Processed databases
Atom-Mass pairs
Outputs for Bergapten; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000158
Synonyms: Bergapten
Total mass: 216.1892
Formula: H8 C12 O4
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 226.49585,236.681595,
Replicated queried mass peaks: 60.199467, 99.774223, 106.287399, 106.412018, 117.069473, 133.063858, 145.064453, 173.059433, 189.054672, 202.025894, 202.341263, 216.697327, 217.049194, 217.584747, 218.052353,
Processing time: 0:00:03.059370
Results for the quried mass "100.138748"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C5,C7,C8,C9,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C5,C6,C7,C9,C10,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C8,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C6,C7,C8,C9,C10,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C2,C6,C7,C8,C9,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C5,C7,C8,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C5,C6,C7,C9,C10,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C5,C7,C8,C9,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C9,C10,C11,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C9,C11,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C7,C8,C11,C12,O13 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C9,C10,C11,O13 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C9,C11,C12,O13 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C7,C8,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C9,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C5,C7,C8,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C5,C7,C8,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C6,C7,C8,C9,C10,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C6,C7,C8,C9,C10,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C7,C8,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C5,C6,C7,C8,C9,C10,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C5,C6,C7,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C5,C6,C7,C8,C9,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C5,C7,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C6,C7,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C6,C7,C8,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C7,C8,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C7,C8,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C8,C9,C10,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C9,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C5,C7,C8,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C8,C9,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C9,C10,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C10,C11,C12,O13 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C6,C7,C8,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C10,C11,C12,O13 |
| C7O1 | 0.064 | 0 | 0 | C2,C4,C5,C7,C8,C10,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C3,C4,C6,C8,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C3,C4,C7,C8,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C3,C7,C8,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C3,C6,C8,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C7,C8,C9,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C8,C9,C10,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C8,C9,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C3,C6,C7,C8,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C3,C6,C7,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C3,C6,C7,C8,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C7,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C6,C7,C8,C9,C10,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C4,C6,C7,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C4,C7,C8,C11,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C8,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C7,C8,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C8,C9,C10,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C8,C9,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C8,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C6,C7,C8,C9,C10,C11,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C6,C7,C8,C9,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C6,C7,C8,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C6,C8,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C7,C8,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C7,C8,C9,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C8,C9,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C8,C10,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C8,C9,C10,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C5,C6,C7,C8,C9,C10,C12,O15 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C8,C9,C10,O16 |
| C7O1 | 0.064 | 0 | 0 | C4,C5,C6,C7,C8,C10,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C6,C7,C8,C9,C10,C11,C12,O16 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C6,C7,C10,C11,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C9,C11,C12,O14 |
| C7O1 | 0.064 | 0 | 0 | C2,C3,C7,C8,C10,C11,C12,O14 |
| C8 | 0.022 | 4 | 0 | C2,C4,C5,C6,C7,C8,C9,C10 |
| C8 | 0.022 | 4 | 0 | C2,C3,C4,C6,C7,C8,C9,C10 |
| C8 | 0.022 | 4 | 1 | C2,C3,C6,C7,C8,C9,C10,C12 |
| C8 | 0.022 | 4 | 0 | C2,C3,C4,C5,C7,C8,C11,C12 |
| C8 | 0.022 | 4 | 1 | C2,C3,C6,C7,C8,C9,C10,C11 |
| C8 | 0.022 | 4 | 1 | C2,C3,C6,C7,C8,C9,C11,C12 |
| C8 | 0.022 | 4 | 0 | C2,C4,C5,C6,C7,C8,C9,C12 |
| C8 | 0.022 | 4 | 0 | C2,C4,C5,C6,C7,C8,C10,C12 |
| C8 | 0.022 | 4 | 1 | C2,C4,C6,C7,C8,C9,C10,C12 |
| C8 | 0.022 | 4 | 0 | C2,C3,C4,C6,C7,C8,C10,C12 |
| C8 | 0.022 | 4 | 0 | C2,C3,C4,C5,C7,C8,C10,C12 |
| C8 | 0.022 | 4 | 1 | C2,C3,C4,C7,C8,C10,C11,C12 |
| C8 | 0.022 | 4 | 1 | C2,C3,C6,C7,C9,C10,C11,C12 |
| C8 | 0.022 | 4 | 0 | C2,C3,C4,C5,C7,C8,C9,C12 |
| C8 | 0.022 | 4 | 0 | C2,C3,C4,C6,C7,C8,C9,C12 |
| C8 | 0.022 | 4 | 1 | C2,C3,C4,C7,C8,C9,C11,C12 |
| C8 | 0.022 | 4 | 1 | C4,C5,C6,C7,C8,C9,C10,C12 |
| C8 | 0.022 | 4 | 1 | C2,C3,C6,C7,C8,C10,C11,C12 |