Processed databases
Atom-Mass pairs
Outputs for Kynurenine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00638
Synonyms: Kynurenine
Total mass: 208.2134
Formula: H12 C10 O3 N2
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: 137.0792, 164.0711, 193.0685, 194.0699, 210.0946,
Processing time: 0:00:02.226010
Results for the quried mass "174.0545"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O3N1 | 0.078 | 4 | 0 | C1,C2,C3,C4,C5,C6,C8,C9,C10,N12,O13,O14,O15 |
| C8O3N2 | 0.059 | 2 | 0 | C3,C4,C5,C6,C7,C8,C9,C10,N11,N12,O13,O14,O15 |
| C8O3N2 | 0.059 | 2 | 0 | C2,C4,C5,C6,C7,C8,C9,C10,N11,N12,O13,O14,O15 |
| C8O3N2 | 0.059 | 2 | 0 | C1,C3,C5,C6,C7,C8,C9,C10,N11,N12,O13,O14,O15 |