Untargeted Metabolomics Data for Three Yeast Species with Labeled Replicates

Untargeted LC–MS datasets were generated from both unlabeled and ^13C-labeled yeast cultures across three species: Rhodotorula toruloides, Issatchenkia orientalis, and Saccharomyces cerevisiae, each with three biological replicates. The dataset includes all-ion fragmentation (AIF) data acquired from unlabeled yeast samples at three collision energies (0 eV, 5 eV, and 10 eV). The 2.9 GB dataset was authored by Xi Xing and last updated on April 13, 2026.

Use Cases

• Develop metabolite identification algorithms based on LC–MS data from multiple yeast species.
• Train machine learning models for spectral prediction using all-ion fragmentation data at different collision energies.
• Perform comparative metabolomics analysis based on data from unlabeled and ^13C-labeled yeast cultures.
• Benchmark data processing pipelines for untargeted metabolomics using the provided biological replicates.

Strengths

• Includes data from three distinct yeast species (Rhodotorula toruloides, Issatchenkia orientalis, Saccharomyces cerevisiae).
• Contains both unlabeled and ^13C-labeled samples, enabling isotopic labeling studies.
• Provides three biological replicates per species and condition, supporting statistical robustness.
• All-ion fragmentation data is available at three specified collision energies (0 eV, 5 eV, 10 eV).

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for specific analytical tasks.

Provenance

Source

Xi Xing via figshare.

Collection Method

Data generated from untargeted LC–MS analysis of yeast cultures.

Freshness

Last updated 2026-04-13 18:22:30; freshness should be verified.