Processed databases
Atom-Mass pairs
Outputs for Aesculetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00080
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: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 106.0377, 124.0474, 134.0325,
Processing time: 0:00:01.497604
Results for the quried mass "123.044"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O3 | 0.042 | 3 | 0 | C3,C4,C5,C6,C7,C8,O10,O11,O13 |
| C6O3 | 0.042 | 3 | 0 | C1,C2,C4,C7,C8,C9,O11,O12,O13 |
| C6O3 | 0.042 | 3 | 0 | C1,C2,C3,C5,C6,C9,O10,O12,O13 |
| C7O2 | 0.085 | 7 | 2 | C1,C3,C4,C5,C6,C7,C8,O10,O11 |
| C7O2 | 0.085 | 7 | 1 | C1,C2,C3,C4,C5,C6,C7,O10,O11 |
| C5O4 | 0.001 | 1 | 0 | C4,C6,C7,C8,C9,O10,O11,O12,O13 |