Metabolite annotation

Target-decoy-controlled DIA metabolomics

Use DDA-derived assay libraries and decoy scoring to control false discoveries during targeted DIA extraction.

Nature Communications · 2022 · 10.1038/s41467-022-29006-z

LC-MSTargeted metabolomicsMetabolite annotation

What does this strategy enable?

DIAMetAlyzer links assay construction, chromatographic extraction and statistical validation. Its distinguishing contribution is error-controlled extraction, rather than merely combining acquisition modes.

Transferable workflow

Workflow

  1. 1

    Construct target and decoy assays

    Build assays from DDA spectra with fragment annotations.

  2. 2

    Extract DIA chromatograms

    Use the assay library to extract candidate peak groups.

  3. 3

    Score and filter results

    Estimate false-discovery rates before interpreting quantified features.

Connected resources

Tools used in this strategy

Strategy profile

Components

Data acquisition, Annotation or identification, Quality control, Statistical analysis

Scope and considerations

Designed for

  • Assay-driven DIA quantification with statistical error control.

Important requirements

  • Compatible DDA library and DIA measurements.

Considerations

  • Library coverage limits extraction.
  • Extraction FDR does not establish definitive chemical identity.

Reusable resources

✓ Code available✓ Published method available

Publication

Alka et al. DIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics. Nature Communications (2022).

doi:10.1038/s41467-022-29006-z

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