Processed databases
Atom-Mass pairs
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: 2.0158Out 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 "53.0388"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4 | 0.043 | 5 | 2 | C1,C3,C7,C11 |
| C4 | 0.043 | 5 | 2 | C1,C4,C8,C11 |
| C4 | 0.043 | 5 | 1 | C1,C3,C4,C8 |
| C4 | 0.043 | 5 | 1 | C1,C3,C4,C7 |
| C4 | 0.043 | 5 | 2 | C2,C5,C9,C12 |
| C4 | 0.043 | 5 | 2 | C2,C6,C10,C12 |
| C4 | 0.043 | 5 | 1 | C2,C5,C6,C10 |
| C4 | 0.043 | 5 | 1 | C2,C5,C6,C9 |
| C4 | 0.043 | 5 | 2 | C3,C7,C8,C11 |
| C4 | 0.043 | 5 | 2 | C4,C7,C8,C11 |
| C4 | 0.043 | 5 | 2 | C5,C9,C10,C12 |
| C4 | 0.043 | 5 | 2 | C6,C9,C10,C12 |