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_S12_Kampo_114_1-12_01_12868
pospos
Yes
N_S12_Kampo_114_1-12_01_12870
negneg
Yes
P_Mock_220820_1_1-91_01_12796
pospos
Yes
P_Mock_220820_2_1-91_01_12874
pospos
Yes
N_Mock_220820_1_1-91_01_12798
negneg
Yes
N_Mock_220820_2_1-91_01_12876
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