Processed databases
Atom-Mass pairs
Outputs for Quercetin; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000168
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: 304.285614,307.559784,
Replicated queried mass peaks: 109.711578, 111.007355, 137.023163, 147.045242, 161.579605, 163.038818, 166.026489, 166.957855, 185.058762, 195.028717, 213.054535, 217.04895, 229.04953, 230.052841, 243.029129, 248.062073, 257.044586, 258.048859, 275.055328, 286.042206, 302.456787, 303.049866, 303.64743, 303.818787, 304.052795, 304.646606,
Processing time: 0:00:09.014931
Results for the quried mass "109.028229"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.074 | 5 | 0 | C1,C2,C3,C6,C8,C9,O17,O18 |
| C6O2 | 0.074 | 5 | 1 | C1,C2,C3,C6,C9,C15,O18,O22 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C11,C14,C15,O21,O22 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C8,C11,C15,O17,O22 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C13,C14,C15,O20,O21 |
| C6O2 | 0.074 | 5 | 1 | C1,C2,C6,C8,C14,C15,O17,O21 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C8,C9,C15,O18,O22 |
| C6O2 | 0.074 | 5 | 2 | C2,C3,C6,C8,C9,C15,O18,O22 |
| C6O2 | 0.074 | 5 | 2 | C2,C3,C6,C8,C9,C15,O17,O22 |
| C6O2 | 0.074 | 5 | 1 | C1,C2,C3,C6,C8,C15,O17,O22 |
| C6O2 | 0.074 | 5 | 1 | C1,C2,C3,C6,C14,C15,O21,O22 |
| C6O2 | 0.074 | 5 | 1 | C1,C2,C6,C8,C9,C15,O17,O18 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C8,C9,C15,O17,O22 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C8,C14,C15,O17,O22 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C8,C14,C15,O21,O22 |
| C6O2 | 0.074 | 5 | 2 | C1,C2,C6,C13,C14,C15,O21,O22 |
| C6O2 | 0.074 | 5 | 1 | C2,C3,C6,C8,C9,C15,O17,O18 |
| C6O2 | 0.074 | 5 | 2 | C3,C5,C6,C7,C11,C15,O16,O22 |
| C6O2 | 0.074 | 5 | 2 | C3,C5,C6,C11,C14,C15,O21,O22 |
| C6O2 | 0.074 | 5 | 2 | C3,C5,C6,C9,C11,C15,O18,O22 |
| C6O2 | 0.074 | 5 | 2 | C3,C6,C8,C9,C14,C15,O17,O21 |
| C6O2 | 0.074 | 5 | 2 | C3,C6,C8,C9,C14,C15,O17,O18 |
| C6O2 | 0.074 | 5 | 2 | C3,C6,C8,C9,C14,C15,O18,O21 |
| C6O2 | 0.074 | 5 | 2 | C3,C6,C9,C13,C14,C15,O18,O21 |
| C9 | 0.076 | 1 | 0 | C1,C2,C4,C6,C10,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C5,C6,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C2,C3,C6,C8,C9,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C3,C6,C10,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C3,C6,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C3,C6,C8,C9,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C3,C6,C9,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C6,C10,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C6,C8,C10,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C6,C8,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C6,C8,C9,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C1,C2,C3,C6,C8,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C4,C6,C7,C10,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C5,C6,C7,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C4,C6,C10,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C4,C6,C9,C10,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C5,C6,C10,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C5,C6,C9,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C6,C8,C9,C10,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C6,C8,C9,C11,C12,C13,C14,C15 |
| C9 | 0.076 | 1 | 0 | C3,C6,C9,C10,C11,C12,C13,C14,C15 |
| C5O3 | 0.031 | 1 | 0 | C3,C6,C8,C9,C15,O17,O18,O22 |
| C5O3 | 0.031 | 1 | 0 | C3,C6,C9,C14,C15,O18,O21,O22 |
| C5O3 | 0.031 | 1 | 0 | C3,C6,C13,C14,C15,O20,O21,O22 |