Processed databases
Atom-Mass pairs
Outputs for 3-Phenylpropionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001707
Synonyms: 3-Phenylpropionate, 3-Phenyl-propionic acid, Phenylpropanoate, 3-Phenylpropanoic acid, 3-Phenylpropionic acid
Total mass: 150.1741
Formula: H10 C9 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: 89.1, 94.5, 103.5, 104.9, 131.3, 149.3,
Processing time: 0:00:01.908484
Results for the quried mass "134.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O1 | 0.025 | 10 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,O11 |
| C9O1 | 0.025 | 10 | 1 | C1,C2,C3,C4,C5,C6,C7,C8,C9,O10 |
| C8O2 | 0.068 | 6 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,O10,O11 |
| C8O2 | 0.068 | 6 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,O10,O11 |
| C8O2 | 0.068 | 6 | 0 | C1,C2,C4,C5,C6,C7,C8,C9,O10,O11 |
| C8O2 | 0.068 | 6 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,O10,O11 |
| C8O2 | 0.068 | 6 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,O10,O11 |