alpha-Hydroxyisovaleric acid; LC-ESI-IT; MS2; m/z: 117.1; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: MT000081

Outputs for alpha-Hydroxyisovaleric acid; LC-ESI-IT; MS2; m/z: 117.1; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000081
Synonyms: alpha-Hydroxyisovaleric acid, alpha-hydroxyisovalerate
Total mass: 118.1307
Formula: H10 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: 71.9, 73.0, 99.1,
Processing time: 0:00:00.760132

Results for the quried mass "98.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O3	0.057	2	0	C2,C3,C4,C5,O6,O7,O8
C4O3	0.057	2	0	C1,C3,C4,C5,O6,O7,O8
C5O2	0.100	6	0	C1,C2,C3,C4,C5,O7,O8
C5O2	0.100	6	0	C1,C2,C3,C4,C5,O6,O8
C5O2	0.100	6	0	C1,C2,C3,C4,C5,O6,O7