ACCESSION: MSBNK-Kyoto_Univ-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$LINK: PUBCHEM CID:445639
CH$LINK: INCHIKEY ZQPPMHVWECSIRJ-KTKRTIGZSA-N
CH$LINK: COMPTOX DTXSID1025809

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
//