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Thermo Scientific Poster Note
•
PN64230-MSACL-EN 0814S
Export of dat
ToxFinder MS2 spectra library
FIGURE 7
MS2
.
,
ToxFinder uses NIST application to store MS2 spectra
ToxFinder
.
summary r
ToxFinder Method Editor
Method editor is screening application specific and consists of 3 pages :
S
f
f
1. Method ettings to speci y compound identi ication parameters
2 Peak Detection to specify peak detection parameters
.
3 Reports to select reports
.
ToxFinder processing method provides semi quantitative results which can be
ole mass
-
l l t d b d ith
i
l
i t lib t
i
l t /i t
l
ca cu a e ase e er on a s ng e po n ca ra or us ng ana y e n erna
standard peaks ratio (area or height) or on internal standard amount in the
l
sample An example of the method editor for Full Scan Data Dependent
.
–
kfl
i
h i Fi
4 I thi
th d
d id tifi d b
wor ow s s own n gure . n s me o compoun s are en e ase on
me and ion
exact m/z, relative retention time, MS2 spectra and isotopic pattern. Semi-
Conclus
quantitative calculations will be performed using quantification coefficient
l l t d b d
l t
k /i t
l t d d k
f k
T Fi d f
ca cu a e ase on ana y e pea area n erna s an ar pea area or nown
ox n er so t
concentration. ToxFinder software provides the tool for automated
I t iti
concentration coefficient calculations and csv file output allowing easy transfer
n u ve w
re
of res lts to To Finder database
F t d t
u x
.
as a a
E d t
tuitive
FIGURE 4. ToxFinder method editor showing an example of processing
asy a a
cted on
method for application collecting Full scan and dd MS2 spectra
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MS
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ccuracy
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ccura e,
ch
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