Processed databases
Atom-Mass pairs
Outputs for Kynurenic Acid; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
Database: Institute of Biological Chemistry, Washington State University
Entry ID: BML00236
Synonyms: Kynurenic Acid
Total mass: 189.1672
Formula: H7 C10 O3 N1
Experimental information
MS type: MS2
Instrument: Agilent 1200 RRLC; Agilent 6520 QTOF
Instrument type: LC-ESI-QTOF
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 144.0828, 144.1063, 144.1277, 144.1544, 172.0771,
Processing time: 0:00:01.210602
Results for the quried mass "172.0398"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10O3 | 0.097 | 4 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C1,C2,C4,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,C10,N11,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C1,C2,C3,C4,C5,C7,C8,C9,C10,N11,O12,O13,O14 |
| C9O3N1 | 0.077 | 2 | 0 | C1,C2,C3,C4,C5,C6,C8,C9,C10,N11,O12,O13,O14 |
| C10O2N1 | 0.120 | 6 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N11,O13,O14 |
| C10O2N1 | 0.120 | 6 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N11,O12,O14 |
| C10O2N1 | 0.120 | 6 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N11,O12,O13 |