Processed databases
Atom-Mass pairs
Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000049
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: 83.340561, 89.16925, 111.947456, 123.043846, 131.048553, 135.043747, 140.703461, 149.023239, 152.010193, 153.018021, 163.039108, 167.033829, 169.064331, 170.021317, 185.059921, 192.041519, 199.074875, 211.075348, 214.061539, 215.070374, 226.05896, 230.089478, 239.070389, 243.065475, 252.873764, 253.049515, 253.490326, 254.053329, 257.080658, 269.044525, 269.858154, 270.052185, 270.540833, 271.055115, 286.07901,
Processing time: 0:00:05.691498
Results for the quried mass "91.083954"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1 | 0.003 | 3 | 0 | C2,C7,C8,C9,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 1 | C2,C8,C9,C12,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C2,C9,C12,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C2,C9,C12,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C4,C5,C9,C11,O20 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C5,C8,C9,C12,O21 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C5,C9,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C5,C9,C11,C12,O20 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C8,C9,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 0 | C2,C4,C8,C9,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 0 | C2,C4,C8,C9,C11,C12,O21 |
| C6O1 | 0.003 | 3 | 1 | C2,C4,C9,C11,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C4,C8,C9,C11,C12,O20 |
| C6O1 | 0.003 | 3 | 1 | C2,C4,C9,C11,C12,C16,O20 |
| C6O1 | 0.003 | 3 | 1 | C2,C8,C9,C12,C14,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C2,C8,C9,C12,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C2,C9,C12,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C2,C9,C12,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C4,C8,C9,C12,O21 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C4,C9,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C8,C9,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C4,C9,C11,C12,O20 |
| C6O1 | 0.003 | 3 | 1 | C2,C3,C9,C12,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C3,C8,C9,C12,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C2,C4,C5,C9,C11,C12,O20 |
| C6O1 | 0.003 | 3 | 0 | C2,C4,C8,C9,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C2,C4,C9,C12,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C2,C4,C8,C9,C12,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C2,C8,C9,C12,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C3,C7,C8,C9,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 1 | C3,C8,C9,C12,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C3,C9,C12,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C3,C9,C12,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C3,C5,C8,C9,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 0 | C3,C5,C8,C9,C11,C12,O21 |
| C6O1 | 0.003 | 3 | 1 | C3,C5,C9,C11,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C3,C5,C8,C9,C11,C12,O20 |
| C6O1 | 0.003 | 3 | 1 | C3,C5,C9,C11,C12,C16,O20 |
| C6O1 | 0.003 | 3 | 1 | C3,C8,C9,C12,C14,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C3,C8,C9,C12,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C3,C9,C12,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C3,C9,C12,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C3,C4,C5,C9,C11,C12,O20 |
| C6O1 | 0.003 | 3 | 0 | C3,C5,C8,C9,C12,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C3,C5,C9,C12,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C3,C5,C8,C9,C12,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C3,C8,C9,C12,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C8,C10,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 1 | C6,C8,C12,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C10,C13,C14,C15,O17 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C10,C13,C14,C15,O18 |
| C6O1 | 0.003 | 3 | 1 | C6,C7,C10,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C6,C8,C12,C13,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C8,C10,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C8,C10,C13,C14,O21 |
| C6O1 | 0.003 | 3 | 1 | C6,C7,C10,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C6,C7,C10,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C6,C7,C10,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C10,C14,C15,C16,O17 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C8,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C6,C7,C13,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C6,C8,C12,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 0 | C6,C8,C12,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 1 | C6,C8,C10,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C6,C8,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C6,C9,C12,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C6,C9,C12,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 1 | C6,C10,C12,C13,C15,C16,O17 |
