Metabolite Annotation Data for Positive and Negative Ions by m/z

357.5 KB Excel file containing metabolite annotations likely based on mass-to-charge (m/z) ratios. The data references standard databases such as the Human Metabolome Database (HMDB) and Kyoto Encyclopedia of Genes and Genomes (KEGG). Zhi-Hui Luo authored this dataset, which was last updated on May 15, 2026.

Use Cases

• Validate metabolite identification pipelines based on m/z values and database cross-references.
• Benchmark annotation tools using the provided HMDB and KEGG identifiers.
• Train machine learning models for metabolite prediction based on mass spectrometry features suggested by the description.

Strengths

• Dataset is licensed under CC-BY-4.0, allowing for broad reuse and sharing.
• References established metabolite databases (HMDB, KEGG, CAS) as mentioned in the description.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Freshness

Last updated 2026-05-15 18:00:33; freshness should be verified.