Include on this page are many data files for processing. Annotated chromatograms are included with structures with comments
for some of the files.
Below are links to some of the applications for processing the files:
Processing Programs for Data Files
Link to Agilent QTOF MassHunter Data Processing Tutorial
Link to Thermo FreeStyle Data Processing Tutorial
Link to NIST26 EI Advanced Processing
Link to NIST26 Introductory Processing
Link to NIST26 Advanced Processing
Link to NIST26 Introductory Processing
(opens in new tab)
Some are large files and will have a long time to download!
Agilent MS/MS Files Native Format
Veterinary Sample Data File Agilent format
Forensics Sample Data File Agilent Format
Pesticide Sample Data File Agilent Format
Annotated Chromatograms for Components Identified in Above 3 Agilent Demo Files
Complex Mixture of Polyethylene Glycol Methyl Ether Ammonium Aducts in Agilent File Format
Complex Mixture of Polyethylene Glycol Methyl Ether Results Discussion
Uvinul 3000 Targeted MSMS Agilent Format
Annotated Chromatograms for Uvinul 3000 Results
Thermo MS/MS Files Native Format
Sample Data Files in Thermo Format
Results for Four Sample Data Files
MSMS Files from Pesticide Study for 23 Components
Results of Files from Pesticide Study for 23 Components
mzML MS/MS Files (Originally Agilent Files Converted with ProteoWizard)
Three Files in mzML format for NIST test
EI GC-MS Test Files netCDF and Agilent Formats
EI General Files
EI Drug Case Files
NIST Tutorial Files
High Resolution Files
Other Misc. Files
Chemical Drawing Programs