A scientific software tool designed for the purpose of isotope labeling experiments (ILE). IsoCor correct raw MS data (isotopic clusters) for the contribution of all naturally abundant isotopes. The output of IsoCor is the isotopologue distribution – i.e. the relative fractions of molecular entities differing only in the number of isotopic substitutions – of the molecule. IsoCor also calculates the mean enrichment – i.e. the molecular content in the isotope – in metabolites or their fragments. IsoCor can be used for any chemical species with any isotopic tracer and at any MS resolution (i.e. low, high and ultra-high).
A program that corrects tandem mass isotopomer data from tandem mass spectrometry experiments. ICT supports numerous features, including but not limited to batch processing, considering the purity of the tracer, supporting any labeling source and accounting for any number of isotopes. However, the main advantages of ICT are that it can deal with precursor ion fragmentation and hence, unlike other available programs, can correct tandem mass spectrometry data. It is written in the multi-platform programming language Perl and, therefore, can be used on all commonly available computer platforms.
Serves for multiple isotope labeling assisted metabolomics data analysis. Miso consists of a data analysis workflow able to detect complete repertoire of labeled molecules from multiple-precursorbased labeling experiments. It can identify molecules labeled with various biologically relevant stable isotopes such as hydrogen, carbon, oxygen, nitrogen and sulfur.
Allows large-scale metabolomic experiments. El-Maven allows completely automated processing of raw Liquide Chromatography- Mass Spectrometry (LC-MS) data from isotopomer labeling and untargeted metabolomic profiling experiments. It aims to reduce complexity of metabolomics analysis by using a highly institute interface for exploring and validating metabolomics data. The tool provides an interface built for ease of processing and visualizing 100s of samples.
Determines isotopologues for a wide variety of metabolites detected by gas chromatography-mass spectrometry (GC-MS). DExSI offers to users automated identification annotation and quantitation of stable-isotope labelled metabolites identifies by GC-MS. This software can detect all isotopomers of multiple metabolites in complex biological mixtures irrespective of variation in the extent of labelling.
Performs a primary analysis of isotopic isomers (isotopomers) distribution obtained by Gas Chromatography coupled with Mass Spectrometry (GCMS). The aim of MIDcor is to have a correct distribution of isotopes originated from substrates that are artificially enriched with specific isotopes. To this end, the program performs a correction for natural occurring isotopes and also correction for “impurities” of the assay media that give peaks overlapping with the spectra of analyzed labeled metabolites. This program offers two ways of corrections of “impurities” resulted from overlapping the assayed mass isotopomer distribution with peaks produced either by unknown metabolites in the media, or by different fragments produced by the assayed metabolite.