Publications and literature | ChemCalc

Publications and literatureMass-spectrometry publications behind ChemCalc and the cheminfo ecosystem: molecular formula and isotopic pattern calculation, polymer and oligonucleotide MS, high-resolution MS identification, and FAIR chemical data. Each entry links to its DOI. Please enable JavaScript to use the interactive application.

Molecular formula calculator

The ChemCalc toolbox

Molecular formula finder from monoisotopic mass

List of possible molecular formulas

Compounds for a molecular formula

Peptide and protein fragmentation calculator

Nucleotide and oligonucleotide fragmentation calculator

Polymer mass distribution calculator

Mass spectra database search

In-silico MS/MS fragmentation of a structure

Atomic elements and isotope reference table

Chemical group abbreviations

Publications and literature

ChemCalc Web Services and API

ChemCalc documentation

Mass spectrometry exercises

The ChemCalc newsletter

Cite ChemCalc — Patiny L, Borel A. ChemCalc: a building block for tomorrow's chemical infrastructure. J Chem Inf Model. 2013. DOI: 10.1021/ci300563h