Mass-tools NPM

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

atom-sorter chemical-elements chemical-groups emdb isotopic-distribution mass-fragmentation mf-from-atomic-ratio mf-from-ea mf-generator mf-parser mf-utilities mfs-deconvolution ms-report ms-spectrum nucleotide octochemdb peaks-similarity peptide sum-object-keys

@everything-registry/sub-chunk-2136 @zalastax/nolb-mas

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