MassBank Record: KO001038



 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001038
RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:20 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 H034

CH$NAME: 8-Hydroxyoctanoate CH$NAME: 8-hydroxy-octanoic acid CH$NAME: 8-hydroxy caprylic acid CH$NAME: 8-Hydroxyoctanoic acid CH$NAME: Octanoic acid, 8-hydroxy- CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O3 CH$EXACT_MASS: 160.10994 CH$SMILES: OCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11) CH$LINK: CAS 764-89-6 CH$LINK: NIKKAJI J129.296J CH$LINK: PUBCHEM SID:10535208
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0900000000-b66c18c9e4adf94c6903 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 45.100 19802.0 1 59.200 59406.0 1 74.600 14851.5 1 83.200 113861.5 1 85.000 59406.0 1 86.900 44554.5 1 92.700 19802.0 1 95.000 9901.0 1 96.800 39604.0 1 99.000 29703.0 1 105.100 29703.0 1 111.300 1034654.5 5 111.600 123762.5 1 113.300 46905987.5 213 115.200 386139.0 2 122.900 2034655.5 9 128.800 9901.0 1 141.300 6465353.0 29 156.900 4509905.5 21 157.700 138614.0 1 159.100 219574477.0 999 //