Processed databases
Atom-Mass pairs
Outputs for Neostigmine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003619
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: 56.0, 88.0, 89.0, 90.7, 91.8, 95.0, 99.0, 105.0, 108.2, 110.3, 115.9, 116.9, 118.0, 119.0, 120.8, 123.2, 133.0, 135.2, 136.1, 137.8, 138.6, 146.4, 150.1, 151.3, 152.8, 164.3, 165.3, 179.1, 180.0, 193.3, 208.2,
Processing time: 0:00:03.599616
Results for the quried mass "66.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O2 | 0.223 | 1 | 0 | C8,C11,C12,O15,O16 |
| C3O2 | 0.223 | 1 | 0 | C9,C11,C12,O15,O16 |
| C4O1 | 0.266 | 3 | 1 | C6,C8,C11,C12,O16 |
| C4O1 | 0.266 | 3 | 0 | C6,C7,C8,C11,O16 |
| C4O1 | 0.266 | 3 | 0 | C6,C8,C9,C11,O16 |
| C4O1 | 0.266 | 3 | 1 | C7,C9,C10,C11,O16 |
| C4O1 | 0.266 | 3 | 1 | C8,C9,C10,C11,O16 |
| C4O1 | 0.266 | 3 | 1 | C8,C9,C11,C12,O16 |
| C4O1 | 0.266 | 3 | 2 | C9,C10,C11,C12,O16 |
| C4N1 | 0.289 | 5 | 2 | C6,C7,C9,C10,N14 |
| C4N1 | 0.289 | 5 | 2 | C6,C7,C8,C10,N14 |
| C3O1N1 | 0.246 | 1 | 0 | C8,C11,C12,N13,O16 |
| C3O1N1 | 0.246 | 1 | 0 | C9,C11,C12,N13,O16 |
| C3O1N1 | 0.246 | 1 | 0 | C9,C10,C11,N14,O16 |
| C3O1N1 | 0.246 | 1 | 0 | C1,C2,C12,N13,O15 |
| C3O1N1 | 0.246 | 1 | 0 | C1,C2,C12,N13,O16 |