Processed databases
Atom-Mass pairs
Outputs for Phenylalanine; LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000277
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: 299.251678,
Replicated queried mass peaks: 120.073204, 120.074181, 120.075188, 120.076218, 120.078323, 120.080719, 120.08316, 120.084068, 120.085091, 120.086105, 120.087128, 120.088104, 120.089119, 120.090073, 148.047241, 149.059647,
Processing time: 0:00:00.718645
Results for the quried mass "131.04921"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O2N1 | 0.039 | 1 | 0 | C3,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C7O2N1 | 0.039 | 1 | 0 | C2,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C7O2N1 | 0.039 | 1 | 0 | C1,C3,C5,C6,C7,C8,C9,N10,O11,O12 |
| C7O2N1 | 0.039 | 1 | 0 | C1,C2,C4,C6,C7,C8,C9,N10,O11,O12 |