Processed databases
Atom-Mass pairs
Outputs for Gentisic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000576
Synonyms: 2,5-Dihydroxybenzoate, Hydroquinonecarboxylic acid, Gentisate, Gentisic acid
Total mass: 154.1199
Formula: H6 C7 O4
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: 81.1, 109.2,
Processing time: 0:00:01.914701
Results for the quried mass "79.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.223 | 3 | 0 | C1,C3,C4,C5,C6,O9 |
| C5O1 | 0.223 | 3 | 1 | C1,C2,C5,C6,C7,O10 |
| C5O1 | 0.223 | 3 | 1 | C1,C3,C4,C5,C7,O10 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C5,C6,C7,O11 |
| C5O1 | 0.223 | 3 | 0 | C1,C3,C4,C5,C7,O11 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C3,C5,C6,O9 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C4,C5,C6,O8 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C5,C6,C7,O9 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C3,C4,C6,O9 |
| C5O1 | 0.223 | 3 | 0 | C1,C3,C4,C5,C6,O8 |
| C5O1 | 0.223 | 3 | 0 | C1,C3,C4,C5,C7,O8 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C3,C4,C5,O8 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C3,C4,C6,O8 |
| C5O1 | 0.223 | 3 | 0 | C2,C3,C4,C5,C6,O8 |
| C5O1 | 0.223 | 3 | 0 | C2,C3,C4,C5,C6,O9 |
| C5O1 | 0.223 | 3 | 1 | C2,C3,C5,C6,C7,O10 |
| C5O1 | 0.223 | 3 | 0 | C2,C3,C5,C6,C7,O11 |
| C5O1 | 0.223 | 3 | 0 | C1,C2,C4,C5,C6,O9 |
| C5O1 | 0.223 | 3 | 1 | C3,C4,C5,C6,C7,O11 |
| C5O1 | 0.223 | 3 | 1 | C3,C4,C5,C6,C7,O9 |
| C5O1 | 0.223 | 3 | 1 | C3,C4,C5,C6,C7,O8 |
| C4O2 | 0.266 | 1 | 0 | C1,C2,C4,C6,O8,O9 |