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Thermo Scientific Poster Note
•
PN64226-MSACL-EN 0814S
Table 3 Q Exactive Plus Targeted MS2 method properties used
.
-
.
Analyte
.
Targeted-MS2 Properties
BUP
Polarity
Positive
R ti
18
un me
secs
Resolution
17,500
NBUP
AGC Target
1e
5
M IT
60
ax.
ms
C l
MSX count
1
onc u
Isolation window
2.0 m/z
Isolation offset
0 5 m/z
Use of
.
channel
NCE
50
Quadru
method
assay i
s
67
The exc
. -
Data Analysis
i
respect
re 2)
Two major t-MS2 transitions per analyte were extracted from the MS
appropr
.
j t d i
raw files and data processing performed using Thermo Scientific™
ec e n
TraceFinder ™ Clinical Research version 3 1 quantitation software
It is exp
annel
.
.
E t
tifi
d lifi
i
t d i T bl 4 I
describ
ays
xac mass quan er an qua er ons are as no e n a e . on
t i i
.
ratios of these were used for confirmation.
con a n
F tu ure
which c
Table 4 Extracted t MS2 transitions used for quantitation and
signific
bil
.
-
, mo e
confirmation.
R f
A l t [M+H]+ P t E t Q tifi I
Q lifi I
e ere
na y e,
aren xac
uan er on
ua er on
Formula
Mass (m/z)
Exact Mass
Exact Mass
1 Yuan e
(m/z)
(m/z)
.
and 6-
Tandem
BUP,
4:3
C
29
H
42
NO
4
468 31084 396 21693
187 07536
.
.
.
.
NBUP
Surine
TM
is a
,
C H NO 414 26389 187 07536
211 07536
are the prop
25 36 4
.
.
.
Thi i f
t
s n orma
BUP-d4,
that might inf
C
29
H
38
2
H
4
NO
4
472 33594 400 24204
187 07536
.
.
.
For forensic
NBUP d3- ,
C H
2
H NO 417 28272 187 07536
211 07536
25 33 3 4
.
.
.