Processed databases
Atom-Mass pairs
Outputs for 4-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001351
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: 91.9,
Processing time: 0:00:00.743437
Results for the quried mass "119.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O2 | 0.097 | 3 | 0 | C1,C3,C4,C5,C6,C7,C8,O9,O10 |
| C7O2 | 0.097 | 3 | 0 | C1,C2,C4,C5,C6,C7,C8,O9,O10 |
| C7O2 | 0.097 | 3 | 0 | C1,C2,C3,C5,C6,C7,C8,O9,O10 |
| C7O2 | 0.097 | 3 | 0 | C1,C2,C3,C4,C6,C7,C8,O9,O10 |
| C7O2 | 0.097 | 3 | 0 | C2,C3,C4,C5,C6,C7,C8,O9,O10 |
| C8O1 | 0.140 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10 |
| C8O1 | 0.140 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O9 |