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5
Qualitative Data Analysis
Select target and qualifier ions
82
Target ion
One target ion must be selected for each compound to be
quantified (target compound). Ideally, the target ion is
characteristic of the target compound and distinguishes it from
other compounds with similar retention times.
Qualifier ions
Qualifier ions are secondary characteristic ions present in the
mass spectrum of the target compound. The presence and
correct amounts relative to the target ion of these ions support
the identification of the correct target compound
Selection of peak and qualifier ions for Dodecane
Examination of the spectrum for Dodecane in
page 81 shows that Dodecane (mw = 170) molecular ion of 170 is
present and will be used as the target ion. The 85 ion at half the
mw of Dodecane is also significant and will be used as the
qualifier ion.
Selection of peak and qualifier ions for the other compounds
Repeat the procedures under
selecting the other compound peaks in our sample and
determining the target and qualifier ions for these compounds.
Suggested selections are shown in
set up a SIM acquisition and quantitative analysis later.
Table 4
Target and qualifier ion selections
Compound
Biphenyl
Dodecane
Chlorobiphenyl
Methyl Palmitate
Agilent G1701EA MSD Productivity ChemStation Familiarization Guide
"Analyze Data"
on page 79
Table 4
and will be used to
Target Ion
Qualifier Ion
154
153
170
85
188
152
270
87
Figure 38
on
Dwell time
60
60
60
60
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