What does this strategy enable?
The IE-Omics workflow automates exclusion-list preparation between repeat injections. This record uses its 2017 metabolomics methods paper as a reproducible implementation; iterative exclusion has earlier proteomics origins. The defining relationship is measured fragmentation history informing the next acquisition, rather than precomputing survey-based schedules.
Transferable workflow
Workflow
- 1
Acquire the initial DDA run
Begin with top-N fragmentation of a representative sample.
- 2
- 3
Generate the next exclusion list
IE-Omics groups fragmented precursors by mass and retention time and can flag recurrent background ions.
- 4
Import the list and repeat acquisition
Load the CSV into the instrument method before the next injection; the reported workflow is not real-time control.
- 5
Process and annotate spectra
The study uses MZmine 2 feature detection with LipidMatch, alongside LipidSearch annotation.
Connected resources
Tools used in this strategy
Strategy profile
Related objectives
Molecular discovery
Components
Data acquisition, Preprocessing and feature extraction, Annotation or identification
Biological context
Broadly applicable
Ion mobility
Not specified
Scope and considerations
Designed for
- Extending fragmentation coverage when repeated LC-MS/MS injections are feasible.
Important requirements
- Sufficient sample and instrument time for repeated injections.
- Compatible instrument exclusion-list import; the documented implementation targets Thermo instruments.
Considerations
- Check mass and retention-time tolerances and chromatographic reproducibility with the MS facility.
- Additional spectra do not guarantee identification or equal gains across sample types.
- This is not a replacement for quantitative study design or quality control.
Reusable resources
Publication
Koelmel JP, Kroeger NM, et al. Journal of the American Society for Mass Spectrometry 28, 908-917 (2017).