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_S08_Whisky3_1-8_01_14656
pospos
Yes
N_S08_Whisky3_1-8_01_14658
negneg
Yes
P_Mock_221115_1_1-91_01_14610
pospos
Yes
P_Mock_221115_2_1-91_01_14704
pospos
Yes
N_Mock_221115_1_1-91_01_14612
negneg
Yes
N_Mock_221115_2_1-91_01_14706
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