Processed databases
Atom-Mass pairs
Outputs for 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001971
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: 94.7,
Processing time: 0:00:03.117688
Results for the quried mass "96.9"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O3 | 0.149 | 1 | 0 | C2,C3,C7,C8,O12,O13,O14 |
| C4O3 | 0.149 | 1 | 0 | C3,C6,C7,C8,O12,O13,O14 |
| C2Cl2 | 0.043 | 2 | 2 | C4,C5,Cl9,Cl10 |
| C5O2 | 0.192 | 5 | 2 | C1,C3,C6,C7,C8,O12,O14 |
| C5O2 | 0.192 | 5 | 1 | C1,C3,C6,C7,C8,O13,O14 |
| C5O2 | 0.192 | 5 | 2 | C2,C3,C5,C7,C8,O12,O14 |
| C5O2 | 0.192 | 5 | 2 | C2,C3,C6,C7,C8,O12,O14 |
| C5O2 | 0.192 | 5 | 1 | C2,C3,C5,C7,C8,O13,O14 |
| C5O2 | 0.192 | 5 | 1 | C2,C3,C6,C7,C8,O13,O14 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C5,C6,C7,Cl10 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C5,C6,Cl11 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C5,C7,Cl10 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C5,C7,Cl9 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C5,C6,C7,Cl11 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C6,C7,Cl9 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C4,C5,C6,C7,Cl10 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C5,C6,Cl10 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C5,C6,Cl9 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C2,C4,C6,C7,Cl11 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C4,C5,C6,C7,Cl9 |
| C5Cl1 | 0.386 | 1 | 0 | C1,C4,C5,C6,C7,Cl11 |
| C5Cl1 | 0.386 | 1 | 0 | C2,C4,C5,C6,C7,Cl11 |
| C5Cl1 | 0.386 | 1 | 0 | C2,C4,C5,C6,C7,Cl9 |
| C5Cl1 | 0.386 | 1 | 0 | C2,C4,C5,C6,C7,Cl10 |