Processed databases
Atom-Mass pairs
Outputs for 4-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001350
Synonyms: 4-Methylbenzoate, Toluenecarboxylic acid, 4-Methylbenzoic acid, Toluate, Crithminic acid, p-Toluic acid, p-Toluate
Total mass: 136.1476
Formula: H8 C8 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, 107.0, 134.9,
Processing time: 0:00:00.783118
Results for the quried mass "91.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7 | 0.170 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7 |
| C5O2 | 0.256 | 1 | 0 | C3,C4,C5,C7,C8,O9,O10 |
| C5O2 | 0.256 | 1 | 0 | C2,C4,C5,C7,C8,O9,O10 |