MassBank Record: KO001040



 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001040
RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-5900000000-a2e7d7a69338290d6674 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 41.000 44554.5 96 42.900 34653.5 74 44.700 54455.5 117 55.000 183168.5 393 59.200 34653.5 74 81.000 49505.0 106 83.400 89109.0 191 85.400 59406.0 128 108.800 84158.5 181 111.200 301980.5 648 113.400 465347.0 999 156.900 9901.0 21 158.700 29703.0 64 //