Processed databases
Atom-Mass pairs
Outputs for Kynurenine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00641
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: 92.0492, 105.0442, 118.0649, 119.0682, 121.0474, 133.0478, 147.0633,
Processing time: 0:00:01.861283
Results for the quried mass "91.0538"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1 | 0.033 | 3 | 0 | C5,C6,C7,C8,C9,C10,O14 |
| C6O1 | 0.033 | 3 | 0 | C5,C6,C7,C8,C9,C10,O15 |
| C6O1 | 0.033 | 3 | 0 | C5,C6,C7,C8,C9,C10,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C4,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C3,C4,C6,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C3,C4,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C3,C5,C6,C8,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C3,C5,C6,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C3,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C3,C5,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C2,C3,C4,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C2,C4,C5,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C3,C5,C6,C8,C9,C10,O14 |
| C6O1 | 0.033 | 3 | 0 | C3,C5,C6,C8,C9,C10,O15 |
| C6O1 | 0.033 | 3 | 0 | C3,C5,C6,C8,C9,C10,O13 |
| C6O1 | 0.033 | 3 | 0 | C3,C4,C5,C6,C7,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C3,C5,C6,C7,C8,C9,O13 |
| C6O1 | 0.033 | 3 | 0 | C4,C5,C6,C7,C8,C9,O13 |
| C5O2 | 0.009 | 1 | 0 | C5,C6,C8,C9,C10,O14,O15 |
| C5O2 | 0.009 | 1 | 0 | C5,C6,C8,C9,C10,O13,O14 |
| C5O2 | 0.009 | 1 | 0 | C5,C6,C8,C9,C10,O13,O15 |
| C6N1 | 0.057 | 5 | 0 | C1,C2,C3,C4,C6,C7,N11 |
| C6N1 | 0.057 | 5 | 0 | C5,C6,C7,C8,C9,C10,N11 |
| C6N1 | 0.057 | 5 | 0 | C5,C6,C7,C8,C9,C10,N12 |
| C6N1 | 0.057 | 5 | 0 | C1,C3,C5,C6,C8,C9,N12 |
| C6N1 | 0.057 | 5 | 0 | C1,C2,C4,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C1,C3,C5,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C1,C2,C3,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C1,C3,C4,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C2,C4,C5,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C2,C3,C4,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C3,C5,C6,C7,C8,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C3,C5,C6,C8,C9,C10,N12 |
| C6N1 | 0.057 | 5 | 0 | C3,C5,C6,C7,C8,C9,N12 |
| C6N1 | 0.057 | 5 | 0 | C3,C4,C5,C6,C7,C9,N11 |
| C6N1 | 0.057 | 5 | 0 | C4,C5,C6,C7,C8,C9,N12 |
| C6N1 | 0.057 | 5 | 0 | C4,C5,C6,C7,C8,C9,N11 |
| C5N2 | 0.037 | 3 | 0 | C5,C6,C7,C8,C9,N11,N12 |
| C7 | 0.076 | 7 | 2 | C1,C2,C4,C5,C6,C7,C9 |
| C7 | 0.076 | 7 | 2 | C1,C3,C5,C6,C8,C9,C10 |
| C7 | 0.076 | 7 | 1 | C1,C2,C3,C5,C6,C8,C9 |
| C7 | 0.076 | 7 | 1 | C1,C2,C3,C4,C5,C6,C9 |
| C7 | 0.076 | 7 | 2 | C1,C3,C4,C5,C6,C7,C9 |
| C7 | 0.076 | 7 | 2 | C1,C3,C5,C6,C7,C8,C9 |
| C7 | 0.076 | 7 | 2 | C1,C2,C3,C5,C6,C7,C9 |
| C7 | 0.076 | 7 | 2 | C2,C4,C5,C6,C7,C8,C9 |
| C7 | 0.076 | 7 | 2 | C2,C3,C4,C5,C6,C7,C9 |
| C7 | 0.076 | 7 | 2 | C3,C4,C5,C6,C7,C8,C9 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C8,C9,C10,N12,O14 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C8,C9,C10,N12,O15 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C7,C8,C9,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C7,C8,C9,N12,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C5,C6,C8,C9,C10,N12,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C1,C3,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C2,C4,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C5,C6,C8,C9,N12,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C4,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C3,C5,C6,C7,C9,N11,O13 |
| C5O1N1 | 0.014 | 1 | 0 | C4,C5,C6,C7,C9,N11,O13 |