Processed databases
Atom-Mass pairs
Outputs for Neostigmine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003618
Synonyms: Neostigmine, Neostigmine bromide, Neo proserine
Total mass: 223.2907
Formula: H19 C12 O2 N2
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 88.1, 88.7, 98.9, 102.3, 106.1, 117.0, 118.1, 120.8, 124.8, 128.3, 131.2, 135.0, 136.0, 147.3, 150.0, 151.1, 163.3, 164.7, 166.1, 178.4, 188.2, 207.1, 223.3,
Processing time: 0:00:03.247994
Results for the quried mass "80.7"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.373 | 3 | 1 | C6,C8,C11,C12,N13,O16 |
| C4O1N1 | 0.373 | 3 | 1 | C7,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.373 | 3 | 1 | C8,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.373 | 3 | 1 | C8,C9,C11,C12,N13,O16 |
| C4O1N1 | 0.373 | 3 | 2 | C9,C10,C11,C12,N13,O16 |
| C4O1N1 | 0.373 | 3 | 2 | C9,C10,C11,C12,N14,O16 |
| C4O1N1 | 0.373 | 3 | 0 | C3,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.373 | 3 | 0 | C4,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.373 | 3 | 0 | C5,C9,C10,C11,N14,O16 |
| C3O2N1 | 0.330 | 1 | 0 | C8,C11,C12,N13,O15,O16 |
| C3O2N1 | 0.330 | 1 | 0 | C9,C11,C12,N13,O15,O16 |
| C3O2N1 | 0.330 | 1 | 0 | C1,C2,C12,N13,O15,O16 |
| C5O1 | 0.392 | 5 | 2 | C6,C7,C9,C10,C11,O16 |
| C5O1 | 0.392 | 5 | 2 | C6,C7,C8,C11,C12,O16 |
| C5O1 | 0.392 | 5 | 2 | C6,C7,C8,C10,C11,O16 |
| C5O1 | 0.392 | 5 | 2 | C6,C8,C9,C10,C11,O16 |
| C5O1 | 0.392 | 5 | 2 | C6,C8,C9,C11,C12,O16 |
| C5O1 | 0.392 | 5 | 1 | C6,C7,C8,C9,C11,O16 |
| C5O1 | 0.392 | 5 | 2 | C7,C8,C9,C10,C11,O16 |
| C4O2 | 0.349 | 1 | 0 | C6,C8,C11,C12,O15,O16 |
| C4O2 | 0.349 | 1 | 0 | C8,C9,C11,C12,O15,O16 |
| C4O2 | 0.349 | 1 | 0 | C9,C10,C11,C12,O15,O16 |