Processed databases
Atom-Mass pairs
Outputs for Neostigmine; LC-ESI-IT; MS3; m/z: 223/208; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009127
Synonyms: Neostigmine, Neostigmine bromide, Neo proserine
Total mass: 223.2907
Formula: H19 C12 O2 N2
Experimental information
MS type: MS3
Instrument: LC/MSD Trap XCT, Agilent Technologies
Instrument type: LC-ESI-IT
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 261.2,
Replicated queried mass peaks: 71.4, 72.1, 85.2, 91.0, 108.1, 113.0, 120.1, 121.1, 135.1, 136.0, 137.9, 149.1, 151.1, 163.1, 164.1, 166.2, 191.1, 208.1, 209.1,
Processing time: 0:00:02.246276
Results for the quried mass "109.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.002 | 5 | 2 | C6,C7,C9,C10,C11,C12,O15,O16 |
| C6O2 | 0.002 | 5 | 2 | C6,C7,C8,C10,C11,C12,O15,O16 |
| C6O2 | 0.002 | 5 | 2 | C6,C8,C9,C10,C11,C12,O15,O16 |
| C6O2 | 0.002 | 5 | 1 | C6,C7,C8,C9,C11,C12,O15,O16 |
| C6O2 | 0.002 | 5 | 2 | C7,C8,C9,C10,C11,C12,O15,O16 |
| C5O2N1 | 0.017 | 3 | 0 | C1,C2,C8,C11,C12,N13,O15,O16 |
| C5O2N1 | 0.017 | 3 | 0 | C1,C2,C9,C11,C12,N13,O15,O16 |
| C7N1 | 0.069 | 11 | 0 | C3,C4,C5,C6,C7,C9,C10,N14 |
| C7N1 | 0.069 | 11 | 0 | C3,C4,C5,C6,C7,C8,C10,N14 |
| C8N1 | 0.016 | 1 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,N14 |
| C4O2N2 | 0.037 | 1 | 0 | C9,C10,C11,C12,N13,N14,O15,O16 |
| C5O1N2 | 0.006 | 5 | 1 | C1,C9,C10,C11,C12,N13,N14,O16 |
| C5O1N2 | 0.006 | 5 | 1 | C2,C9,C10,C11,C12,N13,N14,O16 |