# IR Spectrum Interpreter AI Agent Connect

> Identifies functional groups and structural features from infrared (IR) spectra peaks.

## Overview
- **Category:** chemistry
- **Price:** Free
- **Endpoint:** https://edge.vinkius.com/vk_preview_PuUIddqbZyuawERhDiPbcSUDEMiqda41mFwnKmSt/ai-agent-connect
- **Tags:** infrared, spectroscopy, chemistry, molecular-analysis, functional-groups

## Description

This MCP server provides specialized tools for chemical analysis of infrared spectra. It allows AI agents to identify functional groups and bond types using `analyze_peaks`, detect potential misinterpretations by flagging overtone or combination bands with `detect_anomalies`, and perform high-resolution structural identification in the fingerprint region using `search_fingerprint_region`. Additionally, it can compare unknown spectra against known standards via `compare_spectra` to determine similarity scores and matched groups.

## Tools

### analyze_peaks
Identifies functional groups and bond types based on a provided set of IR peaks

### compare_spectra
Determines the similarity between a provided spectrum and a known standard

### detect_anomalies
Flags potential overtone or combination bands that might lead to misinterpretation

### search_fingerprint_region
Provides high-resolution identification of specific structural features within the fingerprint region

## Prompt Examples

**Prompt:** 
```
Identify the functional groups for these IR peaks: [{'wavenumber': 1715, 'intensity': 'strong'}, {'wavenumber': 3300, 'intensity': 'broad'}]
```

**Response:** 
```
The spectrum indicates a Carbonyl group (C=O) at 1715 cm⁻¹ and a Hydroxyl group (O-H) at 3300 cm⁻¹.
```

**Prompt:** 
```
Check if the peak at 2000 cm⁻¹ is an overtone of a peak at 1000 cm⁻¹.
```

**Response:** 
```
The peak at 2000 cm⁻¹ is flagged as a potential overtone of the fundamental peak at 1000 cm⁻¹.
```

**Prompt:** 
```
Compare these two spectra for similarity: input [{'wavenumber': 1700, 'intensity': 'strong'}] and standard [{'wavenumber': 1710, 'intensity': 'strong'}].
```

**Response:** 
```
The similarity score is high, with a strong match for the carbonyl group in the specified range.
```

## Frequently Asked Questions

**What kind of data does this server require?**
The server requires an array of peak objects, each containing a wavenumber (in cm⁻¹) and an intensity (strong, medium, or weak).

**Can I use this to identify specific molecules?**
Yes, by using `compare_spectra` to match your input against known standards or `search_fingerprint_region` to find specific structural motifs.

**How does it handle potential errors in interpretation?**
The `detect_anomalies` tool specifically flags overtone and combination bands that might otherwise lead to incorrect functional group assignments.