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8
Optimizing a Generic Approach to Analyzing PPCPs in River Water Kelly
al Samples
ied to the
fluent
s confirmed by
nd example the
water and
eted
Figures 4 and 5
in preparation.
Propran
Ketam
T emazep
Nortripty
Diazep
Amitripty
ention time;
ase Peak
30
35
m/z 304.1543
00 µg/L Standard
m/z 182.1171
ent in Standard
m/z 304.1543
Water Sample
m/z 182.1171
t Confirmation
Water Sample
w : 3ppm
compounds in
both river and wastewater.
Figure 6 shows the presence of mephedrone in river water,
along with an unknown peak at 8.6 min which has the same
accurate mass as mephedrone. Comparing a spiked
sample with a blank sample it is clear that the intensity of
the mephedrone peak increases accordingly whereas the
unknown peak stays constant, confirming the presence of
mephedrone within the river water. Mephedrone was also
detected in influent water, with confirmatory fragment ions
(m/z 160.1117 and 145.0883). Again, an unknown peak
was present at a similar retention time to that observed in
river water. Therefore, this shows that even with HRMS, the
optimization of separation conditions is still very important.
Ongoing efforts aim to apply this method in a quantitative
analysis of both sample types once a complete analyte list
is determined based on actual occurrence data.
Conclusion
A developed ‘semi
-
targeted’ analytical method was used to
confirm the presence of several medicinal and illicit species
in both river water and influent wastewater. The potential of
non-target retrospective analysis was also highlighted with
FIGURE 6. Chromatograms indicating the presence of
the illicit drug mephedrone within river water and
influent wastewater.
0
5
10
15
20
25
30
35
Time (min)
0
50
100
0
50
100
0
50
100
% Relative Abundance
0
50
100
tR: 6.75
AA: 5011184
AH: 343172
BP: 178.1223
t
R : 6.80
AA: 1743875
AH: 121215
BP: 178.1223
t
R : 8.62
AA: 315901
AH: 58502
BP: 178.1224
t
R : 8.10
AA: 1845674
AH: 155293
BP: 178.1226
t
R : 8.60
AA: 451103
AH: 60615
BP: 178.1224
t
R : 6.77
AA: 247214
AH: 10447
BP: 178.1225
t
R : 6.99
AA: 1166635
AH: 108908
BP: 178.1226
178.1226
100 µg/L Standard
m/z 178.1225
River Water Spike
m/z 178.1225
River Water Blank
m/z 178.1225
Influent Blank
Confirmed with m/z 160 and 145
fragments
O
H N
Mass Extraction Window : 3ppm