Processed databases
Atom-Mass pairs
Outputs for Triclosan; 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: SM824651
Synonyms: Triclosan, 5-chloro-2-(2,4-dichlorophenoxy)phenol
Total mass: 289.5415
Formula: H7 C12 O2 Cl3
Experimental information
MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:00.738531
Results for the quried mass "66.9831"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O2 | 0.040 | 1 | 0 | C10,C11,C12,O16,O17 |
| C3O2 | 0.040 | 1 | 0 | C4,C10,C12,O16,O17 |
| C3O2 | 0.040 | 1 | 0 | C6,C10,C12,O16,O17 |
| C4O1 | 0.083 | 3 | 1 | C1,C3,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 1 | C1,C3,C9,C11,O17 |
| C4O1 | 0.083 | 3 | 1 | C1,C3,C7,C11,O17 |
| C4O1 | 0.083 | 3 | 1 | C2,C4,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 0 | C2,C4,C10,C12,O16 |
| C4O1 | 0.083 | 3 | 0 | C2,C6,C8,C10,O16 |
| C4O1 | 0.083 | 3 | 1 | C2,C4,C10,C12,O17 |
| C4O1 | 0.083 | 3 | 1 | C2,C4,C8,C12,O17 |
| C4O1 | 0.083 | 3 | 1 | C3,C4,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 2 | C3,C10,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 1 | C3,C5,C9,C11,O17 |
| C4O1 | 0.083 | 3 | 2 | C3,C9,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 2 | C4,C9,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 0 | C4,C6,C10,C12,O16 |
| C4O1 | 0.083 | 3 | 1 | C4,C6,C10,C12,O17 |
| C4O1 | 0.083 | 3 | 2 | C4,C10,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 2 | C5,C9,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 2 | C5,C7,C9,C11,O17 |
| C4O1 | 0.083 | 3 | 2 | C6,C10,C11,C12,O17 |
| C4O1 | 0.083 | 3 | 2 | C6,C8,C10,C12,O17 |
| C4O1 | 0.083 | 3 | 1 | C6,C8,C10,C12,O16 |