Processed databases
Atom-Mass pairs
Outputs for Esculetin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
Database: Institute of Biological Chemistry, Washington State University
Entry ID: BML01684
Synonyms: Esculetin
Total mass: 178.1413
Formula: H6 C9 O4
Experimental information
MS type: MS2
Instrument: Agilent 1200 RRLC; Agilent 6520 QTOF
Instrument type: LC-ESI-QTOF
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 104.0259, 105.0654, 106.1528, 107.0142, 133.0666, 133.0891, 149.3111,
Processing time: 0:00:01.193403
Results for the quried mass "133.0298"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O3 | 0.051 | 1 | 0 | C1,C3,C4,C5,C6,C7,C8,O10,O11,O13 |
| C7O3 | 0.051 | 1 | 0 | C1,C2,C4,C5,C7,C8,C9,O11,O12,O13 |
| C7O3 | 0.051 | 1 | 0 | C1,C2,C3,C5,C6,C8,C9,O10,O12,O13 |
| C7O3 | 0.051 | 1 | 0 | C1,C2,C3,C5,C6,C7,C9,O10,O11,O12 |
| C8O2 | 0.094 | 5 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10,O11 |