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_S02_Std_Trigonelline_1-2_01_20175
pospos
Yes
N_S02_Std_Trigonelline_1-2_01_20215
negneg
Yes
P_Mock_240802_1_1-91_01_20167
pospos
Yes
P_Mock_240802_2_1-91_01_20203
pospos
Yes
N_Mock_240802_1_1-91_01_20207
negneg
Yes
N_Mock_240802_2_1-91_01_20243
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