Processed databases
Atom-Mass pairs
Outputs for Ketovaline; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001318
Synonyms: 3-Methyl-2-oxobutanoate, 2-Keto-3-methylbutyric acid, 2-Ketovaline, 2-Oxoisopentanoate, 3-Methyl-2-oxobutyric acid, 3-Methyl-2-oxobutanoic acid, 2-Oxo-3-methylbutanoate, alpha-Ketovaline, 2-Oxoisovalerate, Ketovaline
Total mass: 116.1149
Formula: H8 C5 O3
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:00.793332
Results for the quried mass "40.9"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3 | 0.172 | 5 | 0 | C1,C2,C3 |
| C3 | 0.172 | 5 | 1 | C1,C3,C4 |
| C3 | 0.172 | 5 | 1 | C2,C3,C4 |
| C2O1 | 0.129 | 1 | 0 | C3,C4,O6 |
| C2O1 | 0.129 | 1 | 0 | C4,C5,O7 |
| C2O1 | 0.129 | 1 | 1 | C4,C5,O8 |
| C2O1 | 0.129 | 1 | 1 | C4,C5,O6 |