Page 171 - CRFTApplication Compendium_090613

5 Thermo Scientific Poster Note • PN ASMS13_W122_MPrieto_e 07/13S
ted at various concentrations using
FIGURE 4. TraceFinder 3.0 software results shown below. Data processed in
targeted screening analysis mode. All analytes in the mix are positively
identified by exact m/z values and confirmed by isotopic pattern and the
presence of two fragments from the AIF experiment. Each analyte appears twice
in the table below because acquired paper spray peak width is twice wider than
FIGURE 6. Accurate mass (3-4 ppm)
drugs detected down to 100 ng/mL.
hown) and blood (10–5,000 ng/mL)
for drug in solvent and LOQ of 25
0) is between <1 to 13% for drug out
maximum peak width supported by data processing software.
40
60
80
100 136.1126
40
60
80
100 150.1284
40
60
80
100 244.206
2441922
00 ng/mL
amphetamine P
Meth-
amphetamine
or dried blood spots.
r, accurate mass for compound
(70 000 d 140 000 FWHM 40
60
80
100
0
20
136.1055 136.1223
136.1125
40
60
80
100
0
20
150.1132
150.1282
40
60
80
100
0
20
2
244.1039
.
244.206
2
25
00 ng/mL g powers , an ,
les from complex matrices with no
hic separation.
r targeted or unknown screening
l six drugs are positively identified from 40
60
80
100
0
20 136.1054 136.1222
136.1337
136.1126
40
60
80
100
0
20
150.1130
150.1932
150.1495
150.1283
40
60
80
100
0
20
244.1915
244.207
2
244.1922
10
00 ng/mL
atching for compound confirmation
fication of screened drugs. Isotopic
IF experiment were used for drug 40
60
80
100
0
20
136.1055
136.1224
136.1338
136.1055
136.1127 40
60
80
100
0
20 150.1132
150.1367
150.1212
150.1284
150.0896
40
60
80
100
0
20
244.1553
244.
5
00 ng/mL
Isotopic pattern match
Simulation
Experimental
pectra by AIF for a DBS sample
dentified, examples shown for codeine
136.10
m/z
0
20
136.1339
136.1224
150.10 150.15 150.20
m/z
0
20
244.1 244.2
m/z
0
20
244.2070
244.1919
244.1554 1
Conclusion
• We have shown an easy to use techni
gs present, for example amphetamine
only by a methyl group.
rate potential fragments for each drug
s“ tool which were then compared to
FIGURE 5. Accurate mass fragments acquired through an ‘All Ion
Fragmentation’ experiment provide compound confirmation in the screening of
drugs. Sample is a mixture of six drugs analyzed from DBS. Examples of two
that shows extraordinary potential for
• The paper sample cassette allows for
and storage after drying. Once dry, th
ntrations
at 100, 500, 1000 and 2500 ng/mL for
ethamphetamine, cocaine,
unique fragments and two that are common to more than one drug are shown.
C i / 182 1176 C d i / 93 0340
Amphetamine,
80
90
100 119.0860
• Quantitation of drug out of dry blood s
experiment in the Exactive Plus mass
internal standard.
, e.g., 70,000 and 140,000 (FWHM at
his work.
down to 100 ng/mL levels (Figure 6). F: FTMS + p ESI Full ms2 1000.00@hcd43.00 [50.00-32 ...
70
80
90
100
ce
183.0998
O
O
oca ne, m z . o e ne, m z .
F: FTMS+ pESIFullms21000.00@hcd43.00 [50.00-32 ...
70
80
90
100
e
93.0706
93.0583
FTMS+p ESIFull ms2 1000.00@hcd43.00 [50.00-32 ...
methamphetamine, m/z 119.0855
20
30
40
50
60
70
119.0194
1189722
• High resolution and accurate mass ar
samples by MS and nicely compleme
drugs from dried blood spots.
rugs from DBS due to matrix
piked with six drugs, four drugs
5,000, 70,000 and 140,000 top to
ne.
codeine cocaethylene 20
30
40
50
60
Relative Abundan
182.1179
181.0087
N
O 20
30
40
50
60
Relative Abundanc
93.0340
OH
119.0 119.2
m/z
0
10
.
• Data collected in this screening applic
• Accurate mass fragments from an ‘All
same method as full MS) and isotopic
300.1592
300.2911
300.2190
300 1614
318.1711
318.1964
318.1391
318.2667
318 1716
181 182 183
m/z
0
10 182.9626
93.00 93.05 93.10 93.15
m/z
0
10
93.0109
identified by accurate mass.
• As the electrospray signal from paper
experiments can both be collected at
.
300.1810
300.2907
300.2186
300.1606
300 1433
.
318.1916
318.1432
318.2648
318.1715 Common fragment for amphetamine, cocaine,
codeine methamphetamine PCP m/z 91 0542
FTMS+p ESIFull ms2 1000.00@hcd43.00 [50.00-32 ...
70
80
90
100 91.0548
• The paper spray technique coupled wi
3.0 software provides a complete solu 300.2912 300.1794
.
300.1608
318.1414 318.2840318.2286
318.1711
, , , .
20
30
40
50
60 90.9774
For forensic toxicology use only.
All trademarks are the property of Thermo Fisher S
This information is not intended to encourage use o
intellectual property rights of others.
300.1 300.2 300.3
m/z
300.2910
300.2185 300.1431 300.3274
318.1 318.2 318.3
m/z
318.1417318.1907318.2836 90 91 92
m/z
0
10 92.0579 90.0922
91.6932 90.6349
91.2428