Processed databases
Atom-Mass pairs
Outputs for Bergapten; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000160
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: 220.022888,232.25116,
Replicated queried mass peaks: 60.842361, 91.053642, 91.160294, 91.279549, 91.882858, 117.069511, 122.182632, 133.064301, 133.903305, 143.048386, 173.059341, 216.908951, 217.049103, 217.397232, 218.0522,
Processing time: 0:00:03.303298
Results for the quried mass "59.798897"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5 | 0.255 | 0 | 0 | C2,C4,C7,C8,C12 |
| C5 | 0.255 | 0 | 0 | C2,C7,C8,C9,C12 |
| C5 | 0.255 | 0 | 0 | C2,C6,C7,C9,C10 |
| C5 | 0.255 | 0 | 0 | C2,C3,C6,C7,C10 |
| C5 | 0.255 | 0 | 0 | C2,C3,C7,C8,C12 |
| C5 | 0.255 | 0 | 0 | C2,C3,C7,C10,C11 |
| C5 | 0.255 | 0 | 0 | C2,C3,C7,C11,C12 |
| C5 | 0.255 | 0 | 0 | C2,C6,C7,C10,C12 |
| C5 | 0.255 | 0 | 0 | C2,C7,C8,C10,C12 |
| C5 | 0.255 | 0 | 0 | C2,C3,C7,C10,C12 |
| C5 | 0.255 | 0 | 0 | C4,C6,C8,C9,C10 |
| C5 | 0.255 | 0 | 0 | C4,C7,C8,C10,C12 |
| C5 | 0.255 | 0 | 0 | C4,C5,C6,C8,C9 |
| C5 | 0.255 | 0 | 0 | C4,C5,C7,C8,C12 |
| C5 | 0.255 | 0 | 0 | C4,C6,C8,C9,C12 |
| C5 | 0.255 | 0 | 0 | C4,C7,C8,C9,C12 |
| C5 | 0.255 | 0 | 0 | C4,C5,C8,C9,C12 |
| C5 | 0.255 | 0 | 0 | C6,C7,C8,C9,C12 |
| C5 | 0.255 | 0 | 0 | C6,C7,C8,C10,C12 |
| C5 | 0.255 | 0 | 0 | C6,C7,C8,C9,C10 |
| C5 | 0.255 | 0 | 0 | C6,C7,C9,C10,C12 |
| C5 | 0.255 | 0 | 0 | C6,C8,C9,C10,C12 |
| C5 | 0.255 | 0 | 0 | C7,C8,C9,C10,C12 |