Processed databases
Atom-Mass pairs
Outputs for Phenylalanine; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB000408
Synonyms: Phenylalanine , 2-amino-3-phenylpropanoic acid
Total mass: 165.1887
Formula: H11 C9 O2 N1
Experimental information
MS type: MS2
Instrument: API QSTAR Pulsar i
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 121.085,
Processing time: 0:00:01.541381
Results for the quried mass "79.055"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.002 | 1 | 0 | C6,C7,C8,C9,N10,O11 |
| C4O1N1 | 0.002 | 1 | 0 | C6,C7,C8,C9,N10,O12 |
| C5N1 | 0.045 | 5 | 0 | C5,C6,C7,C8,C9,N10 |
| C5N1 | 0.045 | 5 | 0 | C2,C4,C6,C7,C8,N10 |
| C5N1 | 0.045 | 5 | 0 | C3,C5,C6,C7,C8,N10 |
| C5N1 | 0.045 | 5 | 0 | C4,C5,C6,C7,C8,N10 |
| C5N1 | 0.045 | 5 | 0 | C4,C6,C7,C8,C9,N10 |
| C5O1 | 0.022 | 3 | 0 | C5,C6,C7,C8,C9,O11 |
| C5O1 | 0.022 | 3 | 0 | C5,C6,C7,C8,C9,O12 |
| C5O1 | 0.022 | 3 | 0 | C4,C6,C7,C8,C9,O11 |
| C5O1 | 0.022 | 3 | 0 | C4,C6,C7,C8,C9,O12 |
| C6 | 0.064 | 7 | 2 | C1,C2,C3,C4,C5,C7 |
| C4O2 | 0.021 | 1 | 0 | C6,C7,C8,C9,O11,O12 |