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Atom-Mass pairs
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Submission id: SM808701
Outputs for Diphenylsulfone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM808701
Synonyms: Diphenylsulfone, Diphenyl sulfone, Benzenesulfonylbenzene
Total mass: 218.2712
Formula: H10 C12 S1 O2
Experimental information
MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 51.0232, 55.018, 78.0464, 79.0543, 81.0699, 95.0491, 106.0418, 107.0493, 126.0132,
Processing time: 0:00:02.965047
Results for the quried mass "94.0413"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C5S1 |
0.093 |
2 |
0 |
C1,C3,C7,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C1,C4,C8,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C1,C3,C4,C8,C11,S15 |
C5S1 |
0.093 |
2 |
0 |
C1,C3,C7,C8,C11,S15 |
C5S1 |
0.093 |
2 |
0 |
C1,C3,C4,C7,C11,S15 |
C5S1 |
0.093 |
2 |
0 |
C1,C4,C7,C8,C11,S15 |
C5S1 |
0.093 |
2 |
0 |
C2,C5,C9,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C2,C6,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C2,C5,C6,C10,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C2,C5,C9,C10,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C2,C5,C6,C9,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C2,C6,C9,C10,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C3,C7,C9,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C3,C7,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C3,C4,C7,C8,C11,S15 |
C5S1 |
0.093 |
2 |
0 |
C3,C7,C8,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C4,C8,C9,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C4,C8,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C4,C7,C8,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C5,C7,C9,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C5,C8,C9,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C5,C6,C9,C10,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C5,C9,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C6,C7,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C6,C8,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C6,C9,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C7,C8,C9,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C7,C8,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C7,C9,C10,C11,C12,S15 |
C5S1 |
0.093 |
2 |
0 |
C8,C9,C10,C11,C12,S15 |
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