Processed databases
Atom-Mass pairs
Outputs for esculetin; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
Database: European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Hinxton, UK.
Entry ID: ML003901
Synonyms: esculetin, 6,7-dihydroxychromen-2-one
Total mass: 178.1413
Formula: H6 C9 O4
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap Velos Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 79.0544, 107.0493, 135.0445,
Processing time: 0:00:01.943764
Results for the quried mass "89.0389"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1 | 0.033 | 1 | 0 | C3,C4,C5,C6,C7,C8,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C9,O12 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C9,O10 |
| C6O1 | 0.033 | 1 | 0 | C3,C4,C5,C6,C7,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C3,C4,C5,C6,C7,C8,O10 |
| C6O1 | 0.033 | 1 | 0 | C3,C5,C6,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C4,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C4,C5,C6,C7,C8,O10 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C7,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C4,C5,C7,C8,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C4,C5,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C4,C5,C8,C9,O12 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C6,C7,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C6,C7,O10 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C7,C8,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C5,C6,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C5,C6,C7,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C5,C6,C7,C8,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C6,C8,O10 |
| C6O1 | 0.033 | 1 | 0 | C1,C4,C5,C6,C7,C8,O11 |
| C6O1 | 0.033 | 1 | 0 | C1,C4,C5,C6,C7,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C4,C5,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C7,O10 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C4,C5,C7,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C6,C8,O10 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C6,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C7,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C4,C5,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C1,C3,C5,C6,C7,C8,O10 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C5,C8,C9,O12 |
| C6O1 | 0.033 | 1 | 0 | C1,C2,C3,C4,C5,C8,O13 |
| C6O1 | 0.033 | 1 | 0 | C2,C4,C6,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C2,C3,C5,C6,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C2,C3,C4,C5,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C2,C4,C5,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C3,C4,C6,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C3,C4,C5,C7,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C3,C4,C5,C6,C8,C9,O13 |
| C6O1 | 0.033 | 1 | 0 | C4,C5,C6,C7,C8,C9,O13 |
| C7 | 0.076 | 5 | 2 | C1,C2,C3,C5,C6,C8,C9 |
| C7 | 0.076 | 5 | 2 | C1,C2,C3,C5,C6,C7,C9 |
| C7 | 0.076 | 5 | 2 | C1,C2,C4,C5,C7,C8,C9 |
| C7 | 0.076 | 5 | 2 | C1,C3,C4,C5,C6,C7,C8 |
| C7 | 0.076 | 5 | 1 | C1,C2,C3,C4,C5,C6,C7 |
| C7 | 0.076 | 5 | 2 | C1,C2,C4,C5,C6,C7,C8 |
| C7 | 0.076 | 5 | 1 | C1,C2,C3,C4,C5,C7,C8 |
| C7 | 0.076 | 5 | 1 | C1,C2,C3,C4,C5,C6,C8 |
| C7 | 0.076 | 5 | 2 | C1,C2,C3,C5,C6,C7,C8 |
| C7 | 0.076 | 5 | 1 | C1,C2,C3,C4,C5,C8,C9 |