Processed databases
Atom-Mass pairs
Outputs for Phenylalanine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000036
Synonyms: Phenylalanine
Total mass: 165.1887
Formula: H11 C9 O2 N1
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 180.836777,
Replicated queried mass peaks: 75.954475, 82.236847, 86.092964, 92.463074, 93.064789,
Processing time: 0:00:02.216514
Results for the quried mass "81.963821"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.117 | 4 | 0 | C6,C7,C8,C9,N10,O11 |
| C4O1N1 | 0.117 | 4 | 0 | C6,C7,C8,C9,N10,O12 |
| C3O2N1 | 0.074 | 0 | 0 | C6,C8,C9,N10,O11,O12 |
| C5N1 | 0.160 | 8 | 1 | C2,C4,C6,C7,C8,N10 |
| C5N1 | 0.160 | 8 | 1 | C3,C5,C6,C7,C8,N10 |
| C5N1 | 0.160 | 8 | 1 | C4,C5,C6,C7,C8,N10 |
| C5N1 | 0.160 | 8 | 2 | C4,C6,C7,C8,C9,N10 |
| C5N1 | 0.160 | 8 | 2 | C5,C6,C7,C8,C9,N10 |
| C5O1 | 0.136 | 6 | 2 | C4,C6,C7,C8,C9,O11 |
| C5O1 | 0.136 | 6 | 1 | C4,C6,C7,C8,C9,O12 |
| C5O1 | 0.136 | 6 | 2 | C5,C6,C7,C8,C9,O11 |
| C5O1 | 0.136 | 6 | 1 | C5,C6,C7,C8,C9,O12 |
| C4O2 | 0.094 | 2 | 0 | C6,C7,C8,C9,O11,O12 |