Processed databases
Atom-Mass pairs
Outputs for Gallic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000890
Synonyms: Gallate, Pyrogallol-5-carboxylic acid, 3,4,5-Trihydroxybenzoate, 3,4,5-Trihydroxybenzoic acid, Gallic acid
Total mass: 170.1193
Formula: H6 C7 O5
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 55.0, 58.8, 68.9, 81.1, 96.9, 107.7, 124.0, 125.0,
Processing time: 0:00:02.317610
Results for the quried mass "86.6"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O3 | 0.454 | 3 | 0 | C4,C5,C6,O8,O9,O10 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C5,C6,O8 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C5,C6,O9 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C5,C6,O10 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C5,C6,C7,O11 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C5,C6,C7,O12 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C5,C6,C7,O10 |
| C6O1 | 0.456 | 1 | 0 | C1,C3,C4,C5,C6,C7,O9 |
| C6O1 | 0.456 | 1 | 0 | C1,C3,C4,C5,C6,C7,O11 |
| C6O1 | 0.456 | 1 | 0 | C1,C3,C4,C5,C6,C7,O12 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C6,C7,O11 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C6,C7,O12 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C6,C7,O10 |
| C6O1 | 0.456 | 1 | 0 | C2,C3,C4,C5,C6,C7,O8 |
| C6O1 | 0.456 | 1 | 0 | C2,C3,C4,C5,C6,C7,O11 |
| C6O1 | 0.456 | 1 | 0 | C2,C3,C4,C5,C6,C7,O12 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C5,C7,O11 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C5,C7,O12 |
| C6O1 | 0.456 | 1 | 0 | C1,C2,C3,C4,C5,C7,O9 |
| C6O1 | 0.456 | 1 | 0 | C2,C3,C4,C5,C6,C7,O9 |
| C6O1 | 0.456 | 1 | 0 | C2,C3,C4,C5,C6,C7,O10 |
| C7 | 0.499 | 3 | 1 | C1,C2,C3,C4,C5,C6,C7 |