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_S03_Kampo_001_1-3_01_2197
pospos
Yes
N_S03_Kampo_001_1-3_01_2199
negneg
Yes
P_Mock_210610_1_1-31_01_2181
pospos
Yes
P_Mock_210610_2_1-31_01_2309
pospos
Yes
N_Mock_210610_1_1-31_01_2183
negneg
Yes
N_Mock_210610_2_1-31_01_2311
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