Processed databases
Atom-Mass pairs
Outputs for Phenylalanine; LC-ESI-ITFT; MS2; CE 25.0 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000278
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:
Replicated queried mass peaks: 120.07122, 120.072182, 120.073219, 120.074188, 120.075218, 120.076157, 120.077209, 120.080688, 120.083084, 120.084068, 120.085152, 120.086082, 120.087105, 120.088135, 120.089104, 120.090088, 148.047394, 149.05954,
Processing time: 0:00:00.764421
Results for the quried mass "147.043961"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O1N1 | 0.130 | 9 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O12 |
| C9O1N1 | 0.130 | 9 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O11 |
| C9O2 | 0.106 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,O11,O12 |
| C8O2N1 | 0.087 | 5 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.087 | 5 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.087 | 5 | 0 | C1,C2,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.087 | 5 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.087 | 5 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N10,O11,O12 |