How to collect GC-MS Spectra for GC-AutoFit

How to collect GC-MS Spectra for GC-AutoFit (GC-MS Sample Preparation Protocols)



Instruction for using User's Own Library

GC-AutoFit supports using your own library and calibration curve. In order to use this function, you must prepare your own compound library and calibration curve as per the following instructions.

Compound profiling library:

The libary file must be in CSV format and contain the following column names:

User deflib c0495ffd23a88328e487b5e91f0c0660d17ab8f267db952dd23445e1c2ddab36

Calibration curve:

GC-AutoFit quantifies metabolite concentrations using the relative peak area and a linear model described in the calibration curve file. This file must be in CSV format and contain the following columns:

User defcalcurves b4722a42c977623c9649661706cd70af912740d2fdc5cfe6f62bda55397ed4c7

Upload User's Own Library

Choose the "Upload Your Library" in under Select Biofluid and upload your 'Profile library' and 'Calibration curve' files. The compound name of the internal standard is also required to calculate an area ratio.

User uploadlib 5170d62b1d093b8d25b686766b4ac109c137c59f458d5910fb7df31de448c67e