Processed databases
Atom-Mass pairs
Outputs for 3-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001353
Synonyms: 3-Methylbenzoate, m-Toluylic acid, m-Toluic Acid, beta-Bethylbenzoic acid, m-Methylbenzoate, 3-Methylbenzoic acid
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: 92.3,
Processing time: 0:00:01.498417
Results for the quried mass "91.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7 | 0.030 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7 |
| C5O2 | 0.056 | 1 | 0 | C1,C5,C6,C7,C8,O9,O10 |
| C5O2 | 0.056 | 1 | 0 | C2,C4,C5,C7,C8,O9,O10 |
| C5O2 | 0.056 | 1 | 0 | C2,C3,C4,C7,C8,O9,O10 |