Processed databases
Atom-Mass pairs
Outputs for Homogentisic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001080
Synonyms: Homogentisate, 2,5-Dihydroxyphenylacetic acid, 2,5-Dihydroxyphenylacetate, Homogentisic acid
Total mass: 168.1464
Formula: H8 C8 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: 122.2, 123.1,
Processing time: 0:00:01.199033
Results for the quried mass "66.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1 | 0.266 | 3 | 0 | C3,C4,C5,C6,O9 |
| C4O1 | 0.266 | 3 | 1 | C4,C5,C7,C8,O11 |
| C4O1 | 0.266 | 3 | 0 | C4,C5,C7,C8,O12 |
| C4O1 | 0.266 | 3 | 0 | C4,C5,C7,C8,O10 |
| C4O1 | 0.266 | 3 | 1 | C3,C5,C6,C7,O10 |
| C4O1 | 0.266 | 3 | 1 | C3,C5,C6,C7,O9 |
| C4O1 | 0.266 | 3 | 0 | C1,C2,C6,C7,O10 |
| C4O1 | 0.266 | 3 | 0 | C1,C2,C6,C7,O9 |
| C4O1 | 0.266 | 3 | 0 | C1,C2,C5,C7,O10 |
| C4O1 | 0.266 | 3 | 0 | C1,C3,C5,C6,O9 |
| C4O1 | 0.266 | 3 | 0 | C1,C2,C3,C6,O9 |
| C4O1 | 0.266 | 3 | 0 | C2,C3,C5,C7,O10 |
| C4O1 | 0.266 | 3 | 0 | C2,C4,C5,C7,O10 |
| C4O1 | 0.266 | 3 | 0 | C3,C4,C5,C8,O11 |
| C4O1 | 0.266 | 3 | 0 | C3,C4,C5,C8,O12 |
| C4O1 | 0.266 | 3 | 0 | C3,C4,C5,C7,O10 |
| C3O2 | 0.223 | 1 | 0 | C4,C5,C8,O11,O12 |