Mass tools

This monorepo contains many libraries that allows to analyze low and high resolution mass spectra.

Project name Description Version
atom-sorter Callback allowing to sort chemical elements (atoms) in Hill order 🔗 2.1.3
chemical-elements JSON containing information about chemical elements and isotopes 🔗 2.1.1
chemical-groups JSON containing information about chemical groups 🔗 2.2.1
emdb Database manager for exact mass query 🔗 3.3.7
isotopic-distribution Calculate the isotopic distribution of a molecular formula 🔗 3.3.2
mass-fragmentation Code to fragment molecules 🔗 1.10.4
mass-tools Many tools allowing to analyze mass spectra 🔗 2.2.5
mf-finder Find a molecular formula from a monoisotopic mass 🔗 3.4.4
mf-from-atomic-ratio Find a molecular formula from atomic ratio 🔗 1.2.4
mf-from-ea Find a molecular formula from elemental analysis results 🔗 2.1.4
mf-from-google-sheet Retrieve and format molecular formula from google sheet 🔗 3.1.4
mf-generator Generate molecular formula based on a range and filters 🔗 3.3.4
mf-global Various libraries to deal with molecular formula and mass spectra 🔗 3.1.7
mf-matcher Returns true / false for an object using mw, em, msem, unsaturation and atoms 🔗 3.2.4
mf-parser Parse a molecular formula 🔗 3.2.4
mf-utilities Small utilities dealing with molecular formula 🔗 3.2.4
mfs-deconvolution 🔗 2.4.7
ms-report Generate report for mass analysis 🔗 3.2.5
ms-spectrum A mass spectrum 🔗 3.6.7
nucleotide Deal with nucleotides and molecular formula 🔗 3.1.5
number-treemap Manage a sorted tree of numbers 🔗 3.1.4
octochemdb Helper that allows to query the OctoChemDB webservices 🔗 2.9.7
peptide Peptide 🔗 2.2.2