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_S13_Std_NicotinicAcid_1-13_01_8683
pospos
Yes
N_S13_Std_NicotinicAcid_1-13_01_8685
negneg
Yes
P_Mock_220210_1_1-91_01_8625
pospos
Yes
P_Mock_220210_2_1-91_01_8701
pospos
Yes
N_Mock_220210_1_1-91_01_8627
negneg
Yes
N_Mock_220210_2_1-91_01_8703
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