MassBank Record: KO001010



 beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001010
RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:30 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 H022

CH$NAME: b-Hydroxybutyrate CH$NAME: (R)-3-Hydroxybutyric acid CH$NAME: (R)-3-Hydroxybutanoic acid CH$NAME: (R)-3-Hydroxybutanoate CH$NAME: beta-Hydroxybutyric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H8O3 CH$EXACT_MASS: 104.04734 CH$SMILES: C[C@@H](O)CC(O)=O CH$IUPAC: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CHEBI 17066 CH$LINK: KEGG C01089 CH$LINK: PUBCHEM SID:4324
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 103 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-022ab74e163dd752d054 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 41.200 1000001.0 394 43.200 69307.0 27 57.200 103960.5 41 59.200 2534656.0 999 84.800 14851.5 6 //