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 |
Small Neutral Loss |
Neutral Intensity |
Smallest Fragment |
Small Frag Intensity |
over |
under |
over intense |
Under intense |
dispersion |
LU106303 |
2 |
97 |
0.1251 |
228 |
999 |
CH2N2 |
CH-1N |
H3N |
C7H5N |
|
C9H9N5 |
42.0216 |
24.9952 |
17.0264 |
103.0422 |
|
PCID |
7064 |
45 |
42.0218 |
45 |
67.01703 |
21 |
3 |
2 |
116 |
108 |
42 |
LU106303 |
3 |
93 |
0.1667 |
128 |
999 |
CH2N2 |
CH2N2 |
C7H5N |
|
|
C9H9N5 |
42.0216 |
42.0216 |
103.0422 |
|
|
PCID |
7064 |
45 |
42.0218 |
45 |
67.01703 |
21 |
3 |
2 |
116 |
108 |
10 |
LU106303 |
4 |
92 |
0.1438 |
183 |
999 |
H3N |
CH-1N |
C2HN3 |
C6H6 |
|
C9H9N5 |
17.0264 |
24.9952 |
67.0170 |
78.0468 |
|
PCID |
7064 |
45 |
42.0218 |
45 |
67.01703 |
21 |
3 |
2 |
116 |
108 |
60 |
LU106303 |
5 |
91 |
0.1001 |
153 |
999 |
C2HN3 |
H3N |
C7H5N |
|
|
C9H9N5 |
67.0170 |
17.0264 |
103.0422 |
|
|
PCID |
7064 |
45 |
42.0218 |
45 |
67.01703 |
21 |
3 |
2 |
116 |
108 |
37 |
LU106303 |
6 |
85 |
0.1550 |
323 |
999 |
CH-1N |
H3N |
CH-1N |
CH2N2 |
C6H6 |
C9H9N5 |
24.9952 |
17.0264 |
24.9952 |
42.0216 |
78.0468 |
PCID |
7064 |
45 |
42.0218 |
45 |
67.01703 |
21 |
3 |
2 |
116 |
108 |
64 |
LU106303 |
7 |
83 |
0.1000 |
500 |
999 |
H3N |
H3N |
CH-1N |
C7H5N |
CH-1N |
C9H9N5 |
17.0264 |
17.0264 |
24.9952 |
103.0422 |
24.9952 |
PCID |
7064 |
45 |
42.0218 |
45 |
67.01703 |
21 |
3 |
2 |
116 |
108 |
75 |
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