MassBank Record: KO001296



 Linoleic 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: KO001296
RECORD_TITLE: Linoleic 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 L030

CH$NAME: (9Z, 12Z)-Octadecadienoate CH$NAME: Linoleic acid CH$NAME: 9-cis,12-cis-Octadecadienoic acid CH$NAME: (9Z,12Z)-Octadecadienoic acid CH$NAME: 9-cis,12-cis-Octadecadienoate CH$NAME: Linoleate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C18H32O2 CH$EXACT_MASS: 280.24023 CH$SMILES: CCCCCC=CCC=CCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- CH$LINK: CAS 60-33-3 CH$LINK: CHEBI 30245 CH$LINK: KEGG C01595 CH$LINK: NIKKAJI J4.801A CH$LINK: PUBCHEM SID:4750
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 279 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0090000000-3406b2b2d5756807e1cd PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 59.100 1341585.5 4 72.800 54455.5 1 83.300 44554.5 1 97.000 49505.0 1 125.600 34653.5 1 141.000 158416.0 1 141.400 59406.0 1 146.900 39604.0 1 152.700 19802.0 1 157.200 272277.5 1 179.100 44554.5 1 182.900 24752.5 1 190.400 19802.0 1 197.500 49505.0 1 207.200 34653.5 1 219.400 1896041.5 6 220.400 49505.0 1 235.200 103960.5 1 239.100 34653.5 1 250.700 69307.0 1 259.100 19802.0 1 261.300 529703.5 2 279.400 320817152.5 999 //