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 |
LU126601 |
2 |
68 |
0.0751 |
173 |
999 |
H3N |
CH-2O |
C14H11N |
|
|
C15H12N2O |
17.0264 |
25.9793 |
193.0892 |
|
|
Carbamazepine |
2554 |
15 |
LU126601 |
3 |
60 |
0.1667 |
80 |
999 |
H3N |
C14H8 |
CHNO |
|
|
C15H12N2O |
17.0264 |
176.0628 |
43.0057 |
|
|
Carbamazepine |
2554 |
15 |
LU126601 |
4 |
56 |
0.0917 |
142 |
999 |
H3N |
CO |
C14H9N |
|
|
C15H12N2O |
17.0264 |
27.9950 |
191.0735 |
|
|
Carbamazepine |
2554 |
15 |
LU126601 |
5 |
47 |
0.1168 |
114 |
999 |
H3N |
C14H6 |
CH3NO |
|
|
C15H12N2O |
17.0264 |
174.0471 |
45.0214 |
|
|
Carbamazepine |
2554 |
15 |
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