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A Novel Screening Method for Anthropogenic Sewage Pollutants in Waste Water, Ground Water and Drinking Water Samples by LC–HRAM Analysis
used for fully automated data
experiments for targeted screening
dditional features like Isotopic Pattern
ectral libraries have been applied to
rate-mass data files are open to
such as Thermo Scientific™
mo Scientific™ Mass Frontier™
Inc, Wake Forest North Carolina)
ls from present accurate-mass
to drive investigation in different
f a sample set. Therefore, it is
This can be generated by using a
n MS2 experiment to have full
ithin a few square miles around a
g water drainage area, WWTP with its
an area where hospitals are located.
aterways including waterworks,
pounds of interest, which are known
zepine, Phenazone, Simazine, and
e environment and could be used as
the different locations (Figure 1) we
istics when we set the blank as a
the locations are well aligned. Trend
he different locations has been
shown as overlapped
btraction and framing before
mples
.
waste water treatment plant effluent
ssed through
the WWTP into the
In Figure 3, the performance of
is shown in detail. This feature is
TP effluent to its receiving water
liminated as well.
FIGURE 5. Targeted Screeni
The quantitation table in Figur
Carbamazepine within the inv
water ways and drinking water
and 59 ppt has been calculate
curve shows linear regression
Figure 7 shows the confirmati
n
e
River water after final effluent (Reference)
River water before final effluent (Background)
Reference minus Background:
“The Fingerprint”
FIGURE 3. Data processing receiving water sample (background subtraction)
Identify, Confirm & Quantitate in ExactFinder Software
ExactFinder software was used to extract from the raw data information for both
confirmation and quantitation in a single processing step. The processing method has
set retention time and exact mass and isotopic pattern as identification criteria and
spectral library matching using ddMS2 spectra as confirmation criteria. An example of
the method setup is shown in Figure 4.
FIGURE 4. ExactFinder Method Setup
FIGURE 6. Quantitation of C
In Figure 5, the extracted infor
an XIC (5 ppm). Isotopic patter
identification criteria in addition
standard samples.