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Table 2015.12C. Inclusion list used in the dd-MS
2
experiment for the target compound panel
Mass
(
m
/z)
Formula
Species
Charge
State
Polarity
Start
(min)
End
(min)
483.27143
C25H34N6O4
+ H
1
Positive
4.06
4.36
467.27652
C25H34N6O3
+ H
1
Positive
4.35
4.65
489.22785
C23H32N6O4S
+ H
1
Positive
4.72
5.02
505.22277
C23H32N6O5S
+ H
1
Positive
4.86
5.16
484.18584
C23H26ClN7O3
+ H
1
Positive
4.88
5.18
475.21220
C22H30N6O4S
+ H
1
Positive
4.92
5.22
489.22785
C23H32N6O4S
+ H
1
Positive
5.08
5.38
433.15065
C23H20N4O5
+ H
1
Positive
5.18
5.48
517.25915
C25H36N6O4S
+ H
1
Positive
5.73
6.03
519.23842
C24H34N6O5S
+ H
1
Positive
5.80
6.10
390.14483
C22H19N3O4
+ H
1
Positive
5.97
6.27
532.25882
C26H37N5O5S
+ H
1
Positive
7.78
8.08
521.19992
C23H32N6O4S2
+ H
1
Positive
8.60
8.90
505.20501
C23H32N6O3S2
+ H
1
Positive
8.92
9.22
1035.41752
C47H62N12O11S2
+ H
1
Positive
12.78
13.08
Candidates for 2016 Method of the Year
152