Processed databases
Atom-Mass pairs
Outputs for 3-methyl-2-oxovalerate; LC-ESI-IT; MS2; m/z: 129.2; [M-H]-
Database: Metabolon Inc.
Entry ID: MT000121
Synonyms: 3-methyl-2-oxovalerate, Ketoisoleucine
Total mass: 130.1414
Formula: H10 C6 O3
Experimental information
MS type: MS2
Instrument: LTQ XL, Thermo Finnigan
Instrument type: LC-ESI-IT
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 58.2, 59.2, 71.2, 83.3, 84.3, 86.1, 87.2, 98.2, 100.2, 101.2, 111.2, 129.2,
Processing time: 0:00:01.524724
Results for the quried mass "69.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1 | 0.218 | 5 | 1 | C3,C4,C5,C6,O8 |
| C4O1 | 0.218 | 5 | 0 | C1,C3,C4,C5,O7 |
| C4O1 | 0.218 | 5 | 0 | C2,C4,C5,C6,O8 |
| C4O1 | 0.218 | 5 | 1 | C2,C4,C5,C6,O9 |
| C3O2 | 0.261 | 1 | 0 | C4,C5,C6,O8,O9 |
| C3O2 | 0.261 | 1 | 0 | C4,C5,C6,O7,O8 |
| C3O2 | 0.261 | 1 | 0 | C4,C5,C6,O7,O9 |