mass-tools

Various tools allowing to manipulate molecular formula and analyse mass spectra.

The library is published as a full package on npm as mass-tools.

It is also published for the browser on the CDN https://www.lactame.com.

The library contains the following tools:

• EMDB: database of molecular formula
• Groups: List of groups understood by the package
• Elements: Periodic table elements with associated mw and atomic mass
• IsotopicDistribution: Package to create isotopic distribution
• MF: Parse and format molecular formula
• Peptide: Parse peptide sequences
• Nucleotide: Parse nucleic sequences
• Spectrum: Deal with mass spectrum
• getPeaks: Filter array of peaks
• getBestPeaks: Get the best peaks of an array of peaks
• generateMFs: Generate all possible molecular formula
• Report: Generate fragmentation reports
• atomSorter: Sort symbol of atoms
• mfFromEA: Determine molecular formula from elemental analysis

This package should not be installed as we provide many specific packages with the different tools.

• EMDB: npm i emdb
• Elements / Groups: npm i chemical-groups
• IsotopicDistribution: npm i isotopic-distribution
• MF: npm i mf-parser
• Peptide: npm i peptide
• Nucleotide: npm i nucleotide
• Spectrum: npm i ms-spectrum
• generateMFs: npm i mf-generator
• Report: npm i ms-report
• atomSorter: npm i atom-sorter

Monorepo

npm install <dependency> -w <package>

License

MIT