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_S03_EssOil_Grapefruit_1-3_01_13052
pos
Yes
N_S03_EssOil_Grapefruit_1-3_01_13054
neg
Yes
P_Mock_220820_1_1-91_01_13036
pos
Yes
P_Mock_220820_2_1-91_01_13142
pos
Yes
N_Mock_220820_1_1-91_01_13038
neg
Yes
N_Mock_220820_2_1-91_01_13144
neg
Yes
*Used
The data files used for the peak detection and alignment in this website are marked with "yes". *Metadata
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