MassChroViewer is a data viewer for liquid chromatography (LC)–mass spectrometry (MS) data. LC-MS data in mzXML or mzML format are visualized in two-dimensions by retention time (RT) vs. m/z and the peak positions extracted using data processing software can be overlaid. A mass ruler function to evaluate mass accuracy and adduct assignment, immediate colour strength change to view peaks in wide intensity range and MS/MS visualization tool will help assess the quality of raw and processed data. A database search tool linked to a mass substructure calculator is used to metabolite annotations.
Use the URL below to cite the MassChroViewer website.
Don't use the URL written in the address bar of your browser. The URL might be changed in future.
A PC (64 bit, > 4GB RAM is recommended) with Java Runtime Environment (JRE 64 bit, version 1.7 or later) is required to run MassChroViewer. See Oracle's website for installation of Java.
We tested the tool using following PCs:
Windows10, MacOSX 10.9.5 and CentOS7.2 Linux
MassChroViewer_1.8.1.zip (zip compressed: 27.2 MB, Updated on 7 April 2020)
MassChroViewer_manual_en.pdf (English 2.3 MB)
MassChroViewer_manual_ja.pdf (Japanese 2.5 MB)
|Name||Description||Metabolonote ID||MassBase ID||Download|
|S1_Cont_HRes_DX_ms2.zip||Parsley shoot analyzed by LC-FT-ICR-MS in ESI positive mode at a high resolution (100,000), with dynamic exclusion setting to obtain MS2||SE61_S21_M011||MDLC1_48041||Download (35.4 MB)|
|S2_Cont_LRes_DX_ms2-3.zip||Parsley shoot analyzed by LC-FT-ICR-MS in ESI positive mode at a low-resolution (12,500), with dynamic exclusion setting to obtain MS2 and MS3||SE61_S21_M015||MDLC1_47225||Download (16.0 MB)|
|S3_15N_HRes_noDX_ms2.zip||15N labeled parsley shoot analyzed by LC-FT-ICR-MS in ESI positive mode at a high-resolution (100,000) without dynamic exclusion setting to obtain MS2||SE61_S22_M014||MDLC1_48043||Download (37.4 MB)|
|S4_mock_HRes_DX_ms2.zip||Mock control analyzed by the same procedure as S1_Cont_HRes_DX_ms2 without parsley sample.||SE61_S02_M01||MDLC1_47219||Download (25.3 MB)|
|S1_peakLists.zip||A set of peaks extracted from the sample S1_Cont_HRes_DX_ms2 using PowerGet software is saved in three different text format that can be imported by MassChroViewer.||SE61_S21_M011_D1||Download (1.02 MB)|
The library JChemPaintMs.jar for the Fragment Calculator function is an open source software licensed under the GNU Lesser General Public License, Version 2.1. The source codes of the JChemPaint (available at http://svn.code.sf.net/p/cdk/svn/jchempaint/, revision 15623) is used in the library with a slight modification. The source code of JChemPaintMs.jar is included in the jar file.
JChemPaintMs_0.2.1.zip (zip compressed: 18.7 MB)
The library flavonoid.jar for the FlavonoidSearch GUI tool is an open source software licensed under the GNU Lesser General Public License, Version 2.1.
Sakurai N and Shibata (2017) Tools and databases for an integrated metabolite annotation environment for liquid chromatography–mass spectrometry–based untargeted metabolomics. Carotenoid Science 22: 16-22
MassChroViewer is available free of charge for academic purpose.
1.8.1 7 Apr, 2020 - A bug fix. Extra menu items for test programs were removed from the menu. 1.8.0 3 Apr, 2020 - Keyboard shordcuts for the mass shift function were added. 1) Shift + Left or Right key: Up or down for the mass shift step 2) Shift + number key (except ten keys): Set the mass shift step to the number 3) Ctrl + Enter: Record the mass shift step number to the comment 4) Ctrl + Del: Clear the comment 5) Ctrl + Shift + / : Record "?" to the comment 6) Enter: Reset the mass shift step to zero and go to the next row 1.7.2 27 Mar, 2020 - Fragment Calculator: Acquisition of the mol file data from HMDB and KEGG has been failed due to the change of their URLs to those of HTTPS. The issue was fixed. 1.7.1 6 Feb, 2020 - MFSearcher: Link to KNApSAcK database was changed to the newer one. 1.7.0_beta - The mass shift function: Preset and fold settings were added. - Multiple chromatogram files are selectable to open. - A 2D-mass chromatogram window is open at a bottom-right position of the active window - Recently opened file and directory are available. - Alignment function of the 2D-mass chromatogram window: The windows are displayed in different positions when they are overlapped. - Lines starting with "#" or "//", and blank lines are ignored in the Project file. - Mass Ruler Function: "Right shift" and "ppm (always-right)" settings were added. 1.6.1 9 Nov, 2018 - Save/Load project function for reconstruction of analyzing environment was added. - Copy/Export function for MSn spectra was imporoved. MS-FINDER (.mat) file can be exported too. 1.5.1 2 Dec, 2017 - The default value for 2D chromatogram color was changed. The default color strength is based on the 1/10 of the most intense ion. - The default setting for draw wait was reviewed. - The default value for load cutoff for MS2Viewer was changed. 1.5.0 29 Nov, 2017 - Tool bar is now available. - A function to align the 2D windows is added. 1.4.0 2 Nov, 2017 - mzML file is now acceptable. - Notice of the new version release is added. - System was modified for the new digit number of HMDB IDs. - A bug in the proxy setting in MFSearcher function was fixed. 1.3.2 16 May, 2017 - The FlavonoidSearchGUI (FsTool) was integrated. - System was modified for the change of mol file URLs in HMDB. 1.2.4 16 Jan, 2017 - Now MassChroViewer can run on MacOSX and Linux. 1.2.2 9 Jan, 2017 - The first version for publication with manual. 1.0.0 25 Dec, 2016 - GUI interfaces were revised. - Add/Delete function of peak is available. 0.10.1 23 Dec, 2016 - The direction of mouse wheel operation for 2D window was reviewed. - TogoMD-formatted peak-table file is acceptable as a Peak File. - A simple RT. and m/z data is acceptatble as a Peak File. 0.10.0 6 Dec, 2016 - JRAP mzXML parser was replaced with a house made one for properly opening the mzXML files converted with new versio of ProteoWizard software. The loading time is remarkably improved too. 0.9.2 3 Aug, 2016 - Search function in the peak table is available. 0.9.1 21 Nov, 2015 - UC2 database is now available in the MFSearcher function. To show the concise results where the same constitutional isomers between the compound databases were compiled in one record. 0.9.0 17 Nov, 2015 - Now users can modify the mass ruler settings. - Data loading and draw wait settings were added for low-spec PCs. - A function to reset the color strength of 2D window was added. 0.8.0 4 Apr, 2015 - Key board operation for checking peak list was added.