Processed databases
Atom-Mass pairs
Outputs for Aesculetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00084
Synonyms: Aesculetin
Total mass: 178.1413
Formula: H6 C9 O4
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: 95.05, 106.038, 107.0137, 134.0332, 149.0245, 150.0284, 178.023,
Processing time: 0:00:01.803642
Results for the quried mass "121.0295"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O3 | 0.041 | 1 | 0 | C3,C4,C5,C6,C7,C8,O10,O11,O13 |
| C6O3 | 0.041 | 1 | 0 | C1,C2,C4,C7,C8,C9,O11,O12,O13 |
| C6O3 | 0.041 | 1 | 0 | C1,C2,C3,C5,C6,C9,O10,O12,O13 |
| C7O2 | 0.084 | 5 | 0 | C1,C3,C4,C5,C6,C7,C8,O10,O11 |
| C7O2 | 0.084 | 5 | 1 | C1,C2,C3,C4,C5,C8,C9,O12,O13 |
| C7O2 | 0.084 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,O10,O11 |