

Cursor

Create or edit ~/.cursor/mcp.json:

{
  "mcpServers": {
    "ftirfun": {
      "url": "https://ftir.fun/mcp",
      "headers": {
        "Authorization": "Bearer ftir_your_key_here"
      }
    }
  }
}

OpenAI Codex

[mcp_servers.ftirfun]
url = "https://ftir.fun/mcp"
http_headers = { Authorization = "Bearer ftir_your_key_here" }

Gemini CLI

Edit ~/.gemini/settings.json:

{
  "mcpServers": {
    "ftirfun": {
      "httpUrl": "https://ftir.fun/mcp",
      "headers": {
        "Authorization": "Bearer ftir_your_key_here"
      }
    }
  }
}

Any other MCP client that supports a remote streamable-HTTP server works: set the URL to https://ftir.fun/mcp and send Authorization: Bearer <your key>. Full tool schema: server-card.json.

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Self-Hosted (Local Wrapper)

A lightweight local MCP wrapper that proxies to the hosted API. Exposes the same seven FTIR tools.

Configuration

export FTIRFUN_API_KEY="your-ftirfun-api-key"
# Optional:
export FTIRFUN_API_BASE_URL="https://ftir.fun"
export FTIRFUN_API_TIMEOUT_SECONDS="120"

Run Locally (stdio)

python -m venv .venv
. .venv/bin/activate
pip install .
ftirfun-mcp

Run Streamable HTTP

FTIRFUN_API_KEY="your-ftirfun-api-key" \
ftirfun-mcp --transport streamable-http --host 127.0.0.1 --port 8001

Docker

docker build -t ftirfun-mcp .
docker run --rm -p 8001:8001 -e FTIRFUN_API_KEY="your-ftirfun-api-key" ftirfun-mcp

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Tool Boundary

Use this MCP server for FTIR spectral-library screening only. Do not use for non-FTIR spectroscopy, general chemistry Q&A, or accredited laboratory certification.

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About FTIR.fun

FTIR.fun is a cloud platform for infrared spectroscopy analysis used by researchers and engineers in 52+ countries. It gives fast access to a continuously updated library of 130,000+ FTIR reference spectra covering polymers, additives, coatings, pharmaceuticals, and industrial chemicals.

What you can do on ftir.fun:

• Spectral library search — upload an instrument file or paste peak positions; get ranked matches with similarity scores and literature DOI citations
• AI peak explanation — ask about any wavenumber; receive functional-group assignments backed by a chemical knowledge graph
• Full tri-axis report — automatic multi-stage material identification with a shareable result URL
• Image-to-CSV extraction — digitize a spectrum curve from a published figure
• Formulation workbench — multi-component deformulation and unknown-mixture analysis

Step-by-step setup guides: https://ftir.fun/ai-integration/

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Registry & Links

Resource	URL
Website	https://ftir.fun
Setup guide	https://ftir.fun/ai-integration/
API docs	https://ftir.fun/api-docs/
Hosted MCP endpoint	https://ftir.fun/mcp
Server card	https://ftir.fun/.well-known/mcp/server-card.json
Smithery	https://smithery.ai/servers/hlin2097/ftirfun
MCP.so	https://mcp.so/server/ftir-spectral-search/ftir_fun
PyPI	https://pypi.org/project/ftirfun-mcp/