MassBank Record: KO000633



 Decanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000633
RECORD_TITLE: Decanoic acid; LC-ESI-QQ; MS2; CE:50 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 D059

CH$NAME: Decanoate CH$NAME: Decylic acid CH$NAME: Decanoic acid CH$NAME: n-Capric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: CCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) CH$LINK: CAS 334-48-5 CH$LINK: CHEBI 30813 CH$LINK: CHEMPDB DKA CH$LINK: KEGG C01571 CH$LINK: NIKKAJI J2.575E CH$LINK: PUBCHEM SID:4728
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 171 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-f3190b828218d04d3cc7 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 41.200 29703.0 193 45.000 64356.5 419 54.300 19802.0 129 57.500 29703.0 193 78.900 153465.5 999 //