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_S15_Kampo_112_1-15_01_12693
pospos
Yes
N_S15_Kampo_112_1-15_01_12695
negneg
Yes
P_Mock_220722_1_1-91_01_12599
pospos
Yes
P_Mock_220722_2_1-91_01_12699
pospos
Yes
N_Mock_220722_1_1-91_01_12601
negneg
Yes
N_Mock_220722_2_1-91_01_12701
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