Processed databases
Atom-Mass pairs
Outputs for Neostigmine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003621
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: 44.1, 57.1, 58.2, 60.0, 66.8, 68.1, 69.7, 72.1, 77.3, 77.9, 79.8, 81.0, 90.1, 92.0, 94.2, 107.0, 108.2, 110.4, 118.0, 120.1, 122.2, 123.0, 135.2, 137.1, 148.4, 149.1, 151.4, 152.1, 163.2, 208.2,
Processing time: 0:00:03.381404
Results for the quried mass "101.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7N1 | 0.005 | 3 | 0 | C3,C4,C5,C6,C7,C9,C10,N14 |
| C7N1 | 0.005 | 3 | 0 | C3,C4,C5,C6,C7,C8,C10,N14 |
| C7O1 | 0.018 | 1 | 0 | C6,C7,C8,C9,C10,C11,C12,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C7,C9,C10,C11,C12,N13,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C7,C9,C10,C11,C12,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C7,C8,C9,C10,C11,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C7,C8,C10,C11,C12,N13,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C7,C8,C10,C11,C12,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C8,C9,C10,C11,C12,N13,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C8,C9,C10,C11,C12,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C6,C7,C8,C9,C11,C12,N13,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C7,C8,C9,C10,C11,C12,N13,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C7,C8,C9,C10,C11,C12,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C3,C6,C7,C8,C10,C11,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C4,C6,C7,C8,C10,C11,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C5,C6,C7,C8,C10,C11,N14,O16 |
| C6O1N1 | 0.038 | 1 | 0 | C3,C4,C5,C9,C10,C11,N14,O16 |
| C4O2N1 | 0.004 | 7 | 1 | C1,C2,C11,C12,N13,O15,O16 |