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_S04_Std_Citral_1-4_01_14285
pospos
Yes
N_S04_Std_Citral_1-4_01_14287
negneg
Yes
P_Mock_220820_1_1-91_01_14263
pospos
Yes
P_Mock_220820_2_1-91_01_14303
pospos
Yes
N_Mock_220820_1_1-91_01_14265
negneg
Yes
N_Mock_220820_2_1-91_01_14305
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