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 "75.167694"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.123 | 1 | 0 | C2,C8,C9,C12,C14,O21 |
| C5O1 | 0.123 | 1 | 0 | C2,C3,C5,C9,C11,O20 |
| C5O1 | 0.123 | 1 | 0 | C2,C3,C4,C5,C11,O20 |
| C5O1 | 0.123 | 1 | 0 | C2,C3,C4,C9,C11,O20 |
| C5O1 | 0.123 | 1 | 0 | C2,C3,C8,C9,C12,O21 |
| C5O1 | 0.123 | 1 | 0 | C2,C3,C9,C12,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C2,C4,C8,C9,C12,O21 |
| C5O1 | 0.123 | 1 | 0 | C2,C4,C9,C12,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C2,C4,C9,C11,C12,O20 |
| C5O1 | 0.123 | 1 | 0 | C2,C8,C9,C12,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C2,C8,C9,C12,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C2,C9,C12,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C2,C4,C5,C9,C11,O20 |
| C5O1 | 0.123 | 1 | 0 | C3,C8,C9,C12,C14,O21 |
| C5O1 | 0.123 | 1 | 0 | C3,C5,C8,C9,C12,O21 |
| C5O1 | 0.123 | 1 | 0 | C3,C5,C9,C12,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C3,C5,C9,C11,C12,O20 |
| C5O1 | 0.123 | 1 | 0 | C3,C8,C9,C12,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C3,C8,C9,C12,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C3,C9,C12,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C3,C4,C5,C9,C11,O20 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C8,C10,C14,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C8,C13,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C13,C14,O18 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C14,C15,O17 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C13,C14,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C13,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C13,C14,C15,O18 |
| C5O1 | 0.123 | 1 | 0 | C6,C10,C13,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C10,C13,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C6,C10,C13,C14,C15,O17 |
| C5O1 | 0.123 | 1 | 0 | C6,C10,C13,C15,C16,O17 |
| C5O1 | 0.123 | 1 | 0 | C6,C12,C13,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C6,C12,C13,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 0 | C6,C13,C14,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C6,C13,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C13,C14,O17 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C13,C15,O17 |
| C5O1 | 0.123 | 1 | 0 | C6,C7,C10,C13,C15,O18 |
| C5O1 | 0.123 | 1 | 0 | C6,C10,C13,C14,C15,O18 |
| C5O1 | 0.123 | 1 | 0 | C6,C10,C13,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 0 | C6,C13,C14,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C9,C12,C14,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C12,C14,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C10,C12,C14,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C12,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C13,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C10,C13,C14,C15,O18 |
| C5O1 | 0.123 | 1 | 0 | C7,C10,C14,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C7,C10,C13,C14,C15,O17 |
| C5O1 | 0.123 | 1 | 0 | C7,C10,C14,C15,C16,O17 |
| C5O1 | 0.123 | 1 | 0 | C7,C12,C14,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C7,C12,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C13,C14,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C7,C13,C14,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 0 | C7,C8,C10,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C10,C13,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C10,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C7,C13,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C12,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C12,C13,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 0 | C8,C9,C12,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C12,C13,C14,C15,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C12,C13,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C8,C12,C13,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C12,C14,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C8,C13,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C9,C12,C14,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C8,C9,C12,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 0 | C8,C9,C12,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C9,C12,C13,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 1 | C9,C12,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 1 | C9,C12,C13,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 1 | C9,C12,C14,C15,C16,O19 |
| C5O1 | 0.123 | 1 | 1 | C12,C13,C14,C15,C16,O21 |
| C5O1 | 0.123 | 1 | 0 | C12,C13,C14,C15,C16,O18 |
| C5O1 | 0.123 | 1 | 1 | C12,C13,C14,C15,C16,O19 |
| C6 | 0.080 | 3 | 0 | C2,C3,C4,C5,C9,C11 |
| C6 | 0.080 | 3 | 0 | C2,C3,C5,C8,C9,C12 |
| C6 | 0.080 | 3 | 0 | C2,C3,C5,C9,C12,C16 |
| C6 | 0.080 | 3 | 0 | C2,C3,C5,C9,C11,C12 |
| C6 | 0.080 | 3 | 1 | C2,C3,C9,C12,C15,C16 |
| C6 | 0.080 | 3 | 1 | C2,C4,C9,C12,C15,C16 |
| C6 | 0.080 | 3 | 0 | C2,C4,C5,C9,C11,C12 |
| C6 | 0.080 | 3 | 0 | C2,C4,C8,C9,C11,C12 |
| C6 | 0.080 | 3 | 1 | C2,C4,C9,C11,C12,C16 |
| C6 | 0.080 | 3 | 1 | C2,C8,C9,C12,C15,C16 |
| C6 | 0.080 | 3 | 0 | C2,C3,C4,C5,C9,C12 |
| C6 | 0.080 | 3 | 0 | C2,C3,C4,C8,C9,C12 |
| C6 | 0.080 | 3 | 0 | C2,C3,C4,C9,C12,C16 |
| C6 | 0.080 | 3 | 0 | C2,C3,C4,C9,C11,C12 |
| C6 | 0.080 | 3 | 0 | C2,C3,C8,C9,C12,C16 |
| C6 | 0.080 | 3 | 0 | C2,C4,C8,C9,C12,C16 |
| C6 | 0.080 | 3 | 0 | C3,C4,C5,C9,C11,C12 |
| C6 | 0.080 | 3 | 1 | C3,C5,C9,C12,C15,C16 |
| C6 | 0.080 | 3 | 0 | C3,C5,C8,C9,C11,C12 |
| C6 | 0.080 | 3 | 1 | C3,C5,C9,C11,C12,C16 |
| C6 | 0.080 | 3 | 1 | C3,C8,C9,C12,C15,C16 |
| C6 | 0.080 | 3 | 0 | C3,C5,C8,C9,C12,C16 |
| C6 | 0.080 | 3 | 1 | C6,C8,C12,C13,C15,C16 |
| C6 | 0.080 | 3 | 1 | C6,C7,C10,C13,C14,C15 |
| C6 | 0.080 | 3 | 1 | C6,C7,C10,C14,C15,C16 |
| C6 | 0.080 | 3 | 1 | C6,C7,C10,C13,C15,C16 |
| C6 | 0.080 | 3 | 1 | C6,C7,C13,C14,C15,C16 |
| C6 | 0.080 | 3 | 1 | C7,C8,C12,C14,C15,C16 |