MassBank Record: KO001039



 8-Hydroxyoctanoic 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: KO001039
RECORD_TITLE: 8-Hydroxyoctanoic 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-7079a2c0866f406100d0 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 35.100 74257.5 6 43.400 59406.0 5 55.100 163366.5 13 57.300 34653.5 3 59.100 54455.5 4 82.900 113861.5 9 85.000 232673.5 18 109.000 207921.0 16 111.200 1594061.0 122 113.200 13054468.5 999 123.400 277228.0 21 141.000 272277.5 21 157.100 569307.5 44 159.100 4099014.0 314 //