Processed databases
Atom-Mass pairs
Outputs for Benzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000321
Synonyms: Benzoate, Benzoic acid, Dracylic acid, Phenylformic acid, Benzenecarboxylic acid
Total mass: 122.1211
Formula: H6 C7 O2
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: 92.2, 92.4, 121.3,
Processing time: 0:00:01.503136
Results for the quried mass "91.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2 | 0.044 | 1 | 0 | C3,C4,C5,C6,C7,O8,O9 |
| C5O2 | 0.044 | 1 | 0 | C2,C4,C5,C6,C7,O8,O9 |
| C5O2 | 0.044 | 1 | 0 | C1,C3,C5,C6,C7,O8,O9 |
| C5O2 | 0.044 | 1 | 0 | C1,C2,C4,C6,C7,O8,O9 |