Processed databases
Atom-Mass pairs
Outputs for Diethyl-phthalate; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ367206
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: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 53.0021, 55.0179, 65.0385, 68.997, 80.0256, 121.0396, 122.0366,
Processing time: 0:00:02.238878
Results for the quried mass "111.044"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.074 | 7 | 0 | C2,C4,C6,C8,C10,C12,O14,O16 |
| C6O2 | 0.074 | 7 | 0 | C1,C3,C5,C7,C9,C11,O13,O15 |
| C8O1 | 0.033 | 1 | 0 | C3,C5,C6,C7,C8,C9,C10,C11,O15 |
| C8O1 | 0.033 | 1 | 0 | C1,C3,C5,C6,C7,C8,C9,C11,O15 |
| C8O1 | 0.033 | 1 | 0 | C1,C3,C5,C6,C8,C9,C10,C11,O15 |
| C8O1 | 0.033 | 1 | 0 | C3,C5,C6,C7,C9,C10,C11,C12,O15 |
| C8O1 | 0.033 | 1 | 0 | C3,C5,C6,C8,C9,C10,C11,C12,O15 |
| C8O1 | 0.033 | 1 | 0 | C4,C5,C6,C7,C8,C9,C10,C12,O16 |
| C8O1 | 0.033 | 1 | 0 | C2,C4,C5,C6,C7,C8,C10,C12,O16 |
| C8O1 | 0.033 | 1 | 0 | C2,C4,C5,C6,C7,C9,C10,C12,O16 |
| C8O1 | 0.033 | 1 | 0 | C4,C5,C6,C7,C9,C10,C11,C12,O16 |
| C8O1 | 0.033 | 1 | 0 | C4,C5,C6,C8,C9,C10,C11,C12,O16 |
| C8O1 | 0.033 | 1 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,O14 |
| C8O1 | 0.033 | 1 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,O16 |
| C8O1 | 0.033 | 1 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,O13 |
| C8O1 | 0.033 | 1 | 0 | C5,C6,C7,C8,C9,C10,C11,C12,O15 |
| C5O3 | 0.031 | 3 | 1 | C3,C9,C10,C11,C12,O14,O15,O16 |
| C5O3 | 0.031 | 3 | 1 | C3,C9,C10,C11,C12,O13,O14,O15 |
| C5O3 | 0.031 | 3 | 1 | C3,C9,C10,C11,C12,O13,O15,O16 |
| C5O3 | 0.031 | 3 | 1 | C4,C9,C10,C11,C12,O13,O15,O16 |
| C5O3 | 0.031 | 3 | 1 | C4,C9,C10,C11,C12,O13,O14,O16 |
| C5O3 | 0.031 | 3 | 1 | C4,C9,C10,C11,C12,O14,O15,O16 |