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_S19_Kampo_002_1-19_01_2430
pospos
Yes
N_S19_Kampo_002_1-19_01_2432
negneg
Yes
P_Mock_210623_1_1-31_01_2318
pospos
Yes
P_Mock_210623_2_1-31_01_2448
pospos
Yes
N_Mock_210623_1_1-31_01_2320
negneg
Yes
N_Mock_210623_2_1-31_01_2450
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