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_096_1-3_01_9372
pospos
Yes
N_S03_Kampo_096_1-3_01_9374
negneg
Yes
P_Mock_220318_1_1-91_01_9356
pospos
Yes
P_Mock_220318_2_1-91_01_9432
pospos
Yes
N_Mock_220318_1_1-91_01_9358
negneg
Yes
N_Mock_220318_2_1-91_01_9434
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