MassBank Record: CA000167



 Linoleic acid; FAB-EBEB; MS2; m/z: 279.23; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000167
RECORD_TITLE: Linoleic acid; FAB-EBEB; MS2; m/z: 279.23; [M-H]-
DATE: 2016.01.19 (Created 2007.03.15, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000167.jpg

CH$NAME: Linoleic acid CH$COMPOUND_CLASS: Natural Product; Lipid 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$LINK: CHEBI 17351 30245 CH$LINK: CHEMSPIDER 4444105 CH$LINK: KEGG C01595 D01928 CH$LINK: LIPIDMAPS LMFA01030120 CH$LINK: PUBCHEM 5280450
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL AC$INSTRUMENT_TYPE: FAB-EBEB AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 % AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 279.3064 MS$FOCUSED_ION: PRECURSOR_M/Z 279.23 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0090000000-1e60655fb120c64bddff PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 43.8874 0.32 3 57.8994 2.18 22 58.9018 0.10 1 70.9066 3.07 31 71.9154 0.37 4 85.9483 0.62 6 98.9847 0.65 6 100.0102 0.29 3 113.0517 1.22 12 114.0638 0.22 2 127.0680 5.13 51 141.0611 0.87 9 153.0627 0.14 1 155.0692 0.24 2 167.1227 0.86 9 181.1282 1.29 13 182.1320 0.45 4 193.1129 0.35 3 195.1238 1.20 12 207.1497 1.02 10 208.1629 0.26 3 209.1724 0.18 2 221.2461 2.29 23 222.2534 0.42 4 235.1870 1.99 20 237.1854 0.14 1 249.1852 1.12 11 251.2118 0.17 2 261.3741 0.42 4 263.2339 0.94 9 277.2610 3.03 30 279.3064 99.97 999 //