Processed databases
Atom-Mass pairs
Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000046
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: 124.015373, 124.488213, 133.064774, 149.023346, 153.018127, 180.145142, 180.583603, 188.450394, 197.060074, 201.054886, 243.065231, 252.607941, 253.049896, 253.224182, 257.081177, 269.045013, 269.858002, 270.052826, 271.057159, 285.075836, 285.603699, 286.078857,
Processing time: 0:00:06.280765
Results for the quried mass "173.060394"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10O3 | 0.084 | 5 | 0 | C1,C2,C3,C4,C5,C8,C9,C11,C12,C16,O19,O20,O21 |
| C11O2 | 0.127 | 9 | 1 | C1,C2,C3,C4,C5,C8,C9,C11,C12,C15,C16,O19,O20 |
| C11O2 | 0.127 | 9 | 0 | C1,C2,C3,C4,C5,C7,C8,C9,C11,C12,C14,O20,O21 |