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_Std_Bergapten_1-5_01_15465
pospos
Yes
N_S05_Std_Bergapten_1-5_01_15467
negneg
Yes
P_Mock_230121_1_1-91_01_15449
pospos
Yes
P_Mock_230121_2_1-91_01_15517
pospos
Yes
N_Mock_230121_1_1-91_01_15451
negneg
Yes
N_Mock_230121_2_1-91_01_15528
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