Software by MetaLabs

MolNetInvert

A tool for generating Metadata-Base Molecular Networks (MBMN). Useful for visualising large untargeted metabolomics datasets.

IsoPat

A tool for analyzing isotope patterns in mass spectrometry data. Useful in isotope labeling studies, teaching isotope patterns, and general mass spectrometry.

DynamicClusterAnalysis

A tool for analyzing mass spectrometry data with the purpose to identify compounds containing chlorine, bromine, or sulphur.

PatExtract

A tool for rapidly simulating the isotope patterns of multiple molecular formulas all at once, using a CSV molecular formula list as the input.

FormExtract

A tool for analyzing multiple basic isotope patterns and elemental composition from an input of molecular formulas. This software will return values such as number of halogens, the 1st, 2nd and 3rd isotopomer values, and more.