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Atom-Mass pairs
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Submission id: KO001638
Outputs for Pyridoxine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001638
Synonyms: Pyridoxine, Pyridoxol
Total mass: 169.1774
Formula: H11 C8 O3 N1
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 81.1, 94.5, 95.5, 106.8, 110.0, 121.2, 123.2, 136.3, 149.1, 167.9,
Processing time: 0:00:02.315815
Results for the quried mass "65.3"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C4N1 |
0.227 |
3 |
0 |
C2,C3,C5,C6,N9 |
C4N1 |
0.227 |
3 |
0 |
C2,C4,C6,C7,N9 |
C4N1 |
0.227 |
3 |
0 |
C2,C3,C6,C7,N9 |
C4N1 |
0.227 |
3 |
1 |
C4,C5,C7,C8,N9 |
C4N1 |
0.227 |
3 |
0 |
C1,C2,C5,C6,N9 |
C4N1 |
0.227 |
3 |
0 |
C1,C5,C7,C8,N9 |
C4O1 |
0.250 |
1 |
0 |
C2,C4,C6,C7,O11 |
C4O1 |
0.250 |
1 |
0 |
C2,C6,C7,C8,O12 |
C4O1 |
0.250 |
1 |
0 |
C2,C3,C6,C7,O10 |
C4O1 |
0.250 |
1 |
0 |
C3,C4,C6,C7,O11 |
C4O1 |
0.250 |
1 |
0 |
C3,C6,C7,C8,O12 |
C4O1 |
0.250 |
1 |
0 |
C3,C4,C6,C7,O10 |
C4O1 |
0.250 |
1 |
0 |
C3,C6,C7,C8,O10 |
C4O1 |
0.250 |
1 |
0 |
C4,C5,C7,C8,O12 |
C4O1 |
0.250 |
1 |
0 |
C4,C5,C7,C8,O11 |
C4O1 |
0.250 |
1 |
0 |
C4,C6,C7,C8,O12 |
C4O1 |
0.250 |
1 |
0 |
C4,C6,C7,C8,O11 |
C4O1 |
0.250 |
1 |
0 |
C5,C6,C7,C8,O12 |
C4O1 |
0.250 |
1 |
0 |
C1,C5,C7,C8,O12 |
C5 |
0.207 |
5 |
0 |
C2,C3,C4,C6,C7 |
C5 |
0.207 |
5 |
1 |
C3,C4,C6,C7,C8 |
C3O1N1 |
0.270 |
1 |
0 |
C2,C5,C8,N9,O12 |
C3O1N1 |
0.270 |
1 |
0 |
C2,C3,C6,N9,O10 |
C3O1N1 |
0.270 |
1 |
0 |
C1,C5,C8,N9,O12 |
C3O1N1 |
0.270 |
1 |
0 |
C5,C7,C8,N9,O12 |
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