System version: 1.9.10

2024/2/6

Data update (any time)

2024/2/6: 962 samples are available.

Statistics

Items

	Positive	Negative	All
Published	962	962	962

Number of Peaks

	ESI Positive	ESI Negative	All
Total peak number	6,265,431	4,209,821	10,475,252
Average peak number (per published food items)	6,513	4,376	5,445
Peaks with MS/MS spectra	431,933	263,054	694,987
Peaks with compound database hits (KEGG, KNApSAcK, HMDB, LIPID MAPS, FlavonoidDB were searched with a 20 ppm-mass tolerance)	4,966,514	3,530,753	8,497,267

Update history

2024/2/6	New data were added, and 962 samples are available.
2023/2/17	A description of the metabolite extraction method for oily samples was added. New data were added, and 912 samples are available.
2022/10/24	These accuracy of retention time conversion between ThingMR and Food/PlantMR was a bit improved. New data were added, and 800 samples are available.
2022/09/27	These files are available on the Download page. - The sample list includes NCBI Taxonomy ID. - MS Excel file for converting the retention time between ThingMR and FoodMR/PlantMR.
2022/07/23	The column was replaced with a new one. The new column (2nd generation) was used for the samples whose IDs start with 226 or later. The coverage of MS/MS spectra was improved to approximately 7% by changing the parameters of PowerGetBatch software. Specifically, the mass tolerance for identifying the precursor ion was changed from 0.05 Da to 0.1 Da. As a result, the MS/MS spectra that have been dropped during this step are properly assigned now. The new data were added, and 734 samples are available.
2022/06/25	The coverage of MS/MS spectra was improved by changing the parameters of PowerGetBatch software. Specifically, the threshold value of the peak intensity for the best MS/MS spectral selection in the peak detection was changed to zero, and the threshold value in the peak alignment was changed to 100 from the previous value of 500. The new data were added, and 630 samples are available now.
2022/04/18	The system was updated to 1.9.0 with improvements below. The compound database search results were updated using the latest data of HMDB, LIPID MAPS, and KNApSAcK. Related peaks with a similar retention time, such as variations of adducts, were represented on the peak information page. The existence of related peaks is also indicated as Rel label in the peak list. The number of samples that contain similar peaks to the peak was added to the peak information. According to the data update mentioned above, we archived the previous data on the download page. On the peak information page, buttons to search similar peaks in FoodMR and PlantMR are added. The retention time of the peak in these external databases was calculated using the acetonitrile concentration. On the peak information page, a button to search the compound databases with a user-specified mass tolerance (in ppm) was added.
2022/03/05	A list of the standard compounds analyzed was added. The data from barley samples from NBRP were replaced with a recalculated ones because previous data might exclude many peaks due to carry over in mock data. Be careful that the peak IDs were reassigned for this modification. Data from 535 samples are available.
2021/08/23	The MassChroBook is now available. 172 samples are available.
2021/08/15	All data were updated. 128 samples are available. A fluctuation of retention time was observed in the previous data. There was also room for improvement of the MS/MS conditions. These two were reviewed and all samples were reanalyzed. A data was added.
2021/07/05	The system was updated to 1.5.4 with a minor fix of internal link. In total 111 samples are available.
2021/06/22	Most of the contents except detailed sample metadata and download files were prepared.
2021/06/07	The draft version was released.