Processed databases
Atom-Mass pairs
Outputs for Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF415801
Synonyms: Butylparaben, 4-Hydroxybenzoate-butyl
Total mass: 194.2265
Formula: H14 C11 O3
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 111.0551,
Processing time: 0:00:01.624046
Results for the quried mass "77.0385"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.022 | 1 | 0 | C4,C6,C9,C10,C11,O13 |
| C5O1 | 0.022 | 1 | 0 | C4,C6,C9,C10,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C4,C6,C9,C10,C11,O12 |
| C5O1 | 0.022 | 1 | 0 | C5,C7,C9,C10,C11,O13 |
| C5O1 | 0.022 | 1 | 0 | C5,C7,C9,C10,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C5,C7,C9,C10,C11,O12 |
| C5O1 | 0.022 | 1 | 0 | C2,C3,C8,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C1,C2,C3,C8,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C3,C4,C8,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C3,C5,C8,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C7,C9,C10,O12 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C6,C7,C10,O12 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C7,C9,C11,O13 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C7,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C6,C9,C10,O12 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C8,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C4,C6,C8,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C6,C9,C11,O13 |
| C5O1 | 0.022 | 1 | 0 | C4,C5,C6,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C4,C6,C7,C9,C10,O12 |
| C5O1 | 0.022 | 1 | 0 | C5,C7,C8,C9,C11,O14 |
| C5O1 | 0.022 | 1 | 0 | C5,C6,C7,C9,C10,O12 |
| C6 | 0.065 | 5 | 1 | C4,C5,C6,C7,C9,C10 |
| C6 | 0.065 | 5 | 2 | C4,C5,C7,C9,C10,C11 |
| C6 | 0.065 | 5 | 2 | C4,C6,C7,C9,C10,C11 |
| C6 | 0.065 | 5 | 1 | C4,C5,C6,C7,C9,C11 |
| C6 | 0.065 | 5 | 2 | C4,C5,C6,C9,C10,C11 |
| C6 | 0.065 | 5 | 2 | C5,C6,C7,C9,C10,C11 |