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Atom-Mass pairs
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Submission id: KO003271
Outputs for Kynurenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003271
Synonyms: Kynurenine, 3-Anthraniloyl-L-alanine, L-Kynurenine
Total mass: 208.2134
Formula: H12 C10 O3 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:
Replicated queried mass peaks: 71.0, 72.4, 84.2, 91.9, 101.0, 118.0,
Processing time: 0:00:02.351232
Results for the quried mass "104.1"
Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
C6O2 |
0.037 |
0 |
0 |
C3,C5,C6,C8,C9,C10,O14,O15 |
C6O2 |
0.037 |
0 |
0 |
C3,C5,C6,C8,C9,C10,O13,O14 |
C6O2 |
0.037 |
0 |
0 |
C3,C5,C6,C8,C9,C10,O13,O15 |
C6O2 |
0.037 |
0 |
0 |
C5,C6,C7,C8,C9,C10,O13,O14 |
C6O2 |
0.037 |
0 |
0 |
C5,C6,C7,C8,C9,C10,O13,O15 |
C6O2 |
0.037 |
0 |
0 |
C5,C6,C7,C8,C9,C10,O14,O15 |
C5O2N1 |
0.057 |
2 |
0 |
C5,C6,C8,C9,C10,N12,O13,O14 |
C5O2N1 |
0.057 |
2 |
0 |
C5,C6,C8,C9,C10,N12,O13,O15 |
C6O1N1 |
0.014 |
2 |
0 |
C1,C2,C4,C6,C7,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C1,C3,C5,C6,C8,C9,N12,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C1,C2,C3,C6,C7,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C1,C3,C4,C6,C7,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C1,C3,C5,C6,C7,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C2,C3,C4,C6,C7,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C3,C5,C6,C8,C9,C10,N12,O14 |
C6O1N1 |
0.014 |
2 |
0 |
C3,C5,C6,C8,C9,C10,N12,O15 |
C6O1N1 |
0.014 |
2 |
0 |
C3,C5,C6,C7,C8,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C3,C5,C6,C7,C8,C9,N12,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C4,C5,C6,C7,C8,C9,N12,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C4,C5,C6,C7,C8,C9,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C5,C6,C7,C8,C9,C10,N11,O14 |
C6O1N1 |
0.014 |
2 |
0 |
C5,C6,C7,C8,C9,C10,N11,O15 |
C6O1N1 |
0.014 |
2 |
0 |
C5,C6,C7,C8,C9,C10,N12,O14 |
C6O1N1 |
0.014 |
2 |
0 |
C5,C6,C7,C8,C9,C10,N12,O15 |
C6O1N1 |
0.014 |
2 |
0 |
C5,C6,C7,C8,C9,C10,N11,O13 |
C6O1N1 |
0.014 |
2 |
0 |
C5,C6,C7,C8,C9,C10,N12,O13 |
C7N1 |
0.029 |
6 |
0 |
C1,C2,C3,C5,C6,C8,C9,N12 |
C7N1 |
0.029 |
6 |
0 |
C1,C2,C4,C5,C6,C7,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C1,C2,C3,C4,C6,C7,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C1,C3,C5,C6,C7,C8,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C1,C3,C5,C6,C8,C9,C10,N12 |
C7N1 |
0.029 |
6 |
0 |
C1,C3,C5,C6,C7,C8,C9,N12 |
C7N1 |
0.029 |
6 |
0 |
C1,C2,C3,C5,C6,C7,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C1,C3,C4,C5,C6,C7,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C2,C4,C5,C6,C7,C8,C9,N12 |
C7N1 |
0.029 |
6 |
0 |
C2,C4,C5,C6,C7,C8,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C2,C3,C4,C5,C6,C7,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C3,C4,C5,C6,C7,C8,C9,N12 |
C7N1 |
0.029 |
6 |
0 |
C3,C5,C6,C7,C8,C9,C10,N11 |
C7N1 |
0.029 |
6 |
0 |
C3,C4,C5,C6,C7,C8,C9,N11 |
C7N1 |
0.029 |
6 |
0 |
C4,C5,C6,C7,C8,C9,C10,N12 |
C7N1 |
0.029 |
6 |
0 |
C4,C5,C6,C7,C8,C9,C10,N11 |
C7O1 |
0.006 |
4 |
0 |
C1,C3,C5,C6,C8,C9,C10,O14 |
C7O1 |
0.006 |
4 |
0 |
C1,C3,C5,C6,C8,C9,C10,O15 |
C7O1 |
0.006 |
4 |
0 |
C1,C2,C3,C4,C6,C7,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C1,C2,C4,C5,C6,C7,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C1,C3,C5,C6,C8,C9,C10,O13 |
C7O1 |
0.006 |
4 |
0 |
C1,C2,C3,C5,C6,C8,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C1,C2,C3,C4,C5,C6,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C1,C3,C4,C5,C6,C7,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C1,C3,C5,C6,C7,C8,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C2,C4,C5,C6,C7,C8,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C3,C5,C6,C7,C8,C9,C10,O14 |
C7O1 |
0.006 |
4 |
0 |
C3,C5,C6,C7,C8,C9,C10,O15 |
C7O1 |
0.006 |
4 |
0 |
C3,C4,C5,C6,C7,C8,C9,O13 |
C7O1 |
0.006 |
4 |
0 |
C3,C5,C6,C7,C8,C9,C10,O13 |
C7O1 |
0.006 |
4 |
0 |
C4,C5,C6,C7,C8,C9,C10,O14 |
C7O1 |
0.006 |
4 |
0 |
C4,C5,C6,C7,C8,C9,C10,O15 |
C7O1 |
0.006 |
4 |
0 |
C4,C5,C6,C7,C8,C9,C10,O13 |
C6N2 |
0.009 |
4 |
0 |
C3,C5,C6,C7,C8,C9,N11,N12 |
C6N2 |
0.009 |
4 |
0 |
C4,C5,C6,C7,C8,C9,N11,N12 |
C6N2 |
0.009 |
4 |
0 |
C5,C6,C7,C8,C9,C10,N11,N12 |
C8 |
0.049 |
8 |
2 |
C1,C2,C4,C5,C6,C7,C8,C9 |
C8 |
0.049 |
8 |
2 |
C1,C2,C3,C5,C6,C8,C9,C10 |
C8 |
0.049 |
8 |
2 |
C1,C2,C3,C4,C5,C6,C7,C9 |
C8 |
0.049 |
8 |
1 |
C1,C2,C3,C4,C5,C6,C8,C9 |
C8 |
0.049 |
8 |
2 |
C1,C3,C4,C5,C6,C7,C8,C9 |
C8 |
0.049 |
8 |
2 |
C1,C2,C3,C5,C6,C7,C8,C9 |
C8 |
0.049 |
8 |
2 |
C2,C3,C4,C5,C6,C7,C8,C9 |
C5O1N2 |
0.034 |
0 |
0 |
C5,C6,C7,C8,C9,N11,N12,O13 |
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