Submit Your GC-MS Spectra for Fast, Automated Profiling and Quantification
Select a biofluid library
For each biofluid, GC-AutoFit can run against a pre-generated reference library or your own custom library files. The built-in libraries include a broad set of compounds commonly found in each biofluid, while custom libraries can be tailored to specific subsets of compounds relevant to your study.
Upload custom library files
Upload your own custom Retention Index and Calibration Equations libraries. These can be generated using the Library Generator.
Upload Package
Upload one ZIP file containing alkane standards, an optional blank, and at least one sample spectrum. All files must be at the top level of the ZIP and follow the naming conventions described in the instructions. Up to 30 sample spectra are recommended per submission.
Required spectra:
- One alkane standards spectrum
alk-std.CDF, Alkstd.mzML, alkstd.mzXML - Optional blank spectrum
Blank.CDF, Blk.mzXML - One or more sample spectra with any naming convention, but in .CDF, .mzML, or .mzXML format
For more information on file naming conventions and formatting requirements, see the instructions page.
quantification_example_urine_samples.zip example Urine dataset collected and prepared by our team
quantification_example_serum_samples.zip example Serum dataset collected and prepared by our team