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DescriptionThis program is a JAVA program which can align metabolite peaks from GC-MS analysis using retention time and MS fragmentation pattern information and also GUI-based edit the alignment. It can use NIST format or MassBase MST format text files to form the alignment. As edit functions, it contains add/delete function of peak in peak group, add/delete function of peak group, merge function of peaks and peak groups, etc. It can also annotate aligned peaks using pre-defined data library of MS fragmentation pattern of known metabolites. User can edit the data library. Resulting alignment can save as text file. Other programs (Microsoft Excel, etc) can use this output file for comparative and/or statistical analysis. Old version (Metabolometrisc) is downloadable.
Main Institutes of managementKazusa DNA Research Institute (KDRI)
Country of the InstituteJapan
URL of the sitehttp://www.kazusa.or.jp/komics/en/tool-en/35-fragmentalign.html
InputPeak of MASS(FA format)
Input exampleAfter setting of home directory by "Open Project", you can convert input data with NIST or MassBase MST format to a format for this program by using "Import Other Data". Next step is cricking "Peak Alignment" button and to select data files for the alignment process. Peak alignment process is run by cricking " Align" button. The results can save from File menu.
Keywordgas chromatography | mass spectrometory | principal component analysis
Amount of the all data for download(Mbyte) | Method to obtain the all data.1.82|Download http://www.kazusa.or.jp/komics/images/komics/tool/FragmentAlign/FragmentAlign_1.18.0.zip
External resources (databases) in building the product.None
Data typeMetabolite repression , mass spectra
Biological species in the main concernAll species
Conditions of useThis software is academic free, and is not allowed to use for commercial purpose.
Frequency of updates (in last two years)1 times/ year
Last date of updates (date of confirmation)2012/05/24 (2019/06/03)
Main IDs used in the productsN/A
How to make a link to get access to each IDs.None
external databases to which this database/tool have linksN/A
Published papers (PubMed IDs)Ara T, Sakurai N, Tange Y, Morishita Y, Suzuki H, Koh A, Saito K and Shibata D (2009) Improvement of the quantitative differential metabolome pipeline for gas chromatography-mass spectrometry data by automated reliable peak selection. Plant Biotechnology, 26, 445-449
Operational StatusAvailable