Processed databases
Atom-Mass pairs
Outputs for Benzoylformic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000362
Synonyms: Benzoylformate, Phenylglyoxylic acid, Benzoylformic acid, alpha-Oxo-benzeneacetic acid, Phenylglyoxylate
Total mass: 150.1312
Formula: H6 C8 O3
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: 74.8, 93.0, 121.6,
Processing time: 0:00:01.972098
Results for the quried mass "77.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.061 | 1 | 0 | C4,C5,C6,C7,C8,O10 |
| C5O1 | 0.061 | 1 | 0 | C4,C5,C6,C7,C8,O11 |
| C5O1 | 0.061 | 1 | 0 | C1,C2,C4,C6,C7,O9 |
| C5O1 | 0.061 | 1 | 0 | C1,C3,C5,C6,C7,O9 |
| C5O1 | 0.061 | 1 | 0 | C2,C4,C6,C7,C8,O10 |
| C5O1 | 0.061 | 1 | 0 | C2,C4,C6,C7,C8,O11 |
| C5O1 | 0.061 | 1 | 0 | C2,C4,C5,C6,C7,O9 |
| C5O1 | 0.061 | 1 | 0 | C2,C4,C6,C7,C8,O9 |
| C5O1 | 0.061 | 1 | 0 | C3,C5,C6,C7,C8,O10 |
| C5O1 | 0.061 | 1 | 0 | C3,C5,C6,C7,C8,O11 |
| C5O1 | 0.061 | 1 | 0 | C3,C4,C5,C6,C7,O9 |
| C5O1 | 0.061 | 1 | 0 | C3,C5,C6,C7,C8,O9 |
| C6 | 0.104 | 5 | 0 | C1,C2,C3,C4,C5,C6 |