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Thermo Scienti c Poster Note
•
PN ASMS13_M617_BDuretz_E 07/13S
Conclusion
The Q Exactive MS p
capabilities (up to 14
Data processing is pe
are identified and con
isotopic distribution, t
fragment ions.
HRAM LC/MSMS met
toxicology than Diode
SRMs methods.
Additional information
obtained by extractin
biotransformations
This HRAM method a
A new HRAM databa
perform targeted and
“For
Forensic Toxicology Use
Comparison between the
screening using a triple q
technology
We’ve analyzed and compa
the HRAM approach allowe
other approaches. We have
approach, 121 with the six t
triple quadrupole MS and 6
reported in Figure 7 where
number of positive hits obtai
DAD Approach
Fewer analytes have been i
(612 analytes). Sensitivity is
DAD may provide in some c
has been identified in DAD
approach is well known for i
in Figure 7, alprazolam is n
approaches.
Triple Quadrupole Approa
This approach gives good r
using this approach as the s
other approaches where ba
The identification is confirm
may have to inject the same
contain only 97 analytes. Th
is no capability for retrospec
HRAM Approach Using th
This approach is able to ide
library. But there are still so
in the data-dependent oper
scan was selected for fragm
compounds in the inclusion
analytes listed are isomers (
exactly the same exact mas
ions in MS
2
or elute at differ
ExactFinder 2.0 software wi
the mass accuracy is set an
like the one we have with p
identified with an accuracy
overcome with the launch of
accuracy is set by the user
TOXI-TUBES is a trademark of Agilent
trademarks are the property of Thermo
This information is not intended to enc
intellectual property rights of others.
XIC chromatogram for Diazepam
sotopic pattern (b) and fragment
ble to confirm the results by identifying
approach is simple. As the acquisition
f metabolites can be realized with the
eroretical
m/z
values for predicted
of metabolites identified from a single
adone and we have also been able to
.
(b)
(c)
FIGURE 7. List of analytes that have been identified among 39 samples
and confirmed using the 3 approaches: targeted screening in SRM, DAD
and Q Exactive screening.
rs :
pound/peak combination is identified
mpound/peak combination is
ound/peak combination is not
g XIC chromatogram for EDDP (a),
ith 5 ppm mass window.
(b)
(c)
0
2
4
6
8
10
Alprazolam
Aminoclonazepam
Amiodarone
Amitriptyline
Amoxapine
Bromazepam
Benzoyecgonine
Citalopram
Cocaïne
Codeine
Cyamemazine
Desvenlafaxine
Diazepam
EDDP
Estazolam
Hydrocodone
Hydroxyzine
Ketamine
Levopromazine
Lormatazepam
Loxapine
Maprotiline
MDMA
Methadone
Mianserine
Mirtazapine
Morphine
Norcodeine
Nordiazepam
Oxazepam
Paracetamol
Promethazine
Propranolol
Quinine
Temazepam
THC
Tramadol
Venlafaxine
Zolpidem
Zopiclone
Number of positive hits in DAD
Number of positivie hits in SRM
Number of positive hits on Q-Exactive
f