KOMICS

The Kazusa Metabolomics Portal

MassChroViewer

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 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.

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DESCRIPTION

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.

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PowerGet

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.

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PowerSuite

MSGet is a tool that exports mass chromatogram data and PDA data in text files from the binary .raw data of Xcalibur software (ThermoFisher). The resulted text files are used for input file of PowerGet tool.

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DESCRIPTION

A tool for revising peak alignment results for liquid chromatography-mass spectrometry (LC-MS). Written in Perl.

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ShiftedIonsFinder

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.

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FragmentAlign

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.

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SpiceHit

A tool for high-throughput quantification and identification of the peaks detected by capillary electrophoresis-mass spectrometry (CE-MS) data analyzed by the single ion monitoring (SIM) method.

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