Processed databases
Atom-Mass pairs
Outputs for L-(-)-Phenylalanine; LC-ESI-ITFT; MS2; m/z:120.08; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00090
Synonyms: L-Phenylalanine, (S)-alpha-Amino-beta-phenylpropionic acid, L-(-)-Phenylalanine
Total mass: 165.1887
Formula: H11 C9 O2 N1
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic
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: 79.992661, 92.9953,
Processing time: 0:00:01.568434
Results for the quried mass "78.958878"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.098 | 1 | 0 | C6,C7,C8,C9,N10,O11 |
| C4O1N1 | 0.098 | 1 | 0 | C6,C7,C8,C9,N10,O12 |
| C5N1 | 0.141 | 5 | 0 | C5,C6,C7,C8,C9,N10 |
| C5N1 | 0.141 | 5 | 0 | C2,C4,C6,C7,C8,N10 |
| C5N1 | 0.141 | 5 | 0 | C3,C5,C6,C7,C8,N10 |
| C5N1 | 0.141 | 5 | 0 | C4,C5,C6,C7,C8,N10 |
| C5N1 | 0.141 | 5 | 0 | C4,C6,C7,C8,C9,N10 |
| C5O1 | 0.118 | 3 | 0 | C5,C6,C7,C8,C9,O11 |
| C5O1 | 0.118 | 3 | 0 | C5,C6,C7,C8,C9,O12 |
| C5O1 | 0.118 | 3 | 0 | C4,C6,C7,C8,C9,O11 |
| C5O1 | 0.118 | 3 | 0 | C4,C6,C7,C8,C9,O12 |
| C6 | 0.161 | 7 | 2 | C1,C2,C3,C4,C5,C7 |
| C4O2 | 0.075 | 1 | 0 | C6,C7,C8,C9,O11,O12 |