Processed databases
Atom-Mass pairs
Outputs for Kynurenine; LC-ESI-IT; MS2; m/z: 209; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009016
Synonyms: Kynurenine, 3-Anthraniloyl-L-alanine, L-Kynurenine
Total mass: 208.2134
Formula: H12 C10 O3 N2
Experimental information
MS type: MS2
Instrument: LC/MSD Trap XCT, Agilent Technologies
Instrument type: LC-ESI-IT
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 228.7,
Replicated queried mass peaks: 95.1, 96.1, 99.1, 116.0, 118.0, 122.0, 136.1, 147.1, 150.9, 151.7, 161.9, 164.0, 167.1, 174.0, 181.2, 189.1, 191.1, 192.0, 194.3, 196.5, 209.9,
Processing time: 0:00:03.355815
Results for the quried mass "77.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.159 | 1 | 0 | C3,C6,C7,C9,N11,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C4,C6,C7,C9,N11,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C5,C6,C7,C9,N11,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C5,C6,C8,C9,N12,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C5,C8,C9,C10,N12,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C5,C8,C9,C10,N12,O14 |
| C4O1N1 | 0.159 | 1 | 0 | C5,C8,C9,C10,N12,O15 |
| C5N1 | 0.116 | 3 | 0 | C1,C2,C3,C6,C7,N11 |
| C5N1 | 0.116 | 3 | 0 | C1,C2,C4,C6,C7,N11 |
| C5N1 | 0.116 | 3 | 0 | C1,C2,C3,C4,C7,N11 |
| C5N1 | 0.116 | 3 | 0 | C1,C3,C4,C6,C7,N11 |
| C5N1 | 0.116 | 3 | 0 | C1,C3,C6,C7,C9,N11 |
| C5N1 | 0.116 | 3 | 0 | C2,C3,C4,C6,C7,N11 |
| C5N1 | 0.116 | 3 | 0 | C2,C4,C6,C7,C9,N11 |
| C5N1 | 0.116 | 3 | 0 | C3,C5,C6,C8,C9,N12 |
| C5N1 | 0.116 | 3 | 0 | C3,C5,C6,C7,C9,N11 |
| C5N1 | 0.116 | 3 | 0 | C3,C4,C6,C7,C9,N11 |
| C5N1 | 0.116 | 3 | 0 | C4,C5,C6,C7,C9,N11 |
| C5N1 | 0.116 | 3 | 0 | C5,C6,C7,C8,C9,N12 |
| C5N1 | 0.116 | 3 | 0 | C5,C6,C7,C8,C9,N11 |
| C5N1 | 0.116 | 3 | 0 | C5,C6,C8,C9,C10,N12 |
| C5O1 | 0.139 | 1 | 0 | C1,C2,C3,C6,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C1,C3,C5,C6,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C1,C3,C6,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C2,C4,C6,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C3,C4,C6,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C3,C5,C6,C8,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C3,C5,C6,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C4,C5,C6,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C5,C6,C8,C9,C10,O14 |
| C5O1 | 0.139 | 1 | 0 | C5,C6,C8,C9,C10,O15 |
| C5O1 | 0.139 | 1 | 0 | C5,C6,C7,C8,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C5,C6,C8,C9,C10,O13 |
| C6 | 0.096 | 5 | 1 | C1,C2,C3,C4,C6,C7 |
| C6 | 0.096 | 5 | 0 | C1,C3,C5,C6,C8,C9 |
| C6 | 0.096 | 5 | 0 | C1,C2,C3,C5,C6,C9 |
| C6 | 0.096 | 5 | 1 | C1,C2,C3,C4,C6,C9 |
| C6 | 0.096 | 5 | 1 | C1,C3,C5,C6,C7,C9 |
| C6 | 0.096 | 5 | 1 | C2,C4,C5,C6,C7,C9 |
| C6 | 0.096 | 5 | 1 | C3,C5,C6,C8,C9,C10 |
| C6 | 0.096 | 5 | 1 | C3,C4,C5,C6,C7,C9 |
| C6 | 0.096 | 5 | 1 | C3,C5,C6,C7,C8,C9 |
| C6 | 0.096 | 5 | 1 | C4,C5,C6,C7,C8,C9 |