UPLC-QTOF Analysis

Summary LC Gradient Information

No. of Samples 15 samples Time (min) 0.1% Formic Acid in Water (%) 0.1% Formic Acid in Acetonitrile (%)
Date Run 4-29-2023 Initial 99.0 1.0
Run by JCA 1.00 99.0 1.0
Run Information 3.00 85.0 15.0
Column Type Waters Acquity™ Premier BEH C18 Column with 6.00 50.0 50.0
VanGuard™ Fit 9.00 5.0 95.0
10.00 5.0 95.0
(1.7 µm, 2.1 x 100mm) 10.10 99.0 1.0
12.00 99.0 1.0
Ionization Mode Electrospray Ionization (ESI) Flowrate 0.30 mL/min
Polarity (Mass Range) Positive (100-1200 Da) Injection Volume 5.0 uL
MS Tune Settings Capillary Voltage: 0.40 kV Sample Concentration 1:2 ratio (sample-solvent ratio)

Sampling Cone: 35
Source Offset: 80
Source Temperature: 140 degrees C

Desolvation Gas Temperature: 600 degrees C

Cone Gas Flow Rate: 50 L/h

Desolvation Gas Flowrate: 800L/h

Instrument Waters XEVO G3 QTOF Mass Spectrometer with
Acquity UPLC I-Class
UM_Solvent_Blank_1 1: TOF MS ES+
100 BPI
6.70e7
%

6.32 10.54 11.25 11.32

10.87
6.01 11.73
9.89 10.06 10.28 10.99

0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_Solvent_Blank_2 1: TOF MS ES+
100 BPI
6.70e7
%

10.59 11.33
11.27
6.25 9.89 11.73
10.87
10.06 10.28
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_Solvent_Blank_3 1: TOF MS ES+
100 BPI
6.70e7
%

11.33
10.56
11.25
9.89 10.87 11.73
6.25 10.04
0 Time
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_CPX1_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

4.39 5.36 5.51 5.63 7.20 7.25 7.51 7.61

0.90
0.98 2.09 2.24 3.31 3.69 4.12 4.19 4.81 4.88 5.22
5.87 6.06 6.20
6.56 6.60
6.79
7.98 8.01 10.54 11.30
0.76 2.46 2.64 2.74 3.58 3.86 8.34 11.21
8.29 9.87
8.77 10.83 11.70
8.18 9.16 9.63 10.25
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_CPX4_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

1.19 1.36 4.24 4.39 4.50 4.79 6.25 6.34 6.98 7.53 8.03 11.28
0.76 0.90 1.60 2.02 2.10 2.79 3.58 3.69 4.10 5.20 5.36 5.60 5.79 6.05 6.77
7.41 7.65 8.11 10.54
3.07 4.98 7.87
2.60 3.86 6.44 7.36
3.34 9.87 10.83 11.68
8.51 10.25
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_CPX5_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

0.88
0.98 1.14 1.19 4.05 4.29 4.88 5.41 10.52 11.28
3.74 11.21
0.76 5.37 5.79
1.38 2.00 2.10 4.00 4.19 4.36 4.51 4.79 7.13 10.83 11.68
1.62 6.25 8.42 9.87
10.25
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_CPX6_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

0.91 0.98 5.41 10.52 11.28

1.16 1.22 4.63 5.22 11.21
0.76 4.81 6.25 9.87 10.83 11.68
1.39 1.64 3.64 3.79 4.51 5.86
0 Time
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_CPX1_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

4.39 4.50 6.37 7.11

1.14 1.29 4.08 4.94 5.39 7.41 7.53 7.77 7.92
0.88 1.38 1.67 2.09 2.46 2.89 3.39 3.74 4.20 4.77 5.01 5.51 5.79 6.05 6.22 6.56 6.77 6.92 8.01 8.08 11.28
0.76 2.64 7.36 7.65 10.51
2.29 5.29
1.79 5.99
9.63 10.83 11.68
9.28 9.87 9.94 10.23
8.34

0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_CPX4_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

