Processed databases
Atom-Mass pairs
Outputs for Leucine; LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000688
Synonyms: Leucine
Total mass: 131.1724
Formula: H13 C6 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: 146.943802,167.372635,183.301651,285.296234,299.208252,
Replicated queried mass peaks: 86.096375, 96.703613, 96.773422, 299.221741,
Processing time: 0:00:01.638598
Results for the quried mass "69.304008"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O2N1 | 0.285 | 1 | 0 | O9,C5,C6,N7,O8 |
| C3O1N1 | 0.242 | 3 | 0 | C3,C5,C6,N7,O8 |
| C3O1N1 | 0.242 | 3 | 0 | C3,C5,C6,N7,O9 |
| C4O1 | 0.222 | 5 | 1 | C3,C4,C5,C6,O8 |
| C4O1 | 0.222 | 5 | 0 | C3,C4,C5,C6,O9 |
| C4N1 | 0.199 | 7 | 0 | C1,C3,C4,C5,N7 |
| C4N1 | 0.199 | 7 | 0 | C2,C3,C4,C5,N7 |
| C4N1 | 0.199 | 7 | 1 | C3,C4,C5,C6,N7 |
| C3O2 | 0.265 | 1 | 0 | C3,C5,C6,O8,O9 |