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_S01_Kampo_017_1-1_01_4004
pospos
Yes
N_S01_Kampo_017_1-1_01_4006
negneg
Yes
P_Mock_210906_1_1-31_01_4000
pospos
Yes
P_Mock_210906_2_1-31_01_4076
pospos
Yes
N_Mock_210906_1_1-31_01_4002
negneg
Yes
N_Mock_210906_2_1-31_01_4078
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