3-methyl-2-oxovalerate; LC-ESI-IT; MS2; m/z: 129.2; [M-H]-

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: MT000121

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: 2.0158
Out 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 "102.2"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.153	2	0	C1,C2,C3,C4,C5,C6,O8,O9
C6O2	0.153	2	0	C1,C2,C3,C4,C5,C6,O7,O9
C6O2	0.153	2	0	C1,C2,C3,C4,C5,C6,O7,O8
C4O3	0.112	6	1	C2,C4,C5,C6,O7,O8,O9