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_S01_WasteWater_untreated_1-1_01_17941
pospos
Yes
N_S01_WasteWater_untreated_1-1_01_17943
negneg
Yes
P_Mock_231229_1_1-91_01_17937
pospos
Yes
P_Mock_231229_2_1-91_01_17959
pospos
Yes
N_Mock_231229_1_1-91_01_17939
negneg
Yes
N_Mock_231229_2_1-91_01_17961
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