Processed databases
Atom-Mass pairs
Outputs for Diethyl-phthalate; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ367252
Synonyms: Diethyl-phthalate, Diethyl phthalate, Diethyl benzene-1,2-dicarboxylate
Total mass: 222.2366
Formula: H14 C12 O4
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: 71.0503, 108.989, 135.0453, 147.0816, 151.0402, 177.0921,
Processing time: 0:00:02.507420
Results for the quried mass "77.0396"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.021 | 1 | 0 | C3,C5,C7,C9,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C3,C8,C9,C10,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C3,C9,C10,C11,C12,O15 |
| C5O1 | 0.021 | 1 | 0 | C1,C3,C7,C9,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C1,C3,C9,C10,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C3,C7,C9,C10,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C4,C6,C8,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C4,C7,C9,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C4,C9,C10,C11,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C2,C4,C8,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C2,C4,C9,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C4,C8,C9,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C5,C6,C8,C10,C12,O14 |
| C5O1 | 0.021 | 1 | 0 | C5,C7,C9,C10,C12,O14 |
| C5O1 | 0.021 | 1 | 0 | C5,C6,C8,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C5,C7,C9,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C5,C6,C7,C9,C11,O13 |
| C5O1 | 0.021 | 1 | 0 | C5,C6,C7,C9,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C5,C7,C9,C10,C11,O13 |
| C5O1 | 0.021 | 1 | 0 | C5,C7,C9,C10,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C6,C8,C9,C10,C11,O13 |
| C5O1 | 0.021 | 1 | 0 | C6,C8,C9,C10,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C6,C8,C9,C10,C12,O14 |
| C5O1 | 0.021 | 1 | 0 | C6,C8,C9,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C7,C8,C9,C10,C12,O14 |
| C5O1 | 0.021 | 1 | 0 | C7,C8,C9,C10,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C7,C8,C9,C10,C11,O13 |
| C5O1 | 0.021 | 1 | 0 | C7,C8,C9,C10,C11,O15 |
| C5O1 | 0.021 | 1 | 0 | C7,C9,C10,C11,C12,O13 |
| C5O1 | 0.021 | 1 | 0 | C7,C9,C10,C11,C12,O15 |
| C5O1 | 0.021 | 1 | 0 | C7,C9,C10,C11,C12,O14 |
| C5O1 | 0.021 | 1 | 0 | C7,C9,C10,C11,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C8,C9,C10,C11,C12,O14 |
| C5O1 | 0.021 | 1 | 0 | C8,C9,C10,C11,C12,O16 |
| C5O1 | 0.021 | 1 | 0 | C8,C9,C10,C11,C12,O13 |
| C5O1 | 0.021 | 1 | 0 | C8,C9,C10,C11,C12,O15 |
| C6 | 0.064 | 5 | 1 | C5,C6,C7,C8,C9,C10 |
| C6 | 0.064 | 5 | 2 | C5,C6,C8,C9,C10,C11 |
| C6 | 0.064 | 5 | 2 | C5,C6,C7,C9,C10,C12 |
| C6 | 0.064 | 5 | 1 | C5,C6,C7,C8,C9,C11 |
| C6 | 0.064 | 5 | 2 | C5,C6,C8,C9,C10,C12 |
| C6 | 0.064 | 5 | 1 | C5,C6,C7,C8,C10,C12 |
| C6 | 0.064 | 5 | 2 | C5,C7,C8,C9,C10,C12 |
| C6 | 0.064 | 5 | 2 | C5,C7,C8,C9,C10,C11 |
| C6 | 0.064 | 5 | 2 | C5,C6,C7,C9,C10,C11 |
| C6 | 0.064 | 5 | 2 | C6,C7,C8,C9,C10,C11 |
| C6 | 0.064 | 5 | 2 | C6,C7,C8,C9,C10,C12 |