Processed databases
Atom-Mass pairs
Outputs for Homogentisic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001078
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: 80.0, 107.9, 121.9, 123.2,
Processing time: 0:00:01.848723
Results for the quried mass "79.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C6,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C6,C8,O11 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C6,C8,O12 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C6,C7,O9 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C6,C8,O9 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C5,C6,C7,O9 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C5,C6,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C1,C3,C5,C6,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C3,C5,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C4,C5,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C3,C6,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C1,C3,C4,C5,C6,O9 |
| C5O1 | 0.077 | 3 | 0 | C1,C3,C5,C6,C7,O9 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C3,C5,C6,O9 |
| C5O1 | 0.077 | 3 | 0 | C1,C2,C3,C6,C7,O9 |
| C5O1 | 0.077 | 3 | 0 | C2,C3,C5,C6,C7,O9 |
| C5O1 | 0.077 | 3 | 0 | C2,C4,C5,C7,C8,O11 |
| C5O1 | 0.077 | 3 | 0 | C2,C4,C5,C7,C8,O12 |
| C5O1 | 0.077 | 3 | 0 | C2,C3,C5,C6,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C2,C4,C5,C7,C8,O10 |
| C5O1 | 0.077 | 3 | 0 | C2,C3,C4,C5,C7,O10 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C7,C8,O10 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C7,C8,O11 |
| C5O1 | 0.077 | 3 | 0 | C3,C4,C5,C7,C8,O12 |
| C6 | 0.119 | 7 | 2 | C1,C2,C3,C4,C5,C6 |
| C6 | 0.119 | 7 | 2 | C1,C2,C3,C4,C5,C7 |
| C4O2 | 0.034 | 1 | 0 | C3,C4,C5,C8,O11,O12 |
| C4O2 | 0.034 | 1 | 0 | C1,C2,C6,C7,O9,O10 |