Two-dimensional mass chromatogram images for all samples are available as Microsoft PowerPoint files.

MassChroBook (12 Mar 2020)


PowerGetBatch parameters

A set of parameter files for PowerGetBatch tool which was used for peak detection and alignment. The PowerGetBatch tool is available from the link page shown below.

PowerGetBatch parameter files


Previous data

The previous versions of the published data are available below. We archive the repository data irregularly when we overwrite the published data. This ensures the reproducibility of the data analysis performed with this repository.
Please note that we do not change the peak file set and the mass chromatogram data (.raw and .mzXML) available in the “LC-MS data” below.

manual_previousData_en.pdf(301 KB)
The user guide for use of the previous data. MB)
Published: 2020/04/05, Archived: 2022/04/18 MB)
Published: 2022/04/18, Archived: 2022/04/18


Retention time converter

This MS Excel file provides the retention time conversion between ThingMR and FoodMR/PlantMR. This is for your information, too, when you convert the retention time between XMRs and your own LC-MS system.
Note: The results are just approximated values and are not accurate.


LC-MS data

The list of detected peaks, raw mass chromatogram data (ThermoFisher .raw), and the mass chromatogram data converted to mzXML format are available for each sample. The mzXML files and the peak list files can be analyzed using MassChroViewer tool which is available below.

No. Category Name Image  
Apiaceae; leaf Parsley, leaf
Apiaceae; root Parsley, root
Asteraceae; leaf Leaf lettuce green
Poaceae; seed Rice, Koshihikari, brown rice
Poaceae; seed Rice, Nipponbare, brown rice
Poaceae; leaf Rice, Koshihikari, leaf
Poaceae; leaf Rice, Nipponbare, leaf
Brassicaceae; leaf Arabidopsis, shoot
Amaryllidaceae; leaf Japanese bunching onion (Jakkou), leaf
Amaryllidaceae; root Japanese bunching onion (Jakkou), root
Brassicaceae; root Little radish, Comet, root
Brassicaceae; leaf Little radish, Comet, leaf
Solanaceae; fruit Tomato, Micro-Tom, peel at red stage
Solanaceae; fruit Tomato, Micro-Tom, flesh at red stage
Solanaceae; flower Tomato, Micro-Tom, flower
Solanaceae; cell culture Tobacco, BY-2 cell, 3 days
Solanaceae; cell culture Tobacco, BY-2 cell, 7 days
medium Tobacco, culture medium, 0 days
medium Tobacco, culture medium, 3 days
medium Tobacco, culture medium, 7 days
Ginkgoaceae; leaf Ginkgo biloba, leaf
Selaginellaceae; leaf Selaginella moellendorffii
Funariaceae Physcomitrella patens, protonema
Funariaceae Physcomitrella patens, gametophore
Marchantiaceae Marchantia polymorpha, Takaragaike_1
medium Marchantia polymorpha, culture medium
Fabaceae Lotus japonicus
Salicaceae Populus nigra, sheedling, shoot


MassChroViewer tool

The mzXML data and the peak list data available above can be opened by the MassChroViewer software. Detailed information, such as exact peak position, raw MSn data for each scan can be seen, and further annotation looking at the chemical structures of candidate compounds can be performed with the tool. MassChroViewer is available free of charge for academic purposes.


PowerGetBatch tool

PowerGetBatch tool which was used for peak detection and alignment is available here. The tool is free of charge for academic purposes.