Processed databases
Atom-Mass pairs
Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000048
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: 96.019882, 119.658684, 122.714119, 123.043884, 133.064285, 149.0233, 151.039719, 151.805481, 152.010239, 165.018616, 167.242722, 168.579346, 185.059738, 192.041611, 199.075104, 214.840103, 215.070175, 220.565308, 226.062103, 229.085968, 243.066559, 252.608414, 252.873901, 253.049622, 257.080719, 269.044617, 269.861603, 270.052338, 270.541473, 271.05481, 284.869781, 285.075684, 286.078949,
Processing time: 0:00:06.130755
Results for the quried mass "159.043427"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10O2 | 0.118 | 7 | 0 | C1,C2,C3,C4,C5,C8,C9,C11,C12,C16,O19,O20 |
| C10O2 | 0.118 | 7 | 0 | C1,C2,C3,C4,C5,C9,C11,C12,C15,C16,O19,O20 |
| C10O2 | 0.118 | 7 | 0 | C1,C2,C3,C4,C5,C8,C9,C11,C12,C14,O20,O21 |
| C8O4 | 0.032 | 1 | 0 | C6,C7,C8,C10,C13,C14,C15,C16,O17,O18,O19,O21 |