GC/MS Quality Control

A GC/MS workflow for Metabolomics applications includes a number of distinct steps: Experimental Design, Sampling, Sample Preparation, Data Acquisition, Data Processing, Deconvolution, Identification and Data Interpretation.

The GC/MS QC – Quant module of MsXelerator includes Quality control procedures and Analysis of Variance (ANOVA) to properly control each step in this workflow and to obtain reliable results for both Quantitation and Identification.

One of the key issues in GC/MS Data processing remains the precise and sensitive detection of all compounds present in a series of samples in combination with accurate deconvolution. GC/MS Quant performs automated deconvolution precisely and accurately, not seen in other software packages.

GC/MS QC – Quant Features:

  • Combine GC/MS Peak Picking and data processing in combination with ANOVA analysis of your experimental data (tech- and bio-replicates, different sample origin, treatment etc.)
  • Use of control samples and standards to check instrument performance (calibration of defined standard components, residual analysis, PCA). Combine different projects to see long term and short term variation of your instrument.
  • Full Data Set Accurate Peak Picking and Deconvolution based on peak heights or areas.
  • Library Search of deconvoluted MS spectra using a direct link with NIST Search.
  • Many graphical features and methods (PCA, PLS-DA etc.) to examine groupings and experimental variation in your data.