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_S11_Kampo_016_1-11_01_3981
pospos
Yes
N_S11_Kampo_016_1-11_01_3983
negneg
Yes
P_Mock_210906_1_1-31_01_3917
pospos
Yes
P_Mock_210906_2_1-31_01_3991
pospos
Yes
N_Mock_210906_1_1-31_01_3919
negneg
Yes
N_Mock_210906_2_1-31_01_3993
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