Processed databases
Atom-Mass pairs
Outputs for Diethyl phthalate; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM835301
Synonyms: 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:
Processing time: 0:00:01.815740
Results for the quried mass "65.0385"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1 | 0.012 | 1 | 0 | C3,C7,C9,C11,O15 |
| C4O1 | 0.012 | 1 | 0 | C3,C9,C10,C11,O15 |
| C4O1 | 0.012 | 1 | 0 | C1,C3,C9,C11,O15 |
| C4O1 | 0.012 | 1 | 0 | C4,C8,C10,C12,O16 |
| C4O1 | 0.012 | 1 | 0 | C4,C9,C10,C12,O16 |
| C4O1 | 0.012 | 1 | 0 | C2,C4,C10,C12,O16 |
| C4O1 | 0.012 | 1 | 0 | C5,C7,C9,C11,O13 |
| C4O1 | 0.012 | 1 | 0 | C5,C7,C9,C11,O15 |
| C4O1 | 0.012 | 1 | 0 | C6,C8,C10,C12,O14 |
| C4O1 | 0.012 | 1 | 0 | C6,C8,C10,C12,O16 |
| C4O1 | 0.012 | 1 | 0 | C7,C9,C10,C12,O14 |
| C4O1 | 0.012 | 1 | 0 | C7,C9,C10,C12,O16 |
| C4O1 | 0.012 | 1 | 0 | C7,C9,C10,C11,O13 |
| C4O1 | 0.012 | 1 | 0 | C7,C9,C10,C11,O15 |
| C4O1 | 0.012 | 1 | 0 | C8,C9,C10,C11,O13 |
| C4O1 | 0.012 | 1 | 0 | C8,C9,C10,C11,O15 |
| C4O1 | 0.012 | 1 | 0 | C8,C9,C10,C12,O14 |
| C4O1 | 0.012 | 1 | 0 | C8,C9,C10,C12,O16 |
| C4O1 | 0.012 | 1 | 1 | C9,C10,C11,C12,O13 |
| C4O1 | 0.012 | 1 | 1 | C9,C10,C11,C12,O15 |
| C4O1 | 0.012 | 1 | 1 | C9,C10,C11,C12,O14 |
| C4O1 | 0.012 | 1 | 1 | C9,C10,C11,C12,O16 |
| C5 | 0.055 | 5 | 2 | C5,C7,C8,C9,C10 |
| C5 | 0.055 | 5 | 2 | C5,C6,C8,C9,C10 |
| C5 | 0.055 | 5 | 2 | C5,C6,C8,C10,C12 |
| C5 | 0.055 | 5 | 2 | C5,C6,C7,C9,C10 |
| C5 | 0.055 | 5 | 2 | C5,C6,C7,C9,C11 |
| C5 | 0.055 | 5 | 1 | C5,C6,C7,C8,C9 |
| C5 | 0.055 | 5 | 1 | C5,C6,C7,C8,C10 |
| C5 | 0.055 | 5 | 2 | C6,C7,C8,C9,C10 |