The file includes the peak list, MSn data, and definition files of adduct ions detected for positive and negative modes. Please note that we do not change these download files even if we update the data, such as compound database search results. Please see the “Previous Data” to get the latest data.
Chromatogram Files
File Name
Mode
Used*
mzXML.zip
Metadata*
P_S08_Kampo_111_1-8_01_12559
pospos
Yes
N_S08_Kampo_111_1-8_01_12561
negneg
Yes
P_Mock_220722_1_1-91_01_12513
pospos
Yes
P_Mock_220722_2_1-91_01_12565
pospos
Yes
N_Mock_220722_1_1-91_01_12515
negneg
Yes
N_Mock_220722_2_1-91_01_12567
negneg
Yes
*Used
The data files used for the peak detection and alignment in this website are marked with "yes". *Metadata
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Thing Metabolome Repository