MassBank Record: KO001112



 10-Hydroxydecanoic 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: KO001112
RECORD_TITLE: 10-Hydroxydecanoic 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 H077

CH$NAME: 10-Hydroxydecanoate CH$NAME: 10-Hydroxydecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H20O3 CH$EXACT_MASS: 188.14124 CH$SMILES: OCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) CH$LINK: CAS 1679-53-4 CH$LINK: CHEBI 17409 CH$LINK: KEGG C02774 CH$LINK: NIKKAJI J195.322B CH$LINK: PUBCHEM SID:5726
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 187 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-99fbf854a1376a9ed3d3 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 111.200 54455.5 7 124.700 39604.0 5 141.100 475248.0 59 169.000 247525.0 31 185.200 103960.5 13 187.300 7995057.5 999 //