domains / families / science / targeted-analysis

targeted-analysis

separate

Designs and validates quantitative targeted metabolomics assays (MRM/SRM on triple-quadrupole, PRM on high-resolution instruments) to report absolute concentrations. Covers the internal-standard strategy (external cal -> global IS -> standard addition -> stable-isotope-labeled IS), weighted calibration judged by back-calculated %RE not R-squared, ion-ratio quantifier/qualifier confirmation, matrix-effect/recovery characterization, and ICH M10 method validation. Use when quantifying a closed panel of known metabolites with units, building or validating an LC-MS/MS assay, choosing an IS or calibration weighting, or judging whether a reported concentration is trustworthy. For untargeted feature detection see metabolomics/xcms-preprocessing; for group statistics see metabolomics/statistical-analysis; for flux/MID/tracing see metabolomics/isotope-tracing.

When to use

• quantifying a closed panel of known metabolites with units
• building or validating an LC-MS/MS assay
• choosing an internal standard or calibration weighting
• judging whether a reported concentration is trustworthy
• fitting weighted calibration curves
• normalizing analytes to stable-isotope-labeled internal standards
• confirming identity by ion ratio
• characterizing matrix effect and recovery

When not to use

• untargeted feature detection
• group statistics
• flux/MID/tracing

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