Processed databases
Atom-Mass pairs
Outputs for Quercetin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB000221
Synonyms: Quercetin , 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Total mass: 302.2353
Formula: H10 C15 O7
Experimental information
MS type: MS2
Instrument: API QSTAR Pulsar i
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 55.016, 67.017, 68.996, 79.053, 83.014, 91.051, 97.028, 105.042, 108.021, 109.028, 111.013, 116.06, 117.067, 121.029, 123.043, 124.02, 126.04, 128.06, 129.06, 133.025, 136.017, 137.025, 139.051, 143.05, 145.062, 149.029, 151.039, 154.025, 156.055, 157.063, 160.054, 161.053, 165.021, 172.053, 173.061, 177.036, 184.055, 201.058, 219.044, 228.045, 230.056,
Processing time: 0:00:12.002250
Results for the quried mass "81.034"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.058 | 5 | 2 | C1,C3,C6,C8,C9,O17 |
| C5O1 | 0.058 | 5 | 1 | C1,C2,C3,C6,C9,O18 |
| C5O1 | 0.058 | 5 | 2 | C1,C2,C6,C14,C15,O21 |
| C5O1 | 0.058 | 5 | 1 | C1,C2,C3,C8,C9,O18 |
| C5O1 | 0.058 | 5 | 1 | C1,C2,C3,C8,C9,O17 |
| C5O1 | 0.058 | 5 | 2 | C1,C2,C6,C8,C9,O18 |
| C5O1 | 0.058 | 5 | 1 | C1,C2,C3,C6,C8,O17 |
| C5O1 | 0.058 | 5 | 2 | C1,C2,C6,C8,C15,O17 |
| C5O1 | 0.058 | 5 | 2 | C1,C3,C6,C14,C15,O21 |
| C5O1 | 0.058 | 5 | 2 | C1,C3,C6,C8,C9,O18 |
| C5O1 | 0.058 | 5 | 2 | C1,C3,C6,C9,C15,O18 |
| C5O1 | 0.058 | 5 | 2 | C1,C2,C3,C6,C15,O22 |
| C5O1 | 0.058 | 5 | 2 | C1,C2,C6,C8,C9,O17 |
| C5O1 | 0.058 | 5 | 2 | C2,C3,C6,C8,C9,O18 |
| C5O1 | 0.058 | 5 | 2 | C2,C3,C6,C8,C9,O17 |
| C5O1 | 0.058 | 5 | 2 | C4,C5,C7,C10,C11,O19 |
| C5O1 | 0.058 | 5 | 2 | C4,C5,C7,C11,C12,O16 |
| C5O1 | 0.058 | 5 | 2 | C4,C5,C10,C11,C12,O19 |
| C5O1 | 0.058 | 5 | 2 | C4,C5,C7,C10,C11,O16 |
| C5O1 | 0.058 | 5 | 2 | C4,C5,C7,C10,C12,O16 |
| C5O1 | 0.058 | 5 | 2 | C4,C5,C7,C10,C12,O19 |
| C4O2 | 0.015 | 1 | 0 | C1,C2,C8,C9,O17,O18 |
| C4O2 | 0.015 | 1 | 0 | C1,C6,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 0 | C2,C3,C8,C9,O17,O18 |
| C4O2 | 0.015 | 1 | 0 | C3,C6,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 0 | C3,C6,C9,C15,O18,O22 |
| C4O2 | 0.015 | 1 | 0 | C3,C6,C8,C9,O17,O18 |
| C4O2 | 0.015 | 1 | 0 | C4,C5,C7,C11,O16,O22 |
| C4O2 | 0.015 | 1 | 0 | C4,C10,C11,C12,O19,O22 |
| C4O2 | 0.015 | 1 | 0 | C4,C10,C12,C13,O19,O20 |
| C4O2 | 0.015 | 1 | 0 | C4,C5,C7,C10,O16,O19 |
| C4O2 | 0.015 | 1 | 0 | C4,C7,C10,C12,O16,O19 |
| C4O2 | 0.015 | 1 | 0 | C5,C11,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 0 | C5,C7,C11,C15,O16,O22 |
| C4O2 | 0.015 | 1 | 0 | C5,C10,C11,C12,O19,O22 |
| C4O2 | 0.015 | 1 | 0 | C5,C11,C12,C13,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C5,C7,C11,C12,O16,O22 |
| C4O2 | 0.015 | 1 | 0 | C6,C11,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 0 | C6,C13,C14,C15,O20,O21 |
| C4O2 | 0.015 | 1 | 1 | C6,C13,C14,C15,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C6,C13,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 0 | C10,C11,C12,C15,O19,O22 |
| C4O2 | 0.015 | 1 | 1 | C10,C11,C12,C13,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C10,C12,C13,C14,O20,O21 |
| C4O2 | 0.015 | 1 | 0 | C10,C12,C13,C14,O19,O21 |
| C4O2 | 0.015 | 1 | 0 | C10,C11,C12,C13,O19,O20 |
| C4O2 | 0.015 | 1 | 0 | C10,C11,C12,C13,O19,O22 |
| C4O2 | 0.015 | 1 | 0 | C10,C12,C13,C14,O19,O20 |
| C4O2 | 0.015 | 1 | 1 | C11,C13,C14,C15,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C11,C12,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 0 | C11,C12,C13,C14,O20,O21 |
| C4O2 | 0.015 | 1 | 0 | C11,C12,C13,C14,O21,O22 |
| C4O2 | 0.015 | 1 | 1 | C11,C12,C13,C15,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C11,C13,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 1 | C11,C12,C13,C14,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C12,C13,C14,C15,O21,O22 |
| C4O2 | 0.015 | 1 | 1 | C12,C13,C14,C15,O20,O22 |
| C4O2 | 0.015 | 1 | 0 | C12,C13,C14,C15,O20,O21 |