MassBank Record: KO001130



 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001130
RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H091

CH$NAME: 2-Hydroxy-4-methylpentanoate CH$NAME: D-2-Hydroxyisocaproate CH$NAME: 2-Hydroxy-4-methylpentanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O3 CH$EXACT_MASS: 132.07864 CH$SMILES: CC(C)CC(O)C(O)=O CH$IUPAC: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1 CH$LINK: CAS 20312-37-2 CH$LINK: KEGG C03264 CH$LINK: NIKKAJI J84.593K CH$LINK: PUBCHEM SID:6128
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-74d5e5f39ea37f777aca PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 36.600 14851.5 1 59.300 485149.0 1 69.100 44554.5 1 71.100 94059.5 1 85.200 8336642.0 23 98.900 331683.5 1 100.800 282178.5 1 113.100 430693.5 1 129.200 316832.0 1 130.400 8074265.5 22 131.000 368312249.5 999 148.700 14851.5 1 //