Comprehensive combinatory standard correction: a calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems.
The current work describes a new method, the comprehensive combinatory standard correction (CCSC), for the correction of instrumental signal drifts in GC-MS systems. The method consists in analyzing together with the products of interest a mixture of n selected internal standards, and in normalizing the peak area of each analyte by the sum of standard areas and then, select among the summation operator sigma(p = 1)(n)C(n)p possible sums, the sum that enables the best product discrimination. The CCSC method was compared with classical techniques of data pre-processing like internal normalization (IN) or single standard correction (SSC) on their ability to correct raw data from the main drifts occurring in a dynamic headspace-gas chromatography-mass spectrometry system. Three edible oils with closely similar compositions in volatile compounds were analysed using a device which performance was modulated by using new or used dynamic headspace traps and GC-columns, and by modifying the tuning of the mass spectrometer. According to one-way ANOVA, the CCSC method increased the number of analytes discriminating the products (31 after CCSC versus 25 with raw data or after IN and 26 after SSC). Moreover, CCSC enabled a satisfactory discrimination of the products irrespective of the drifts. In a factorial discriminant analysis, 100% of the samples (n = 121) were well-classified after CCSC versus 45% for raw data, 90 and 93%, respectively after IN and SSC.
Deport
Coralie
C
Institut National de la Recherche Agronomique, laboratoire Typicité Aromatique et Authentification, UR QuaPA, F-63122 Saint Genès Champanelle, France.
Ratel
Jérémy
J
Berdagué
Jean-Louis
JL
Engel
Erwan
E
D000704:Analysis of Variance; D002138:Calibration; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*