Single ion chromatogram

Fig. 3.1.5. HS-SPME-GC-MS single-ion chromatograms of derivatised compounds from river water entering Sant Joan Despi...

Fig. la,b. FIA-MS single ion chromatogram of quinine (MW=324.2, C20H24N2O2) a single set of eight injections b full 96-well microtiter plate, obtained with a flow rate of 2 ml/min, and no split prior to sample introduction to the mass spectrometer. The switching valves were triggered at a rate of 0.8 s/sample. The peak widths were measured as 0.5 s at fwhm (a) and 0.9 s at the base (b). Reprinted with permission from K. Morand [31]... 

Single ion chromatograms, i.e. the variation in intensity of a single ion with time, may be generated to identify particular components in a complex mixture or to identify particular structural fragments and thereby draw attention to peaks of special interest (Fig. 6B). 

Fig. 6. Reconstructed total ion current trace (A) and a single ion chromatogram from mjz 91 (B) for a typical GC-MS run.

For the GC/MS, when the mass spectrometer is used as a detector during the chromatographic process in scan mode, the chromatogram can be displayed as a total ion chromatogram (TIC) or extracted (reconstructed) ion chromatogram for a specific m/z value. When the acquisition of the mass spectra has been done in SIM mode, a single ion chromatogram can be displayed. 

Figure 7.2.4. GC/MS traces for extracted single ion chromatograms corresponding to masses 202, 216,228, 252 in a cellulose pyrolysate subjected to clean-up and preconcentration for PAH analysis [21],...

Reconstructed ion chromatograms and single ion chromatogram data was accomplished with the INCOS Data System. 

Fig. 7. Six homologous series of monomethylalkanes have been tentatively identified in the HMWHC fractions. Single ion chromatograms of the ions at miz 56, 70, 84, 98 and 112 are used to illustrate the presence of these branched alkanes with the methyl group at carbon numbers 2, 3, 4, 5, 6 and 7 respectively.

Figure 10. Typical single ion chromatograms for selected masses for the capillary SFC-MS analysis in Figure 9.

By using single-ion chromatograms of these ions from a number of derivatives in combination with retention time measurements it was possible to identify most of the metabolites. 

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