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_cis-aconitic_acid_1-5_01_17060
pospos
Yes
N_S05_Std_cis-aconitic_acid_1-5_01_17062
negneg
Yes
P_Mock_230920_1_1-91_01_17032
pospos
Yes
P_Mock_230920_2_1-91_01_17078
pospos
Yes
N_Mock_230920_1_1-91_01_17034
negneg
Yes
N_Mock_230920_2_1-91_01_17080
negneg
Yes
*Used
The data files used for the peak detection and alignment in this website are marked with "yes". *Metadata
Sorry, but some pages are now under preparation.
Thing Metabolome Repository