Data Express Report Page 1 of 3

TIC
Jaqueline_310823_B.datx 2023.08.31 18:17:51;
ESI - Settings for compounds with low temperature and high fragmentation stability using source type ESI Negative.
6.2E8; 46.39; 304.8
4.7E8; 42.64; 304.8
3.7E8; 56.83; 99.9
800E6 4.6E8; 39.27;4.2E8;
99.9 44.41; 304.8
4.6E8; 25.63; 99.9
Intensity (c/s)

2.8E8; 37.56; 99.9

3.6E8; 23.99; 99.9 3.6E8; 31.10; 99.9
600E6
3E8; 9.11; 99.9
400E6

200E6
YYYYYYYYYYYYYY
.00 3.33 6.67 10.00 13.33 16.67 20.00 23.33 26.67 30.00 33.33 36.67 40.00 43.33 46.67 50.00 53.33 56.67
Time(min)

Time (Peak Maximum Time (Peak Peak Area % Peak Area Peak Base Peak Label
Maximum Intensity (c/s) Centroid Resolution Mass (m/z)
M:S/Minutes) M:S/Minutes)
9.03 3E8 9.11 7.7E9 5.7 57.1 99.9
23.95 3.6E8 23.99 5.3E9 3.9 33.2 99.9
25.54 4.6E8 25.63 6.4E9 4.7 34.5 99.9
30.88 3.6E8 31.10 1.2E10 8.6 61.1 99.9
37.47 2.8E8 37.56 4.3E9 3.2 30.6 99.9
39.07 4.6E8 39.27 1.5E10 10.9 16.4 99.9
42.63 4.7E8 42.64 5.9E9 4.4 34.5 304.8
44.45 4.2E8 44.41 1.1E10 8.3 57.1 304.8
46.50 6.2E8 46.39 2E10 14.9 27.0 304.8
56.62 3.7E8 56.83 9.9E9 7.3 20.8 99.9

Chromatogram TIC
SC_T0_SMX_FC5.datx;
ESI + Settings for compounds with typical temperature and fragmentation stability using source type ESI Positive.
3E10; 1.08; 142.8

40E9
35E9 9.9E9; 1.38; 253.6
Intensity (c/s)

30E9
25E9
20E9
15E9
10E9
YYYYYYYYYYYYYYYYY
.00 .17 .33 .50 .67 .83 1.00 1.17 1.33 1.50 1.67 1.83 2.00 2.17 2.33 2.50
Time(min)

Time (Peak Maximum Time (Peak Peak Area % Peak Area Peak Base Peak Label
Maximum Intensity (c/s) Centroid Resolution Mass (m/z)
M:S/Minutes) M:S/Minutes)
1.05 3E10 1.08 3.1E11 70.3 14.1 142.8
1.38 9.9E9 1.38 1.3E11 29.7 7.0 253.6
Data Express Report Page 2 of 3

TIC
SC_T5_SMX_FC.datx 2023.08.18 15:38:36;
ESI + Settings for compounds with typical temperature and fragmentation stability using source type ESI Positive.
6.7E10; 1.04; 191.9

70E9
60E9
Intensity (c/s)

50E9
40E9
30E9
20E9
10E9 YYYYYYYYYYYYYYYYYYYYYYYYYYYYYYYYYYY
.17 .33 .50 .67 .83 1.00 1.17 1.33 1.50 1.67 1.83 2.00 2.17 2.33
Time(min)

Time (Peak Maximum Time (Peak Peak Area % Peak Area Peak Base Peak Label
Maximum Intensity (c/s) Centroid Resolution Mass (m/z)
M:S/Minutes) M:S/Minutes)
1.00 6.7E10 1.04 1.1E12 100.0 15.2 191.9
Data Express Report Page 3 of 3

Spectrum RT 10.65 - 11.87 {56 scans} - Background Subtracted 8.99 - 9.94

Jaqueline_310823_B.datx;
ESI - Settings for compounds with low temperature and high fragmentation stability using source type ESI Negative. Max: 1E6
1151.2
100

80
Intensity (%)

352.8 1150.0 1230.9

174.7
60
200.9 354.7
40 328.8
170.6
355.6
20

0
100 200 300 400 500 600 700 800 900 1,000 1,100 1,200 1,300 1,400
m/z

Spectrum RT 1.34 - 1.62 {17 scans} - Background Subtracted 1.92 - 2.20

SC_T0_SMX_FC5.datx;
ESI + Settings for compounds with typical temperature and fragmentation stability using source type ESI Positive. Max: 5.7E7
253.7
100

80
Intensity (%)

60
155.8
40
115.0 254.9
20 220.0
139.8 294.7 395.2 507.3 591.1
0
100 200 300 400 500 600 700 800 900 1,000 1,100
m/z

Background RT 1.75 - 2.34 {35 scans}

SC_T5_SMX_FC.datx;
ESI + Settings for compounds with typical temperature and fragmentation stability using source type ESI Positive. Max: 3.1E7
191.6
100

80
Intensity (%)

60 142.9

40 134.8 212.2
171.2 194.9 231.7
20 146.8 253.9 305.8

0
140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540
m/z