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awesome-mass-spectral-libraries

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Spectral Quality Assessment
- Commercial
  - msPurity
Specifications
- mzSpecLib
Spectral Libraries
- Public (Open)
  - GNPS
  - MassBankEU
  - MoNA
- Commercial
  - NIST
  - mzCloud
Compound Annotation
- Commercial
  - mzmine
  - FASST / fastMASST
  - GNPS2 - apps, nextflow workflows, spectral library matching, molecular networking
  - mzmine
Spectral Library Generation
- Commercial
  - RMassBank - scripts/): Generate spectral libraries, requires specific data acquisition method
  - MSMS-Chooser - Automatically select MS/MS from LC standard runs and generate GNPS libraries
Handling of Spectral Libraries
- Commercial
  - Metabolomics USI resolver - tool, visualize library spectra and mirror plots
Other Related Resources
- Commercial
  - RepoRT - 023-02143-z)): Retention time database

Programming Languages