MassDifFinder is a tool for finding pairs of metabolite peaks which have specified mass differences. The tool is useful, for example, for finding potential sulfate conjugates (the mass difference is 79.9568) in the metabolite peaks in the blood which are derived from the peaks in the intake of food materials.
This is an improved version of PowerGet for analysis of data obtained using liquid chromatography (LC)-high-resolution mass spectrometry (MS). This tool is used for metabolite peak detection, adduct ion estimation, peak alignment between the samples, metabolite annotations by compound database search and FlavonoidSearch, and so on. The calculation processes are executed in batches using a command line. The peak detection limit for low intensity peaks and the adduct ion estimations are improved.
A 2-Dimensional data viewer for quality checking of LC-MS data. Retention time, m/z, and intensity of the ions in raw data (mzXML or mzML format) are visualized as x-axis, y-axis and strength of color. Zooming in/out and moving of the view area can be changed as Google-Map like mouse operations. The functions for overlay the extracted peaks, checking mass differences, MS/MS data browsing, compound database searching, browsing chemical structure of candidate compounds, and mass calculation of selected substructure can be used to check the quality of raw data and processed data.
FlavonoidSearch is a system for flavonoid annotation using mass spectral data retrieved from tandem mass (MS/MS) or multi-stage mass analysis (MSn) of mass spectrometers. The system consists of a probable mass fragment database constructed manually for known flavonoids (FsDatabase) and a command line tool (FsTool) to search the database.
A suite of data analysis tools for chromatography coupled with high-resolution mass spectrometry. The software powerfully supports metabolite annotations providing various functions such as peak picking with high accuracy mass values, prediction of carbon atom number from 13C/12C isotope peak intensities, peak alignments between the samples, rapid searching to compound databases and rapid formulae prediction.
The developing version of the tool has been called as "PowerSuite", and is renamed to "PowerGet" for public release.
A tool for revising peak alignment results for liquid chromatography-mass spectrometry (LC-MS). Written in Perl.
The ShiftedIonsFinder is an analytical tool (GUI program) for finding peaks having specified mass differences by comparing the mass spectra in two data sets obtained using chromatography-accurate mass spectrometry. This tool enables the user to select candidate labeled peaks by comparing a sample that is labeled with a stable isotope with an unlabeled sample. It is also easy to select peaks that may have been modified by hydration, glycosylation, or acylation. Since the search results can be output in Excel or text file format, the user can perform further analysis or edit the list as needed.
Arabidopsis TAC Position Viewer is an application tool to find the Arabidopsis genomic TAC clones that are precisely mapped to Arabidopsis chromosomes.
A peak alignment tool for gas chromatography-mass spectrometry (GC-MS) data based on the patterns of the fragment ions of the metabolite peaks generated by the electron ionization (EI). Written in Java.