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Atom-Mass pairs
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Submission id: KO003754
Outputs for Pyridoxine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003754
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: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 78.8, 81.0, 83.2, 83.4, 93.1, 95.3, 97.0, 106.8, 109.9, 111.0, 124.2, 135.1, 151.2, 152.3,
Processing time: 0:00:02.230885
Results for the quried mass "77.4"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C4O1N1 |
0.359 |
1 |
0 |
C1,C2,C5,C8,N9,O12 |
C5N1 |
0.316 |
3 |
0 |
C2,C4,C5,C7,C8,N9 |
C5N1 |
0.316 |
3 |
0 |
C2,C3,C5,C6,C8,N9 |
C5N1 |
0.316 |
3 |
0 |
C2,C4,C5,C6,C7,N9 |
C5N1 |
0.316 |
3 |
0 |
C2,C3,C5,C6,C7,N9 |
C5N1 |
0.316 |
3 |
0 |
C2,C3,C4,C6,C7,N9 |
C5N1 |
0.316 |
3 |
0 |
C2,C3,C6,C7,C8,N9 |
C5N1 |
0.316 |
3 |
1 |
C3,C5,C6,C7,C8,N9 |
C5N1 |
0.316 |
3 |
0 |
C2,C4,C6,C7,C8,N9 |
C5N1 |
0.316 |
3 |
1 |
C4,C5,C6,C7,C8,N9 |
C5N1 |
0.316 |
3 |
0 |
C1,C2,C5,C6,C7,N9 |
C5N1 |
0.316 |
3 |
0 |
C1,C2,C5,C6,C8,N9 |
C5N1 |
0.316 |
3 |
0 |
C1,C5,C6,C7,C8,N9 |
C5O1 |
0.339 |
1 |
0 |
C2,C3,C4,C6,C7,O11 |
C5O1 |
0.339 |
1 |
0 |
C2,C3,C6,C7,C8,O12 |
C5O1 |
0.339 |
1 |
0 |
C2,C3,C4,C6,C7,O10 |
C5O1 |
0.339 |
1 |
0 |
C2,C3,C6,C7,C8,O10 |
C5O1 |
0.339 |
1 |
0 |
C2,C4,C6,C7,C8,O12 |
C5O1 |
0.339 |
1 |
0 |
C2,C4,C6,C7,C8,O11 |
C5O1 |
0.339 |
1 |
0 |
C2,C5,C6,C7,C8,O12 |
C5O1 |
0.339 |
1 |
0 |
C3,C4,C6,C7,C8,O12 |
C5O1 |
0.339 |
1 |
0 |
C3,C4,C6,C7,C8,O11 |
C5O1 |
0.339 |
1 |
0 |
C3,C5,C6,C7,C8,O12 |
C5O1 |
0.339 |
1 |
0 |
C3,C5,C6,C7,C8,O10 |
C5O1 |
0.339 |
1 |
0 |
C3,C4,C6,C7,C8,O10 |
C5O1 |
0.339 |
1 |
0 |
C4,C5,C6,C7,C8,O11 |
C5O1 |
0.339 |
1 |
0 |
C1,C4,C5,C7,C8,O11 |
C5O1 |
0.339 |
1 |
0 |
C1,C5,C6,C7,C8,O12 |
C6 |
0.296 |
5 |
1 |
C3,C4,C5,C6,C7,C8 |
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