Processed databases
Atom-Mass pairs
Outputs for Aesculetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00081
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:
Processing time: 0:00:01.181448
Results for the quried mass "95.0491"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O3 | 0.016 | 1 | 0 | C4,C7,C8,C9,O11,O12,O13 |
| C4O3 | 0.016 | 1 | 0 | C4,C6,C7,C8,O10,O11,O13 |
| C8 | 0.029 | 1 | 0 | C1,C2,C4,C5,C6,C7,C8,C9 |
| C8 | 0.029 | 1 | 0 | C1,C2,C3,C5,C6,C7,C8,C9 |
| C8 | 0.029 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7,C8 |
| C8 | 0.029 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7,C9 |
| C8 | 0.029 | 1 | 0 | C1,C2,C3,C4,C5,C6,C8,C9 |
| C8 | 0.029 | 1 | 0 | C1,C2,C3,C4,C5,C7,C8,C9 |
| C5O2 | 0.027 | 3 | 0 | C3,C4,C5,C6,C7,O10,O11 |
| C5O2 | 0.027 | 3 | 0 | C3,C4,C6,C7,C8,O10,O11 |
| C5O2 | 0.027 | 3 | 0 | C1,C3,C5,C6,C7,O10,O11 |
| C5O2 | 0.027 | 3 | 1 | C1,C2,C5,C8,C9,O12,O13 |
| C5O2 | 0.027 | 3 | 0 | C1,C2,C4,C8,C9,O12,O13 |
| C5O2 | 0.027 | 3 | 0 | C1,C2,C3,C5,C9,O12,O13 |