Processed databases
Atom-Mass pairs
Outputs for Homovanillic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001074
Synonyms: Homovanillate, Homovanillic acid
Total mass: 182.1729
Formula: H10 C9 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: 94.3, 108.3, 121.3,
Processing time: 0:00:01.937101
Results for the quried mass "78.6"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.477 | 3 | 0 | C2,C4,C6,C7,C8,O10 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C4,C6,C8,O13 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C5,C6,C9,O11 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C5,C6,C9,O12 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C4,C7,C8,O13 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C4,C7,C8,O10 |
| C5O1 | 0.477 | 3 | 1 | C2,C3,C6,C7,C8,O13 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C4,C6,C7,O10 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C5,C6,C7,O10 |
| C5O1 | 0.477 | 3 | 0 | C2,C4,C5,C6,C9,O11 |
| C5O1 | 0.477 | 3 | 0 | C2,C4,C5,C6,C9,O12 |
| C5O1 | 0.477 | 3 | 1 | C2,C4,C6,C7,C8,O13 |
| C5O1 | 0.477 | 3 | 0 | C2,C4,C5,C6,C8,O13 |
| C5O1 | 0.477 | 3 | 0 | C2,C3,C6,C7,C8,O10 |
| C5O1 | 0.477 | 3 | 1 | C3,C4,C6,C7,C8,O13 |
| C5O1 | 0.477 | 3 | 0 | C3,C4,C6,C7,C8,O10 |
| C5O1 | 0.477 | 3 | 0 | C4,C5,C6,C7,C8,O10 |
| C5O1 | 0.477 | 3 | 0 | C4,C5,C6,C8,C9,O13 |
| C5O1 | 0.477 | 3 | 0 | C4,C5,C6,C8,C9,O11 |
| C5O1 | 0.477 | 3 | 0 | C4,C5,C6,C8,C9,O12 |
| C5O1 | 0.477 | 3 | 0 | C4,C5,C6,C7,C8,O13 |
| C6 | 0.488 | 6 | 1 | C2,C3,C4,C5,C6,C9 |
| C6 | 0.488 | 6 | 1 | C2,C3,C4,C5,C6,C7 |
| C6 | 0.488 | 6 | 1 | C2,C3,C4,C5,C6,C8 |
| C4O2 | 0.434 | 1 | 0 | C2,C3,C7,C8,O10,O13 |
| C4O2 | 0.434 | 1 | 0 | C2,C5,C6,C9,O11,O12 |
| C4O2 | 0.434 | 1 | 0 | C3,C4,C7,C8,O10,O13 |
| C4O2 | 0.434 | 1 | 0 | C4,C5,C6,C9,O11,O12 |
| C4O2 | 0.434 | 1 | 0 | C4,C6,C7,C8,O10,O13 |