Processed databases
Atom-Mass pairs
Outputs for Quercetin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000170
Synonyms: Quercetin
Total mass: 302.2353
Formula: H10 C15 O7
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: 304.654175,316.210083,
Replicated queried mass peaks: 84.856705, 93.480858, 107.011978, 111.007339, 123.043892, 137.023117, 145.881287, 147.043289, 154.022125, 157.063766, 163.038818, 165.018051, 166.027969, 175.03952, 185.059052, 188.437698, 191.033768, 194.023621, 195.028763, 202.056183, 207.029343, 213.054626, 214.057083, 215.033829, 220.066223, 228.65593, 228.898315, 229.049408, 229.200089, 229.444595, 230.052673, 243.028748, 247.060135, 248.063736, 256.864441, 257.044373, 257.220856, 257.515808, 258.047363, 261.040924, 275.054688, 276.057404, 285.039246, 286.04245, 303.049774, 303.453339, 303.658844, 303.822784, 304.052979, 304.282349,
Processing time: 0:00:09.317168
Results for the quried mass "85.451431"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O3 | 0.413 | 1 | 0 | C13,C14,C15,O20,O21,O22 |
| C7 | 0.369 | 1 | 0 | C1,C6,C10,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C6,C11,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C3,C6,C8,C9,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C6,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C6,C8,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C6,C8,C9,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C3,C6,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C3,C6,C8,C9,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C3,C6,C9,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C3,C6,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C3,C6,C8,C14,C15 |
| C7 | 0.369 | 1 | 0 | C1,C2,C3,C6,C9,C14,C15 |
| C7 | 0.369 | 1 | 0 | C2,C3,C6,C8,C9,C14,C15 |
| C7 | 0.369 | 1 | 0 | C3,C6,C10,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C3,C6,C11,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C3,C6,C9,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C3,C6,C8,C9,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C4,C6,C10,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C4,C5,C7,C11,C12,C13,C14 |
| C7 | 0.369 | 1 | 0 | C4,C5,C7,C10,C12,C13,C14 |
| C7 | 0.369 | 1 | 0 | C4,C5,C7,C10,C11,C12,C13 |
| C7 | 0.369 | 1 | 0 | C4,C5,C10,C11,C12,C13,C14 |
| C7 | 0.369 | 1 | 0 | C4,C7,C10,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C4,C10,C11,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C4,C7,C10,C11,C12,C13,C14 |
| C7 | 0.369 | 1 | 0 | C5,C6,C11,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C5,C7,C11,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C5,C10,C11,C12,C13,C14,C15 |
| C7 | 0.369 | 1 | 0 | C5,C7,C10,C11,C12,C13,C14 |
| C7 | 0.369 | 1 | 1 | C6,C10,C11,C12,C13,C14,C15 |
| C4O2 | 0.370 | 5 | 1 | C1,C2,C8,C9,O17,O18 |
| C4O2 | 0.370 | 5 | 1 | C2,C3,C8,C9,O17,O18 |
| C4O2 | 0.370 | 5 | 1 | C4,C5,C7,C10,O16,O19 |