MB
spectrum |
Partition |
Partition Score |
Mass Error |
Feasibilty |
% Precursor |
SF1 |
SF2 |
SF3 |
SF4 |
SF5 |
Whole Formula |
SFmass1 |
SFmass2 |
SFmass3 |
SFmass4 |
SFmass5 |
Compound |
Pubchem CID |
CE |
EQ301554 |
2 |
42 |
0.3126 |
115 |
0 |
C3H6 |
C7H5NO2 |
CHNO |
C9H21NO |
|
C20H33N3O4 |
42.0463 |
135.0320 |
43.0063 |
159.1624 |
|
Celiprolol |
2663 |
60 |
EQ301554 |
3 |
41 |
0.2939 |
105 |
0 |
C2H4 |
C3H6 |
C7H5NO2 |
C8H18N2O2 |
|
C20H33N3O4 |
28.0318 |
42.0463 |
135.0320 |
174.1369 |
|
Celiprolol |
2663 |
60 |
EQ301554 |
4 |
39 |
0.4162 |
47 |
0 |
CHNO |
C10H11NO2 |
C9H21NO |
|
|
C20H33N3O4 |
43.0063 |
177.0783 |
159.1624 |
|
|
Celiprolol |
2663 |
60 |
EQ301554 |
5 |
38 |
0.4162 |
43 |
0 |
C2H4 |
C10H11NO2 |
C8H18N2O2 |
|
|
C20H33N3O4 |
28.0318 |
177.0783 |
174.1369 |
|
|
Celiprolol |
2663 |
60 |
EQ301554 |
6 |
38 |
0.3126 |
124 |
0 |
C2H2O |
C8H9NO |
CHNO |
C9H21NO |
|
C20H33N3O4 |
42.0100 |
135.0683 |
43.0063 |
159.1624 |
|
Celiprolol |
2663 |
60 |
EQ301554 |
7 |
37 |
0.2939 |
105 |
0 |
C2H4 |
C2H2O |
C8H9NO |
C8H18N2O2 |
|
C20H33N3O4 |
28.0318 |
42.0100 |
135.0683 |
174.1369 |
|
Celiprolol |
2663 |
60 |
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