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_S05_Wine_white_3_1-5_01_20187
pos
Yes
N_S05_Wine_white_3_1-5_01_20227
neg
Yes
P_Mock_240804_1_1-92_01_20169
pos
Yes
P_Mock_240804_2_1-92_01_20205
pos
Yes
N_Mock_240804_1_1-92_01_20209
neg
Yes
N_Mock_240804_2_1-92_01_20245
neg
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