MassBank Record: KO000631



 Decanoic 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: KO000631
RECORD_TITLE: Decanoic 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 171 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-1900000000-d5dbc60c65c1a7d34e2f PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 44.900 123762.5 18 55.100 24752.5 4 57.400 14851.5 2 58.800 118812.0 18 71.100 118812.0 18 73.000 29703.0 4 79.000 292079.5 43 80.100 59406.0 9 83.200 64356.5 10 88.800 49505.0 7 95.100 39604.0 6 97.200 84158.5 13 99.200 103960.5 15 109.100 39604.0 6 110.500 24752.5 4 127.500 44554.5 7 132.900 14851.5 2 151.200 113861.5 17 153.100 777228.5 116 171.200 6712878.0 999 //