4
–
Example Applications
Thermo Scientific
Product Manual for IonPac AS31 Columns
Page 25 of 45
155007-01
For Research Use Only. Not for use in diagnostic procedures.
4.7.1
System, Conditions, and Consumables
4.7.2
Targeted SIM Inclusion List
Thermo Scientific
TM
Dionex ICS-5000
+
with Thermo Scientific
TM
Q Exactive
TM
HF-X Hybrid Quadrupole-Orbitrap
TM
Mass Spectrometer
Column:
Dionex IonPac AG31/AS31 (2 mm)
Eluent:
KOH Gradient (see timed events)
Suppressor:
Dionex ADRS 600, 2mm, external water, 0.3 mL/min
Suppressor Current:
64 mA
Analytical Flow Rate:
0.3 mL/min
Column Temp:
15
°
C
Injection Volume:
100 µL
Detector:
CD, Q Exactive
Q Exactive Tune Parameters:
Type:
Full MS (50-300 m/z) or t-SIM (with Inclusion List)
Resolution:
60,000 (Negative Polarity)
Max Inject Time: 330 ms (AGC Target 5e5)
Sheath Gas:
40 (Temp 100
°
C)
Aux Gas:
20 (Temp 100
°
C, No Sweep Gas)
Spray Voltage:
2.00 KV
Funnel RF:
40.0
Timed Events
Time
[KOH]
Divert Valve
-0.5 Begin
17.0
Eluent to Waste
0.0
17.0
4.0
17.0
Eluent to MS
7.0
17.0
8.6
Eluent to Waste
11.1
Eluent to MS
18.0
85.0
18.73
Eluent to Waste
21.73
Eluent to MS
40.0
85.0
Eluent to Waste
40.1
17.0
47.0 End
Full Scan (50-300 m/z, 60000 Res, Max IT = 330 ms) during non-SIM segments.
SIM Segments:
Time Range (min) Analyte
SIM m/z
ID of m/z (i=Isotope)
Diagnostic Fragments
5.7
– 6.6
MCAA
92.974
[M-H
+
]
-1
50.9819 (CH
2
37
Cl)
6.7
– 7.35
MBAA
136.924
[M-H
+
]
-1
78.919, 80.917 (Br
-
ions)
7.35
– 8.4
Bromate
126.903
[M-H
+
]
-1
110.909, 112.986 (BrO
2
-
ions)
11.1
– 12.3
Dalapon
140.952
[M-H
+
]
-1
96.9602 [M-CO
2
-H
+
]
-1
12.3
– 13.1
DCAA
126.936
[M-H
+
]
-1
80.975, 82.946 (CHCl
2
-
)
13.1
– 14.3
BCAA
172.883
[M-H
+
]
-1
abundant Br
-
i
128.893 [M-CO
2
-H
+
]
-1
14.3
– 15.5
DBAA
214.835
[M-H
+
]
-1
abundant Br
-
i
172.843 [M-CO
2
-H
+
]
-1
22.0
– 24.3
TCAA
118.904
[M-CO
2
-H
+
]
-1
abundant Cl
-
i
160.897 [M-H
+
]
-1
24.5
– 26.2
BDCAA
162.854
[M-CO
2
-H
+
]
-1
abundant Br
-
i
78.919, 80.917 (Br
-
)
27.7
– 30.3
DBCAA
206.804
[M-CO
2
-H
+
]
-1
abundant Br
-
i
78.919, 80.917 (Br
-
)
32.4
– 35.5
TBAA
250.754
[M-CO
2
-H
+
]
-1
abundant Br
-
i
78.919, 80.917 (Br
-
)
