Processed databases
Atom-Mass pairs
Outputs for 6-Methylcoumarin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00184
Synonyms: 6-Methylcoumarin
Total mass: 160.169
Formula: H8 C10 O2
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: 79.0528, 103.0543, 104.0591, 106.048, 116.0589,
Processing time: 0:00:01.428778
Results for the quried mass "105.0449"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.026 | 1 | 0 | C3,C4,C5,C8,C9,C10,O11,O12 |
| C6O2 | 0.026 | 1 | 0 | C3,C5,C6,C8,C9,C10,O11,O12 |
| C6O2 | 0.026 | 1 | 0 | C1,C2,C4,C7,C9,C10,O11,O12 |
| C6O2 | 0.026 | 1 | 0 | C2,C3,C4,C5,C9,C10,O11,O12 |
| C7O1 | 0.069 | 5 | 0 | C1,C3,C5,C6,C7,C8,C10,O11 |
| C7O1 | 0.069 | 5 | 0 | C1,C2,C4,C6,C7,C8,C9,O12 |
| C8 | 0.112 | 9 | 2 | C1,C2,C3,C4,C6,C7,C8,C9 |
| C8 | 0.112 | 9 | 1 | C1,C2,C3,C4,C5,C6,C7,C8 |