Processed databases
Atom-Mass pairs
Outputs for 4-CPA; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000531
Synonyms: p-Chlorophenoxyacetate, 4-CPA, 4-Chlorophenoxyacetate
Total mass: 186.5921
Formula: H7 C8 O3 Cl1
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: 102.0, 104.7, 127.0, 185.2,
Processing time: 0:00:03.017605
Results for the quried mass "100.9"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O1 | 0.182 | 1 | 0 | C1,C2,C4,C5,C6,C7,C8,O12 |
| C7O1 | 0.182 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7,O12 |
| C7O1 | 0.182 | 1 | 0 | C1,C2,C3,C4,C5,C7,C8,O12 |
| C7O1 | 0.182 | 1 | 0 | C1,C2,C3,C5,C6,C7,C8,O12 |
| C7O1 | 0.182 | 1 | 0 | C1,C3,C4,C5,C6,C7,C8,O12 |
| C7O1 | 0.182 | 1 | 0 | C2,C3,C4,C5,C6,C7,C8,O12 |
| C4O3 | 0.180 | 5 | 1 | C3,C5,C7,C8,O10,O11,O12 |
| C4O3 | 0.180 | 5 | 1 | C4,C5,C7,C8,O10,O11,O12 |
| C4O1Cl1 | 0.397 | 1 | 0 | C1,C3,C6,C7,Cl9,O12 |
| C4O1Cl1 | 0.397 | 1 | 0 | C2,C4,C6,C7,Cl9,O12 |
| C5Cl1 | 0.354 | 5 | 1 | C1,C2,C3,C4,C6,Cl9 |