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Thermo Scientific Poster Note
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PN64230-MSACL-EN 0814S
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Mass Spectrometry
more colum
Method #1 on Thermo Scientific™ Q Exactive™ MS (Full Scan AIF)
4 scan events: Full Scan and All Ion Fragmentation (AIF) in both
•
- -
positive and negative ionization modes.
•Compounds are identified base on accurate m/z retention time
,
,
fragments in AIF spectrum and isotopic pattern.
l
more co um
Full scan +
AIF +
Full scan
-
AIF -
Method #2 on Q Exactive MS (Full Scan Data Dependent)
•4 scan events: 2 in positive and 2 in negative ionization mode
•Data dependent MS2 spectrum (ddMS2)
ToxFinder
.
C
d id tifi d b
t
/
t ti
ti
MS2
• ompoun s are en e ase on accura e m z, re en on me,
ToxFinder us
spectra and isotopic pattern.
ToxFinder
Method edito
Full scan +
ddMS2 +
Full scan
ddMS2
1. Metho
-
-
2 Peak .
3 Repor
.
ToxFinder pr
Method #3 on Thermo Scientific™ TSQ Endura™ triple quadrupole mass
l l t d b
spectrometer (SRM)
ca cu a e
standard pe
•2 SRM transitions for analytes and 1 SRM transition for internal
sample An e
standards
.
kfl
i
.
wor ow s s
•Compounds are identified base on SRM transitions, retention time and ion
exact m/z, re
ratio
quantitative
.
l l t d b
Data Analysis
ca cu a e
concentratio
D t
ll t d ith h f th b
i
li ti
concentratio
a a co ec e w eac o e a ove screen ng app ca ons were
of res lts to
processed using ToxFinder software (Figure 1).
u
The software was developed with special attention to provide intuitive
FIGURE 4. T
workflow and ease of use Software allows analysis of data collected on
method for
.
both the Q Exactive benchtop Orbitrap MS and triple quadrupole MS
instruments.
FIGURE 1 ToxFinder home page allowing user to select which
.
screening application to se
u .