Can I search for compounds using mass spectrometry data?

Yes, the skill allows you to perform searches using mass-to-charge (m/z) ratios, specifying ion adducts and mass tolerance for precise compound matching.

What is the Metabolomics Workbench?

The Metabolomics Workbench is an NIH-sponsored platform that serves as a primary repository for metabolomics research data, providing tools for metabolite identification and study analysis.

How does the RefMet feature help in research?

RefMet provides a standardized nomenclature for metabolites, ensuring that researchers use consistent naming conventions across different studies and analytical platforms.

Is an API key required to use this skill?

No, this skill utilizes the public REST API provided by the Metabolomics Workbench, which does not currently require an API key for access.

What types of analytical methods are covered?

The database includes data from various platforms, including Liquid Chromatography-Mass Spectrometry (LC-MS), Gas Chromatography-Mass Spectrometry (GC-MS), and Nuclear Magnetic Resonance (NMR).

Metabolomics Workbench Database

Name: Metabolomics Workbench Database
Author: henriquescastilho

byhenriquescastilho

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数据科学与机器学习

Accesses the NIH Metabolomics Workbench repository to query metabolite structures, study metadata, and mass spectrometry data.

This skill provides a programmatic interface to the NIH Common Fund-sponsored Metabolomics Workbench, a premier repository for metabolomics research. It allows researchers and developers to query over 4,200 studies, standardize metabolite nomenclature using RefMet, and perform advanced mass spectrometry searches across various analytical platforms like LC-MS and GC-MS. By integrating these capabilities directly into Claude, users can streamline biomarker discovery, automate compound identification, and bridge the gap between experimental data and systematic biological insights.

主要功能

01Standardized nomenclature and classification via the RefMet database

02Mass spectrometry m/z searches with support for various ion adducts

03Retrieval of molecular structures in MOL and PNG formats

04Advanced filtering by analytical method, species, and disease context

05Access to 4,200+ metabolomics studies and experimental metadata

061 GitHub stars

使用场景

01Identifying unknown metabolites by matching m/z values against reference databases

02Standardizing experimental datasets with systematic RefMet nomenclature

03Exploring disease-specific metabolomics studies for biomarker discovery

主要功能

01Standardized nomenclature and classification via the RefMet database

02Mass spectrometry m/z searches with support for various ion adducts

03Retrieval of molecular structures in MOL and PNG formats

04Advanced filtering by analytical method, species, and disease context

05Access to 4,200+ metabolomics studies and experimental metadata

061 GitHub stars

使用场景

01Identifying unknown metabolites by matching m/z values against reference databases

02Standardizing experimental datasets with systematic RefMet nomenclature

03Exploring disease-specific metabolomics studies for biomarker discovery