Processed databases
Atom-Mass pairs
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: 2.0158Out 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 "91.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1 | 0.213 | 3 | 0 | C1,C2,C4,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C1,C2,C3,C4,C6,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C1,C3,C4,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C1,C3,C5,C6,C8,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C1,C2,C3,C5,C6,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C1,C2,C3,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C1,C3,C5,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C2,C3,C4,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C2,C4,C5,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C3,C5,C6,C8,C9,C10,O14 |
| C6O1 | 0.213 | 3 | 0 | C3,C5,C6,C8,C9,C10,O15 |
| C6O1 | 0.213 | 3 | 0 | C3,C5,C6,C8,C9,C10,O13 |
| C6O1 | 0.213 | 3 | 0 | C3,C4,C5,C6,C7,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C3,C5,C6,C7,C8,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C4,C5,C6,C7,C8,C9,O13 |
| C6O1 | 0.213 | 3 | 0 | C5,C6,C7,C8,C9,C10,O14 |
| C6O1 | 0.213 | 3 | 0 | C5,C6,C7,C8,C9,C10,O15 |
| C6O1 | 0.213 | 3 | 0 | C5,C6,C7,C8,C9,C10,O13 |
| C5O2 | 0.256 | 1 | 0 | C5,C6,C8,C9,C10,O14,O15 |
| C5O2 | 0.256 | 1 | 0 | C5,C6,C8,C9,C10,O13,O14 |
| C5O2 | 0.256 | 1 | 0 | C5,C6,C8,C9,C10,O13,O15 |
| C6N1 | 0.190 | 5 | 0 | C1,C3,C5,C6,C8,C9,N12 |
| C6N1 | 0.190 | 5 | 0 | C1,C2,C3,C4,C6,C7,N11 |
| C6N1 | 0.190 | 5 | 0 | C1,C2,C4,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C1,C3,C5,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C1,C2,C3,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C1,C3,C4,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C2,C4,C5,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C2,C3,C4,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C3,C5,C6,C7,C8,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C3,C5,C6,C8,C9,C10,N12 |
| C6N1 | 0.190 | 5 | 0 | C3,C5,C6,C7,C8,C9,N12 |
| C6N1 | 0.190 | 5 | 0 | C3,C4,C5,C6,C7,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C4,C5,C6,C7,C8,C9,N12 |
| C6N1 | 0.190 | 5 | 0 | C4,C5,C6,C7,C8,C9,N11 |
| C6N1 | 0.190 | 5 | 0 | C5,C6,C7,C8,C9,C10,N11 |
| C6N1 | 0.190 | 5 | 0 | C5,C6,C7,C8,C9,C10,N12 |
| C5N2 | 0.209 | 3 | 0 | C5,C6,C7,C8,C9,N11,N12 |
| C7 | 0.170 | 7 | 1 | C1,C2,C3,C5,C6,C8,C9 |
| C7 | 0.170 | 7 | 1 | C1,C2,C3,C4,C5,C6,C9 |
| C5O1N1 | 0.233 | 1 | 0 | C1,C3,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C2,C4,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C3,C5,C6,C8,C9,N12,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C3,C4,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C3,C5,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C4,C5,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C5,C6,C7,C8,C9,N11,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C5,C6,C7,C8,C9,N12,O13 |
| C5O1N1 | 0.233 | 1 | 0 | C5,C6,C8,C9,C10,N12,O14 |
| C5O1N1 | 0.233 | 1 | 0 | C5,C6,C8,C9,C10,N12,O15 |
| C5O1N1 | 0.233 | 1 | 0 | C5,C6,C8,C9,C10,N12,O13 |