Processed databases
Atom-Mass pairs
Outputs for Neostigmine; LC-ESI-IT; MS2; m/z: 223; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009126
Synonyms: Neostigmine, Neostigmine bromide, Neo proserine
Total mass: 223.2907
Formula: H19 C12 O2 N2
Experimental information
MS type: MS2
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: 229.0,
Replicated queried mass peaks: 73.4, 94.0, 107.1, 117.1, 119.1, 121.0, 123.1, 135.1, 136.0, 138.2, 150.1, 152.1, 163.1, 165.2, 166.1, 178.1, 180.2, 181.1, 192.9, 196.1, 207.1, 209.0,
Processing time: 0:00:03.167745
Results for the quried mass "79.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.043 | 1 | 0 | C6,C8,C11,C12,N13,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C7,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C8,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C8,C9,C11,C12,N13,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C9,C10,C11,C12,N13,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C9,C10,C11,C12,N14,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C3,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C4,C9,C10,C11,N14,O16 |
| C4O1N1 | 0.043 | 1 | 0 | C5,C9,C10,C11,N14,O16 |
| C5N1 | 0.000 | 5 | 1 | C6,C7,C8,C9,C10,N14 |
| C5O1 | 0.023 | 3 | 0 | C6,C7,C9,C10,C11,O16 |
| C5O1 | 0.023 | 3 | 0 | C6,C7,C8,C11,C12,O16 |
| C5O1 | 0.023 | 3 | 0 | C6,C7,C8,C10,C11,O16 |
| C5O1 | 0.023 | 3 | 0 | C6,C8,C9,C10,C11,O16 |
| C5O1 | 0.023 | 3 | 0 | C6,C8,C9,C11,C12,O16 |
| C5O1 | 0.023 | 3 | 1 | C7,C9,C10,C11,C12,O16 |
| C5O1 | 0.023 | 3 | 0 | C6,C7,C8,C9,C11,O16 |
| C5O1 | 0.023 | 3 | 0 | C7,C8,C9,C10,C11,O16 |
| C5O1 | 0.023 | 3 | 1 | C8,C9,C10,C11,C12,O16 |
| C4O2 | 0.066 | 1 | 0 | C6,C8,C11,C12,O15,O16 |
| C4O2 | 0.066 | 1 | 0 | C8,C9,C11,C12,O15,O16 |
| C4O2 | 0.066 | 1 | 0 | C9,C10,C11,C12,O15,O16 |