ACCESSION: MSBNK-Chubu_Univ-UT000227
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-
DATE: 2016.01.19 (Created 2007.10.19, modified 2011.08.03)
AUTHORS: Nakanishi H, Taguchi R, Graduate School of Medicine, The University of Tokyo
LICENSE: CC BY-NC-SA

CH$NAME: 9,10-EODE
CH$NAME: 9,10-epoxy-12Z-octadecenoic acid
CH$NAME: (+-)9(10)-EpOME
CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid
CH$FORMULA: C₁₈H₃₂O₃
CH$EXACT_MASS: 296.23514
CH$SMILES: CCCCCC=CCC(O1)C(CCCCCCCC(O)=O)1
CH$IUPAC: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+
CH$LINK: CAYMAN 52400
CH$LINK: LIPIDBANK DFA8007
CH$LINK: INCHIKEY FBUKMFOXMZRGRB-JXMROGBWSA-N

AC$INSTRUMENT: 4000Q TRAP, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QIT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: IGNORE rel.val. < 0.5
MS$DATA_PROCESSING: WHOLE Analyst 1.4.2

PK$SPLASH: splash10-0002-0090000000-88843e1abeeee2b1b2e6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  153.224 27500.0 1
  170.564 110000.0 3
  171.234 4202500.0 99
  171.897 75000.0 2
  172.190 205000.0 5
  172.400 300000.0 7
  172.791 172500.0 4
  173.034 115000.0 3
  173.294 67500.0 2
  173.600 132500.0 3
  173.760 75000.0 2
  174.320 30000.0 1
  174.720 35000.0 1
  177.320 35000.0 1
  183.244 47500.0 1
  233.368 375000.0 9
  277.382 8512500.0 200
  278.156 282500.0 7
  278.544 455000.0 11
  278.777 260000.0 6
  278.960 80000.0 2
  279.149 152500.0 4
  279.455 57500.0 1
  279.840 22500.0 1
  280.000 30000.0 1
  294.104 47500.0 1
  295.161 42470000.0 999
  295.906 532500.0 13
  296.615 132500.0 3
//