Related entries (identical compound): OUF00289 GLS00033 GLS00034 OUF00290 KO001318 KO001315 KO001317 KO001316 MT000053

Submission id: MT000053

Outputs for Ketovaline; LC-ESI-IT; MS2; m/z: 115.1; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000053
Synonyms: Ketovaline, 3-methyl-2-oxobutyrate
Total mass: 116.1149
Formula: H8 C5 O3

Structure file (with ALATIS unique atom labels)

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: 60.1, 71.0, 73.2, 85.1, 86.0, 88.2, 97.1, 98.1, 115.1, 116.1,
Processing time: 0:00:01.209534
Queried mass list: ['59.200', '70.200', '72.300', '84.200', '87.100', '96.200', '114.300']

Queried mass	Num. matched formulas	Num. matched fragments
59.2	No match found!	No match found!
70.2 (link to fragments)	2	2
72.3 (link to fragments)	2	2
84.2	No match found!	No match found!
87.1	No match found!	No match found!
96.2 (link to fragments)	2	5
114.3 (link to fragments)	1	1