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Atom-Mass pairs
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Submission id: KO003617
Outputs for Neostigmine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003617
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: 2.0158
Out of range queried mass peaks: 241.0,
Replicated queried mass peaks: 87.8, 88.9, 90.9, 117.1, 119.3, 134.9, 147.3, 163.3, 170.7, 181.4, 188.4, 206.2,
Processing time: 0:00:03.018593
Results for the quried mass "90.2"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C4O1N2 |
0.160 |
2 |
1 |
C9,C10,C11,C12,N13,N14,O16 |
C6O1 |
0.121 |
2 |
0 |
C6,C7,C9,C10,C11,C12,O16 |
C6O1 |
0.121 |
2 |
0 |
C6,C7,C8,C9,C10,C11,O16 |
C6O1 |
0.121 |
2 |
0 |
C6,C7,C8,C10,C11,C12,O16 |
C6O1 |
0.121 |
2 |
0 |
C6,C8,C9,C10,C11,C12,O16 |
C6O1 |
0.121 |
2 |
0 |
C6,C7,C8,C9,C11,C12,O16 |
C6O1 |
0.121 |
2 |
0 |
C7,C8,C9,C10,C11,C12,O16 |
C6N1 |
0.098 |
4 |
0 |
C6,C7,C8,C9,C10,C11,N14 |
C5O1N1 |
0.140 |
0 |
0 |
C6,C7,C8,C11,C12,N13,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C6,C7,C9,C10,C11,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C6,C7,C8,C10,C11,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C6,C8,C9,C10,C11,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C6,C8,C9,C11,C12,N13,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C7,C9,C10,C11,C12,N13,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C7,C9,C10,C11,C12,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C8,C9,C10,C11,C12,N13,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C8,C9,C10,C11,C12,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C3,C4,C9,C10,C11,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C3,C5,C9,C10,C11,N14,O16 |
C5O1N1 |
0.140 |
0 |
0 |
C4,C5,C9,C10,C11,N14,O16 |
C5O2 |
0.164 |
2 |
0 |
C6,C7,C8,C11,C12,O15,O16 |
C5O2 |
0.164 |
2 |
0 |
C6,C8,C9,C11,C12,O15,O16 |
C5O2 |
0.164 |
2 |
0 |
C7,C9,C10,C11,C12,O15,O16 |
C5O2 |
0.164 |
2 |
0 |
C8,C9,C10,C11,C12,O15,O16 |
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