Processed databases
Atom-Mass pairs
Outputs for Quercetin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000169
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: 304.645721,
Replicated queried mass peaks: 109.028145, 112.695389, 137.023178, 153.018066, 158.265488, 159.044785, 161.347, 163.038925, 166.026428, 175.037735, 183.757446, 185.059891, 189.017212, 193.049271, 207.028702, 213.05452, 215.034042, 220.618973, 228.65918, 228.898651, 229.0495, 229.201508, 229.435577, 230.052673, 241.049515, 247.060287, 248.063309, 256.865631, 257.044464, 257.22287, 258.047913, 275.054779, 276.05954, 284.827362, 285.039429, 285.614594, 286.043427, 302.820099, 303.049957, 303.451752, 303.664825, 303.820557, 304.052979, 304.284363, 304.441467,
Processing time: 0:00:09.929411
Results for the quried mass "195.028671"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O5 | 0.120 | 7 | 2 | C4,C5,C7,C10,C11,C12,C13,C14,C15,O16,O19,O20,O21,O22 |
| C9O5 | 0.120 | 7 | 1 | C1,C2,C3,C6,C8,C9,C13,C14,C15,O17,O18,O20,O21,O22 |
| C11O4 | 0.079 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C11,C15,O16,O17,O18,O22 |