Processed databases
Atom-Mass pairs
Outputs for L-Isoleucine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003175
Synonyms: Ile, 2-Amino-3-methylvaleric acid, L-Isoleucine
Total mass: 131.1724
Formula: H13 C6 O2 N1
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 40.9, 44.0, 45.0, 56.2, 57.3, 67.9, 69.7, 86.3, 99.9,
Processing time: 0:00:01.494805
Results for the quried mass "69.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O2N1 | 0.281 | 1 | 0 | O9,C5,C6,N7,O8 |
| C3O1N1 | 0.238 | 3 | 0 | C4,C5,C6,N7,O8 |
| C3O1N1 | 0.238 | 3 | 0 | C4,C5,C6,N7,O9 |
| C4O1 | 0.218 | 5 | 1 | C3,C4,C5,C6,O8 |
| C4O1 | 0.218 | 5 | 0 | C3,C4,C5,C6,O9 |
| C4O1 | 0.218 | 5 | 0 | C2,C4,C5,C6,O8 |
| C4O1 | 0.218 | 5 | 0 | C2,C4,C5,C6,O9 |
| C4N1 | 0.195 | 7 | 0 | C1,C3,C4,C5,N7 |
| C4N1 | 0.195 | 7 | 1 | C3,C4,C5,C6,N7 |
| C3O2 | 0.261 | 1 | 0 | C4,C5,C6,O8,O9 |