| C6O1 | 0.003 | 3 | 2 | C6,C12,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C10,C13,C15,C16,O17 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C10,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 1 | C6,C7,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 0 | C6,C7,C13,C14,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C6,C10,C12,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C6,C10,C12,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C6,C10,C13,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C6,C10,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C6,C12,C13,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C6,C12,C13,C14,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 1 | C6,C10,C13,C14,C15,C16,O17 |
| C6O1 | 0.003 | 3 | 1 | C6,C10,C13,C14,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C12,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C9,C12,C14,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C9,C10,C12,C14,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C9,C12,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C12,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C10,C12,C14,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C12,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 2 | C7,C9,C12,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C7,C9,C12,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C10,C12,C14,C15,C16,O17 |
| C6O1 | 0.003 | 3 | 1 | C7,C12,C13,C14,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C10,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C10,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C7,C10,C12,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C7,C10,C12,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C7,C10,C13,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C10,C12,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C10,C13,C14,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C7,C12,C13,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C7,C12,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C8,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C7,C10,C13,C14,C15,C16,O17 |
| C6O1 | 0.003 | 3 | 2 | C7,C10,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C8,C9,C12,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C8,C9,C12,C13,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C8,C9,C12,C13,C14,C15,O21 |
| C6O1 | 0.003 | 3 | 2 | C8,C12,C13,C14,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 1 | C8,C12,C13,C14,C15,C16,O18 |
| C6O1 | 0.003 | 3 | 2 | C8,C9,C12,C13,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C8,C9,C12,C13,C15,C16,O21 |
| C6O1 | 0.003 | 3 | 2 | C8,C9,C12,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C8,C12,C13,C14,C15,C16,O19 |
| C6O1 | 0.003 | 3 | 2 | C9,C12,C13,C14,C15,C16,O18 |
| C7 | 0.046 | 7 | 2 | C2,C3,C4,C5,C8,C9,C12 |
| C5O2 | 0.040 | 1 | 0 | C2,C8,C9,C12,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C3,C8,C9,C12,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C7,C8,C10,C14,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C7,C10,C13,C14,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C8,C13,C14,C15,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C10,C13,C14,C15,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C10,C13,C15,C16,O17,O19 |
| C5O2 | 0.040 | 1 | 0 | C6,C13,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C7,C10,C13,C14,O17,O18 |
| C5O2 | 0.040 | 1 | 0 | C6,C7,C10,C13,C14,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C10,C13,C14,C15,O17,O18 |
| C5O2 | 0.040 | 1 | 0 | C6,C10,C13,C15,C16,O17,O18 |
| C5O2 | 0.040 | 1 | 0 | C6,C10,C13,C14,C15,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C6,C10,C13,C15,C16,O18,O19 |
| C5O2 | 0.040 | 1 | 0 | C6,C13,C14,C15,C16,O18,O19 |
| C5O2 | 0.040 | 1 | 0 | C6,C13,C14,C15,C16,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C8,C12,C14,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C8,C10,C12,C14,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C8,C13,C14,C15,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C8,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C10,C13,C14,C15,O17,O18 |
| C5O2 | 0.040 | 1 | 0 | C7,C10,C14,C15,C16,O17,O19 |
| C5O2 | 0.040 | 1 | 0 | C7,C13,C14,C15,C16,O18,O19 |
| C5O2 | 0.040 | 1 | 0 | C7,C8,C10,C14,C15,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C10,C13,C14,C15,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C10,C14,C15,C16,O17,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C10,C13,C14,C15,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C10,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C13,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C7,C13,C14,C15,C16,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C12,C13,C14,C15,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C12,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C12,C13,C15,C16,O18,O19 |
| C5O2 | 0.040 | 1 | 0 | C8,C12,C13,C15,C16,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C13,C14,C15,C16,O18,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C13,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C9,C12,C14,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C12,C13,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C9,C12,C13,C15,C16,O18,O19 |
| C5O2 | 0.040 | 1 | 1 | C9,C12,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C8,C9,C12,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C12,C13,C14,C15,C16,O18,O21 |
| C5O2 | 0.040 | 1 | 1 | C12,C13,C14,C15,C16,O19,O21 |
| C5O2 | 0.040 | 1 | 0 | C12,C13,C14,C15,C16,O18,O19 |