Processed databases
Atom-Mass pairs
Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000047
Synonyms: Biochanin_A
Total mass: 284.263
Formula: H12 C16 O5
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:
Replicated queried mass peaks: 80.396629, 80.646858, 122.274773, 123.043831, 133.064133, 149.023209, 153.017914, 163.038757, 170.021103, 199.074921, 215.069824, 243.06572, 252.604919, 253.049515, 257.080627, 261.869904, 269.044586, 269.860046, 270.052307, 270.247955, 271.055664, 284.543274, 284.728546, 284.866699, 285.075531, 285.285645, 285.606903, 285.869934, 286.078552,
Processing time: 0:00:06.201740
Results for the quried mass "79.054626"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.022 | 3 | 1 | C2,C8,C9,C12,C14,O21 |
| C5O1 | 0.022 | 3 | 0 | C2,C3,C5,C9,C11,O20 |
| C5O1 | 0.022 | 3 | 0 | C2,C3,C4,C5,C11,O20 |
| C5O1 | 0.022 | 3 | 0 | C2,C3,C4,C9,C11,O20 |
| C5O1 | 0.022 | 3 | 0 | C2,C3,C8,C9,C12,O21 |
| C5O1 | 0.022 | 3 | 1 | C2,C3,C9,C12,C16,O19 |
| C5O1 | 0.022 | 3 | 0 | C2,C4,C8,C9,C12,O21 |
| C5O1 | 0.022 | 3 | 1 | C2,C4,C9,C12,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C2,C4,C9,C11,C12,O20 |
| C5O1 | 0.022 | 3 | 1 | C2,C8,C9,C12,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C2,C8,C9,C12,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C2,C9,C12,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 0 | C2,C4,C5,C9,C11,O20 |
| C5O1 | 0.022 | 3 | 1 | C3,C8,C9,C12,C14,O21 |
| C5O1 | 0.022 | 3 | 0 | C3,C5,C8,C9,C12,O21 |
| C5O1 | 0.022 | 3 | 1 | C3,C5,C9,C12,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C3,C5,C9,C11,C12,O20 |
| C5O1 | 0.022 | 3 | 1 | C3,C8,C9,C12,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C3,C8,C9,C12,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C3,C9,C12,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 0 | C3,C4,C5,C9,C11,O20 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C8,C10,C14,O21 |
| C5O1 | 0.022 | 3 | 1 | C6,C8,C13,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C10,C13,C14,O18 |
| C5O1 | 0.022 | 3 | 1 | C6,C7,C10,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C10,C14,C15,O17 |
| C5O1 | 0.022 | 3 | 1 | C6,C7,C10,C13,C14,O21 |
| C5O1 | 0.022 | 3 | 1 | C6,C7,C13,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C13,C14,C15,O18 |
| C5O1 | 0.022 | 3 | 2 | C6,C10,C13,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 2 | C6,C10,C13,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C6,C10,C13,C14,C15,O17 |
| C5O1 | 0.022 | 3 | 1 | C6,C10,C13,C15,C16,O17 |
| C5O1 | 0.022 | 3 | 2 | C6,C12,C13,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C6,C12,C13,C15,C16,O18 |
| C5O1 | 0.022 | 3 | 2 | C6,C13,C14,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 2 | C6,C13,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C10,C13,C14,O17 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C10,C13,C15,O17 |
| C5O1 | 0.022 | 3 | 0 | C6,C7,C10,C13,C15,O18 |
| C5O1 | 0.022 | 3 | 1 | C6,C10,C13,C14,C15,O18 |
| C5O1 | 0.022 | 3 | 1 | C6,C10,C13,C15,C16,O18 |
| C5O1 | 0.022 | 3 | 1 | C6,C13,C14,C15,C16,O18 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C9,C12,C14,O21 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C12,C14,C16,O21 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C10,C12,C14,O21 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C12,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C13,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 1 | C7,C10,C13,C14,C15,O18 |
| C5O1 | 0.022 | 3 | 2 | C7,C10,C14,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C7,C10,C13,C14,C15,O17 |
| C5O1 | 0.022 | 3 | 1 | C7,C10,C14,C15,C16,O17 |
| C5O1 | 0.022 | 3 | 2 | C7,C12,C14,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 2 | C7,C12,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C7,C13,C14,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 1 | C7,C13,C14,C15,C16,O18 |
| C5O1 | 0.022 | 3 | 1 | C7,C8,C10,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 2 | C7,C10,C13,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 2 | C7,C10,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C7,C13,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C8,C12,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 1 | C8,C12,C13,C15,C16,O18 |
| C5O1 | 0.022 | 3 | 2 | C8,C9,C12,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 2 | C8,C12,C13,C14,C15,O21 |
| C5O1 | 0.022 | 3 | 2 | C8,C12,C13,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 2 | C8,C12,C13,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C8,C12,C14,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 2 | C8,C13,C14,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C8,C9,C12,C14,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C8,C9,C12,C15,C16,O19 |
| C5O1 | 0.022 | 3 | 2 | C8,C9,C12,C15,C16,O21 |
| C5O1 | 0.022 | 3 | 2 | C9,C12,C13,C15,C16,O18 |
| C5O1 | 0.022 | 3 | 2 | C12,C13,C14,C15,C16,O18 |
| C4O2 | 0.021 | 1 | 0 | C6,C7,C10,C14,O17,O21 |
| C4O2 | 0.021 | 1 | 0 | C6,C13,C14,C15,O18,O21 |
| C4O2 | 0.021 | 1 | 0 | C6,C13,C15,C16,O18,O19 |
| C4O2 | 0.021 | 1 | 0 | C6,C7,C10,C13,O17,O18 |
| C4O2 | 0.021 | 1 | 0 | C6,C10,C13,C15,O17,O18 |
| C4O2 | 0.021 | 1 | 0 | C7,C8,C10,C14,O17,O21 |
| C4O2 | 0.021 | 1 | 0 | C7,C13,C14,C15,O18,O21 |
| C4O2 | 0.021 | 1 | 0 | C7,C14,C15,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 0 | C7,C10,C14,C15,O17,O21 |
| C4O2 | 0.021 | 1 | 0 | C8,C13,C14,C15,O18,O21 |
| C4O2 | 0.021 | 1 | 0 | C8,C14,C15,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 0 | C8,C12,C14,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 0 | C8,C9,C12,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 0 | C8,C12,C15,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 0 | C12,C13,C15,C16,O18,O19 |
| C4O2 | 0.021 | 1 | 1 | C12,C14,C15,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 1 | C13,C14,C15,C16,O19,O21 |
| C4O2 | 0.021 | 1 | 0 | C13,C14,C15,C16,O18,O19 |
| C4O2 | 0.021 | 1 | 0 | C13,C14,C15,C16,O18,O21 |