6.43
5.53 5.60 6.65 7.13 7.42 7.54 8.17
0.76
0.90 1.17 1.39 2.00 2.26 2.60 3.41 3.72 4.12 4.29 4.50 4.81 4.91
5.17 6.10
6.20
6.29 6.87 10.51
5.94 11.27
1.64 3.15 7.77 7.87 11.49
3.95 5.86 8.39
2.48 8.44
2.81 9.87 10.83 11.75
9.20
10.23
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_CPX5_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

0.91 0.98 1.19 5.41 7.13 10.49

1.29 11.27
4.81 5.22
0.76 3.77
4.24 4.51 10.82 11.68
1.45 2.71 9.87
1.67 1.76 2.19 4.12 4.65 4.91 5.94 6.25 9.63 10.23
0 Time
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_MPX1_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

1.21 4.41 4.57 4.93 7.03

0.90 1.29 1.65 2.17 3.48 3.77 3.82 4.65 4.82 5.41 5.79 6.79 7.11 7.53 7.75 7.87 10.49 11.27
4.29 6.36 7.30 7.65
3.64 5.24 5.63 6.30 6.43 8.11
0.76 2.69 4.00 8.68 10.82 11.68
2.86 3.20 6.06 7.44 8.44 9.87
5.10 9.63 10.25
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_MPX4_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

1.17 4.10 4.26 4.62 5.22 5.34 5.81 7.10 7.41 7.61 7.82 8.03
0.88 1.07 1.26 1.83 2.10 3.39 3.72 4.48 4.74 5.53 6.10 6.30 6.34 6.68 6.96 7.30 8.11
3.07 3.88 6.60 8.27 11.27
2.77 5.08 10.47
8.51 8.63 10.83 11.68 11.75
9.87
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_MPX5_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

1.29 4.19 4.36

0.98 1.17 1.39 1.98 2.58 3.70 3.82 4.48 4.89 5.39 5.58 5.74 7.11 7.54 10.47 11.28
2.79 3.10 4.79 5.94 6.29 7.46 7.77
1.60
2.12 3.38 3.58 4.00 5.17 6.22
6.48 7.03 7.85 9.87 10.83 11.68
6.77 10.25
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_NU1_MPX6_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

4.39 4.79 6.77 6.98

1.26 1.33 3.62 3.74 3.81 4.27 4.50 4.88 4.94 5.37 5.79 5.87 6.25 7.11 7.53 7.60 8.27
7.85 10.47
8.08 11.27
6.10 6.58 7.36
9.87 10.82 11.68 11.75
0 Time
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_MPX1_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

1.16 4.62 4.77

1.29 2.09 3.69 4.08 4.29 4.48 4.86 4.93 5.20 5.37 5.60 5.79 6.77 7.11 7.42 7.54 7.85 11.27
5.91 6.22 7.08 10.46
6.29 7.34 7.77
3.88 5.06 6.48 8.03 10.83 11.68
8.27 9.87
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_MPX4_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

0.90 1.00 4.55 4.65 5.37 10.46

1.29 1.45 11.27
3.77 6.96
0.76 2.19 4.24 4.32 4.81 4.94 5.20 5.55 5.63 6.61 6.75 7.13 7.30 8.11 10.83
5.91 11.68
2.71 2.89 3.50 3.69 4.12 6.30 7.61 9.20 9.87
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_MPX5_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

0.98 1.31 4.50

0.88 1.19 1.39 3.70 4.19 4.62 4.77 5.20 5.39 7.03 7.10 7.54 8.04
4.88 8.27 10.46
1.62 6.68 11.27
0.76 3.41 3.58 4.08 5.60 7.75 7.85
2.48 3.12
4.93 5.79 5.91 6.29 6.51 6.77 7.30 8.80 9.87 10.83 11.68
0
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00
UM_SU1_MPX6_FullScan 1: TOF MS ES+
100 BPI
6.70e7
%

0.88 4.50
0.98 1.19 1.36 2.07 2.71 4.17 4.62 4.77 5.36 5.60 5.87 6.77 7.11 7.41 7.53 7.61 8.27
2.57 6.82 11.27
1.60 3.39 3.70 3.77 4.29 5.19 7.80 8.01 10.44
0.76 6.25 7.27
3.07 6.10 6.53 9.87 10.83 11.68
0 Time
-0.00 0.50 1.00 1.50 2.00 2.50 3.00 3.50 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00