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: FIO00652
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: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 116.0506, 145.0489,
Processing time: 0:00:00.739983
Results for the quried mass "115.0438"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8O1 | 0.065 | 3 | 0 | C1,C2,C3,C4,C5,C6,C7,C9,O12 |
| C4O3N1 | 0.043 | 5 | 2 | C5,C8,C9,C10,N11,O12,O13,O14 |
| C7O1N1 | 0.045 | 1 | 0 | C1,C2,C3,C4,C6,C7,C9,N11,O12 |