BioMed Research International / 2013 / Article / Tab 3

Research Article

Estimation of Ion Competition via Correlated Responsivity Offset in Linear Ion Trap Mass Spectrometry Analysis: Theory and Practical Use in the Analysis of Cyanobacterial Hepatotoxin Microcystin-LR in Extracts of Food Additives

Table 3

Example of lines in the Expertomica metabolite profiling software PRT report for detected peaks of the MCYSTLR molecular ion of m/z 995 [M + H]+, the sodium adduct ion of m/z 509 , and the molecular ion with cleavage of the Adda moiety ion of m/z 861 [M + 2H − 135]+ for the measurement of MCYSTLR (0.01  g/mL) in Stigeoclonium sp. extract. The MCYSTLR molecular ion was detected with a probability factor of 0.952 (95.2% of the analyte signal). Expertomica metabolite profiling software also reports the relative content of the MCYSTLR molecular ion in the whole measurement, the values of the peak borders (start time and end time) in the time axis as well as the time of maximal intensity (RT), value of that maximal intensity, and peak area.

Mass Probability Relative content RT Begin time End time Max intensity Area

Peak 509.2 0.005 0.05847 17.1129 16.9146 17.5930 1693675
Peak 861.0 0.952 0.00296 17.0323 17.0179 17.1732 260411
Peak 995.7 0.952 0.00062 17.0323 17.0323 17.0395 256928