3
Thermo Scientific Poster Note
•
PN ASMS13_W122_MPrieto_e 07/13S
g of drugs of abuse in forensic
abuse and analyzed as dried
FIGURE 1. Prototype paper spray ion source (QuantIon Technologies, Inc., IN)
showing, clockwise from top left: paper spray ion source, mechanism for
dispensing solvent to the sample, paper cassette indicating sample deposition
and DBS-spotted paper cassette electrospraying into mass spectrometer inlet.
Results
Quantitative - Single drug
• Amitriptyline spiked in bovine blood and eva
pectrometry. Accurate mass full
ntification and confirmation of
ic™ TraceFinder™ 3.0 software
n to 100 ng/mL from dried blood
amitriptyline-
d
3
as the internal standard.
• Amitriptyline-spiked in MeOH/water (data n
yielded limits of quantitation (LOQ) of 10 ng
ng/mL for samples in blood.
• Variability in terms of %RSD (Std Dev/Mean
ng/mL from dried blood spots.
ration and no prior
e potential to identify compounds
stem is ideally suited for coupling
of solvent. Figure 2 displays amitriptyline da
Screening for drugs of abuse: resolving po
identification
Fi
3 h th t hi h d lt hi h l
ifies the mass spectrometric
nology is therefore attractive for
• gure s ows a g an u ra g reso
at
m/z
200) are required when evaluating s
sample preparation and no prior chromatog
• Results from TraceFinder, which can be use
analysis, are neatly summarized in Figure 4
d bl
d t
l
sample collection and storage of
ples to the forensic toxicology
tive analysis of small molecules
al fluids is possible without time
a ry oo spo samp e.
‘All Ion Fragmentation’ and isotopic patter
• Accurate mass m/z values were used for id
pattern matching and two fragments from th
aper-spray MS is fairly well
ntific triple quadrupole mass
s, full-MS instruments with
uited as rapid screening tools.
ass (HR/AM) full MS spectra for
confirmation (TraceFinder table Fig. 4).
• Figure 5 shows accurate mass fragmentatio
containing a mixture of 6 drugs.
• Fragments unique for a particular drug can
and cocaine.
ber of analytes in the method and
ry sensitive and fast Orbitrap
ology screening tool
FIGURE 2b. Quantitative results for
amitriptyline normalized by internal
t d d f
DBS l
C lib ti
• Other fragments are shared by a few of the
and methamphetamine, whose structures di
• Mass Frontier™ 7.0 software was used to g
using the “Generate Fragments and Mecha
the MS spectra
FIGURE 2a. MS spectra for the [M+H]
+
ion of amitriptyline at various
.
od (bovine blood Lampire
s an ar rom
samp es. a ra on
curve and %RSD variability (n=3) shown.
.
Screening for drugs of abuse at various co
• A drug mixture of six compounds was analy
forensic toxicology screening. Amphetamin
concentrations from DBS samples.
Acquired at 70,000 resolving power.
Mass accuracy 2-3 ppm
Amitriptyline
Y= -0.0519284+0.001756*X R^2=0.9933 W:1/X
9
,
5% of solvent in blood (v/v).
(500 ng/mL) as internal standard.
ded to paper cartridges, allowed
FIGURE 3. The use of higher resolving po
cocaethylene, codeine and PCP are shown
• This group of samples were detected by full
100
0
50
100
278.1911
278.1910
5000 ng/mL
2
3
4
5
6
7
8
AreaRatio
d into stackers that hold up to 40
re analysis and an applied high
p tip of the paper (Figure 1).
) methanol/water at pH 4 5
m/z
200), is required for the identification o
interference in MS experiment. Bovine blo
shown below. Resolving power from 17,50
bottom. The [M+H]
+
ion is highlighted by re
0
50
100
0
50
278.1910
1000 ng/mL
500 ng/mL
Level (ng/mL)
% RSD
amphetamine
PCP
0
1000
2000
3000
4000
5000
ng/mL
0
1
. .
cientific Exactive Plus benchtop
rio s resol ing po er settings
100
0
50
100
278.1909
278.1910
250 ng/mL
100 ng/mL
244.2284
244.2069
244 2071
nce
0
20
40
60
80
100 136.0738
136.1130
136 0738
17,500
RP
u
v w
,
positive ionization MS mode.
ted of 30 sec data collection,
entation (AIF) experiments.
at 70,000 resolving power and
0
50
100
0
50
278.2183
278.1909
278.2180
278 1911
50 ng/mL
.
244.2269
244.2068
80
100
0
20
40
60
80
100
Relative Abunda
.
136.1127
136.1055
136.1127
35,000
ergy of 43 eV.
contact closure trigger from the
50
100
0
50
100
.
278.2182
278.1909
278.2180
25 ng/mL
10 ng/mL
244.2268
244.2066
60
80
100
0
20
40
60 136.0739
136.1057
136.1127
136.0739
70,000
140 000
* No replicates available
calibur platform were used for
respectively. TraceFinder™ 3.0
and confirmation in the targeted
ermo Scientific™ MassFrontier™
278.15
278.20
m/z
0
244.15 244.20 244.25
m/z
244.2269
136.10
m/z
0
20
40
136.1056
136.0845
,
1...,159,160,161,162,163,164,165,166,167,168 170,171,172,173,174,175,176,177,178,179,...374