Processed databases
Atom-Mass pairs
Related entries (identical compound):
JP006276
GLS00016
JP006711
JP010382
KO001708
KO001709
KO001706
KO001707
MT000037
OUF00269
JP009210
JP006710
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
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: 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
Queried mass list: ['58.800', '70.700', '76.900', '87.100', '92.800', '103.200', '121.000', '130.700', '134.200', '147.800']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 58.8 (link to fragments) | 3 | 17 |
| 70.7 (link to fragments) | 3 | 3 |
| 76.9 (link to fragments) | 2 | 5 |
| 87.1 (link to fragments) | 1 | 1 |
| 92.8 (link to fragments) | 2 | 3 |
| 103.2 (link to fragments) | 2 | 4 |
| 121.0 (link to fragments) | 1 | 4 |
| 130.7 (link to fragments) | 2 | 7 |
| 134.2 (link to fragments) | 2 | 7 |
| 147.8 (link to fragments) | 1 | 1 |