MassBank Record: CA000168



 Oleic acid; FAB-EBEB; MS2; m/z: 281.25; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000168
RECORD_TITLE: Oleic acid; FAB-EBEB; MS2; m/z: 281.25; [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] CA000168.jpg

CH$NAME: Oleic acid CH$COMPOUND_CLASS: Natural Product; Lipid CH$FORMULA: C18H34O2 CH$EXACT_MASS: 282.25588 CH$SMILES: CCCCCCCCC=CCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- CH$LINK: CHEBI 16196 30823 CH$LINK: CHEMSPIDER 393217 CH$LINK: KEGG C00712 D02315 CH$LINK: LIPIDMAPS LMFA01030002 CH$LINK: PUBCHEM 445639
AC$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 281.4036 MS$FOCUSED_ION: PRECURSOR_M/Z 281.25 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0090000000-89531b488fbe899c09e6 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 43.9306 0.15 1 57.9435 1.01 10 70.9424 1.51 15 71.9601 0.22 2 85.9877 0.31 3 99.0396 0.44 4 100.0543 0.27 3 113.1011 0.69 7 114.1309 0.15 1 127.1225 3.28 33 141.1360 0.23 2 155.1049 0.10 1 167.1677 0.25 2 181.1872 1.75 17 182.2025 1.92 19 195.1887 3.07 31 196.2087 0.13 1 209.2325 1.55 15 223.3277 1.09 11 237.2514 1.93 19 251.2636 1.49 15 252.3036 0.11 1 253.3110 0.14 1 263.3709 0.11 1 265.3149 1.02 10 279.3523 2.33 23 281.4036 99.97 999 //