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 "162.0549"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O3 | 0.087 | 6 | 0 | C1,C2,C3,C4,C5,C6,C8,C9,C10,O12,O13,O14 |
| C8O3N1 | 0.067 | 4 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C8O3N1 | 0.067 | 4 | 0 | C2,C4,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C8O3N1 | 0.067 | 4 | 0 | C1,C3,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C8O3N1 | 0.067 | 4 | 0 | C1,C2,C4,C5,C7,C8,C9,C10,N11,O12,O13,O14 |
| C8O3N1 | 0.067 | 4 | 0 | C1,C2,C3,C5,C6,C8,C9,C10,N11,O12,O13,O14 |