The software utilities have been developed to help the local scientific community with the mass spectra interpretation. The software is freely available for non commercial use. Please send us your thoughts and suggestions concerning our programs.
EIC-Electrospray Ion Calculator
EIC calculates mass to charge ratio of ions commonly observed in electrospray or APCI mass spectra. Formula or molecular weight is entered and adduct ions with various common cations (H+, Na+, K+, NH4+) are calculated. If selected, EIC also calculates ions having hydrogens replaced by sodium (e.g. carboxyl-containing compounds). Multimers (dimers, trimers) as well as multiply charged species are considered. Results are shown for positive or negative ions. [Screenshot] [Download (Windows only)].
Peptide Mass Calculator
Peptide Mass Calculator calculates peptide exact or average mass from its single-letter sequence. The mass is calculated for uncharged molecule, protonated molecule, or sodium adduct. If selected, the end group modifications (N-acetyl or C-amide) are considered. [Screenshot] [Download (Windows only)].
HydroCarbLi
HydroCarbLi helps to interpret MALDI mass spectra of hydrocarbon mixtures ionizied with lithium cation. The software calculates possible composition from an ion exact mass. Results are scored based on relative error. The software considers either 6Li or 7Li adducts. For more information see J.Cvačka, A.Svatoš: Rapid Commun. Mass Spectrom. 17, 2203-2207 (2003). [Abstract/Full text] [Screenshot] [Download (Windows only)].
Note! The software is provided "as is" without warranty of any kind. The entire risk arising out of use or performance of the software products remains with you.