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mass-spectrometry-target-list-preparation - Prepare TARDIS-compatible target lists for LC-MS analysis.

Loads compound spreadsheets, filters by ionization polarity, and extracts target metadata into standardized data frames for LC-MS analysis.

Tags

Updated: 2026-09-17
mass-spectrometrylc-msmetabolomicstardisdata-preparation

Capabilities

Load tabular compound filesFilter targets by ionization polarityExtract compound metadata columnsCreate standardized target list objects

Typical Inputs

Raw XLSX or CSV compound spreadsheetCompound metadata with m/z and retention timeIonization polarity column indicators

Typical Outputs

Standardized target list data.frameTARDIS-compatible single-polarity target object

What this skill does

  • Load tabular compound files
  • Filter targets by ionization polarity
  • Extract compound metadata columns
  • Create standardized target list objects

Inputs

  • Raw XLSX or CSV compound spreadsheet
  • Compound metadata with m/z and retention time
  • Ionization polarity column indicators

Outputs

  • Standardized target list data.frame
  • TARDIS-compatible single-polarity target object

Requirements

  • R environment
  • TARDIS package
  • Retention times specified in minutes

Source

  • Spec: SKILL.md

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