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 |
EQ359706 |
2 |
76 |
0.0500 |
253 |
0 |
C2H2 |
C5H4 |
C12H14O4 |
|
|
C19H20O4 |
26.0157 |
64.0312 |
222.0892 |
|
|
Benzyl-butyl-phthalate |
2347 |
90 |
EQ359706 |
3 |
76 |
0.0835 |
148 |
0 |
C5H4 |
C7H6 |
C7H10O4 |
|
|
C19H20O4 |
64.0312 |
90.0469 |
158.0580 |
|
|
Benzyl-butyl-phthalate |
2347 |
90 |
EQ359706 |
4 |
75 |
0.0499 |
561 |
0 |
C2H2 |
C5H4 |
C4H10O |
C8H4O3 |
|
C19H20O4 |
26.0157 |
64.0312 |
74.0732 |
148.0160 |
|
Benzyl-butyl-phthalate |
2347 |
90 |
EQ359706 |
5 |
75 |
0.0499 |
745 |
0 |
C2H2 |
C5H4 |
C5H10O2 |
C7H4O2 |
|
C19H20O4 |
26.0157 |
64.0312 |
102.0681 |
120.0211 |
|
Benzyl-butyl-phthalate |
2347 |
90 |
EQ359706 |
6 |
75 |
0.0399 |
1629 |
0 |
C2H2 |
C5H4 |
CO |
C4H10O |
C7H4O2 |
C19H20O4 |
26.0157 |
64.0312 |
27.9949 |
74.0732 |
120.0211 |
Benzyl-butyl-phthalate |
2347 |
90 |
EQ359706 |
7 |
57 |
0.0333 |
652 |
0 |
C7H6 |
C5H10O2 |
C7H4O2 |
|
|
C19H20O4 |
90.0469 |
102.0681 |
120.0211 |
|
|
Benzyl-butyl-phthalate |
2347 |
90 |
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