Processed databases
Atom-Mass pairs
Outputs for Kynurenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00647
Synonyms: Kynurenic acid
Total mass: 189.1672
Formula: H7 C10 O3 N1
Experimental information
MS type: MS2
Instrument: maXis (Bruker Daltonics)
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 90.0394, 117.0524, 145.0475, 163.0581,
Processing time: 0:00:01.427935
Results for the quried mass "89.0379"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6N1 | 0.057 | 3 | 0 | C1,C2,C3,C4,C6,C7,N11 |
| C6O1 | 0.034 | 1 | 0 | C1,C2,C3,C5,C6,C9,O12 |
| C6O1 | 0.034 | 1 | 0 | C1,C2,C3,C4,C6,C9,O12 |
| C7 | 0.077 | 5 | 1 | C1,C2,C3,C4,C6,C7,C9 |
| C7 | 0.077 | 5 | 1 | C1,C2,C4,C5,C6,C7,C9 |
| C7 | 0.077 | 5 | 2 | C1,C3,C5,C6,C8,C9,C10 |
| C7 | 0.077 | 5 | 1 | C1,C2,C3,C5,C6,C8,C9 |
| C7 | 0.077 | 5 | 0 | C1,C2,C3,C4,C5,C6,C9 |
| C7 | 0.077 | 5 | 1 | C1,C3,C4,C5,C6,C7,C9 |
| C7 | 0.077 | 5 | 2 | C1,C3,C5,C6,C7,C8,C9 |
| C7 | 0.077 | 5 | 2 | C2,C4,C5,C6,C7,C8,C9 |
| C7 | 0.077 | 5 | 1 | C1,C2,C3,C5,C6,C7,C9 |
| C7 | 0.077 | 5 | 1 | C2,C3,C4,C5,C6,C7,C9 |
| C7 | 0.077 | 5 | 2 | C3,C4,C5,C6,C7,C8,C9 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C7,C8,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C7,C8,C9,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C7,C8,C9,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C7,C8,C9,C10,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C6,C7,C8,C9,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C6,C7,C8,C9,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C6,C7,C8,C9,C10,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C1,C3,C6,C7,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C2,C4,C7,C8,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C2,C4,C7,C8,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C2,C4,C6,C7,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C6,C7,C8,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C6,C7,C8,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C5,C6,C8,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C6,C7,C8,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C5,C6,C7,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C5,C7,C8,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C5,C7,C8,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C5,C7,C8,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C6,C7,C8,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C6,C7,C8,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C6,C7,C8,C9,N11,O12 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C7,C8,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C7,C8,C10,N11,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C8,C9,C10,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C8,C9,C10,N11,O14 |