Processed databases
Atom-Mass pairs
Outputs for 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001970
Synonyms: 2,4,5-Trichlorophenoxyacetate, 2,4,5-Trichlorophenoxyacetic acid
Total mass: 255.4823
Formula: H5 C8 O3 Cl3
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 96.7, 195.2, 195.7,
Processing time: 0:00:03.005545
Results for the quried mass "92.6"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1 | 0.503 | 5 | 1 | C1,C2,C3,C4,C5,C7,O14 |
| C6O1 | 0.503 | 5 | 1 | C1,C2,C3,C5,C6,C7,O14 |
| C6O1 | 0.503 | 5 | 1 | C1,C2,C3,C6,C7,C8,O14 |
| C6O1 | 0.503 | 5 | 2 | C1,C3,C4,C6,C7,C8,O14 |
| C6O1 | 0.503 | 5 | 2 | C1,C3,C4,C5,C6,C7,O14 |
| C6O1 | 0.503 | 5 | 1 | C1,C2,C3,C4,C6,C7,O14 |
| C6O1 | 0.503 | 5 | 2 | C2,C3,C4,C5,C7,C8,O14 |
| C6O1 | 0.503 | 5 | 2 | C2,C3,C4,C5,C6,C7,O14 |
| C6O1 | 0.503 | 5 | 2 | C2,C3,C5,C6,C7,C8,O14 |
| C5O2 | 0.460 | 1 | 0 | C1,C3,C6,C7,C8,O12,O14 |
| C5O2 | 0.460 | 1 | 0 | C1,C3,C6,C7,C8,O13,O14 |
| C5O2 | 0.460 | 1 | 0 | C2,C3,C5,C7,C8,O12,O14 |
| C5O2 | 0.460 | 1 | 0 | C2,C3,C6,C7,C8,O12,O14 |
| C5O2 | 0.460 | 1 | 0 | C2,C3,C5,C7,C8,O13,O14 |
| C5O2 | 0.460 | 1 | 0 | C2,C3,C6,C7,C8,O13,O14 |