Processed databases
Atom-Mass pairs
Outputs for Phenylalanine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000037
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: 171.287598,173.552032,180.046921,182.135071,185.691071,
Replicated queried mass peaks: 68.374451, 71.118057, 81.332947, 82.110863, 82.224602, 87.425652, 103.486115, 149.058777, 164.167801,
Processing time: 0:00:02.419286
Results for the quried mass "148.075378"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O1N1 | 0.106 | 10 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O12 |
| C9O1N1 | 0.106 | 10 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O11 |
| C9O2 | 0.083 | 8 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,O11,O12 |
| C8O2N1 | 0.063 | 6 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.063 | 6 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.063 | 6 | 0 | C1,C2,C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.063 | 6 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8O2N1 | 0.063 | 6 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N10,O11,O12 |