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_S12_Std_AllylIsothiocyanate_1-12_01_16339
pospos
Yes
N_S12_Std_AllylIsothiocyanate_1-12_01_16341
negneg
Yes
P_Mock_230309_1_1-91_01_16317
pospos
Yes
P_Mock_230309_2_1-91_01_16333
pospos
Yes
N_Mock_230309_1_1-91_01_16319
negneg
Yes
N_Mock_230309_2_1-91_01_16335
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