Processed databases
Atom-Mass pairs
Outputs for L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003666
Synonyms: Phe, (S)-alpha-Amino-beta-phenylpropionic acid, L-Phenylalanine, L-(-)-Phenylalanine
Total mass: 165.1887
Formula: H11 C9 O2 N1
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 184.1,
Replicated queried mass peaks: 89.0, 93.0, 104.2, 105.1, 107.0, 117.0, 120.9, 122.2, 149.3,
Processing time: 0:00:02.328563
Results for the quried mass "82.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O2N1 | 0.246 | 1 | 0 | C6,C8,C9,N10,O11,O12 |
| C5O1 | 0.308 | 7 | 2 | C4,C6,C7,C8,C9,O12 |
| C5O1 | 0.308 | 7 | 2 | C5,C6,C7,C8,C9,O12 |
| C4O1N1 | 0.288 | 5 | 0 | C6,C7,C8,C9,N10,O11 |
| C4O1N1 | 0.288 | 5 | 0 | C6,C7,C8,C9,N10,O12 |
| C5N1 | 0.331 | 9 | 2 | C2,C4,C6,C7,C8,N10 |
| C5N1 | 0.331 | 9 | 2 | C3,C5,C6,C7,C8,N10 |
| C5N1 | 0.331 | 9 | 2 | C4,C5,C6,C7,C8,N10 |
| C7 | 0.267 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7 |
| C4O2 | 0.265 | 3 | 0 | C6,C7,C8,C9,O11,O12 |