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

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

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

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

Results for the quried mass "70.2"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O3	0.196	2	1	C4,C5,O6,O7,O8
C4O1	0.110	6	0	C1,C2,C3,C4,O6