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Unknown Chemical Extraction from Spectra

Agent skill
1 skill

Use when when you have an existing real mzML file from a metabolomics LC-MS/MS acquisition (e.g., beer or urine samples) and need to populate a virtual mass spectrometer with the actual chemicals that were measured, so that you can replay the acquisition with alternative fragmentation strategies (e.

Install with
Claude CodeCodexCursorGitHub CopilotGemini CLI

Supported by the Atlas install prompt. Skill-specific requirements vary.

Skill stats

Skills1CategoryGeneralStars0

About this skill

Use when when you have an existing real mzML file from a metabolomics LC-MS/MS acquisition (e.g., beer or urine samples) and need to populate a virtual mass spectrometer with the actual chemicals that were measured, so that you can replay the acquisition with alternative fragmentation strategies (e.

Quick start

  1. Copy the install prompt. Use the green button above this README.
  2. Send it to your agent. Paste it into your coding agent’s chat and send.
  3. Review the setup. Your agent checks the skill’s instructions, requirements, and installation scope.
Review, license & listing details
Review the source before using this skill

This is an imported listing. We haven’t certified its safety, license, or compatibility. Skills may include executable scripts.

Automated security scan: Partial

Only SKILL.md was scanned. Supporting files and scripts were not checked. No safety grade has been assigned.

0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1

Content SHA-256: cf5be0a23e24586fc3c0727fe82ae6ab3672f1727c4f35d275b56a752535c7c6

About scan coverage and limitations

About this listing

Category
General
Reported license
Apache-2.0
Listing language (estimated)
English
Review status
Not individually reviewed
Agent compatibility
Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.