ACCESSION: MSBNK-Chubu_Univ-UT000230
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$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$SPLASH: splash10-004i-0390000000-d3beda7e0cd3033887e7
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  125.123 97500.0 6
  127.040 17500.0 1
  139.040 10000.0 1
  139.200 20000.0 1
  141.200 22500.0 1
  141.360 12500.0 1
  151.168 60000.0 4
  152.880 17500.0 1
  153.142 82500.0 5
  153.440 10000.0 1
  155.131 87500.0 6
  163.120 10000.0 1
  165.040 27500.0 2
  165.200 10000.0 1
  167.200 15000.0 1
  170.400 10000.0 1
  171.120 6917500.0 451
  172.000 287500.0 19
  172.240 200000.0 13
  172.466 200000.0 13
  172.990 137500.0 9
  173.920 55000.0 4
  174.240 30000.0 2
  174.800 10000.0 1
  175.200 10000.0 1
  175.840 10000.0 1
  183.103 787500.0 51
  183.840 20000.0 1
  184.000 17500.0 1
  184.240 12500.0 1
  185.125 170000.0 11
  197.167 35000.0 2
  205.248 15000.0 1
  205.440 12500.0 1
  219.120 12500.0 1
  222.240 17500.0 1
  223.140 40000.0 3
  227.344 20000.0 1
  231.360 10000.0 1
  233.229 447500.0 29
  238.080 15000.0 1
  241.120 20000.0 1
  249.360 12500.0 1
  251.319 147500.0 10
  259.198 312500.0 20
  259.520 17500.0 1
  267.322 55000.0 4
  275.191 147500.0 10
  277.173 15315000.0 999
  277.929 52500.0 3
  278.160 22500.0 1
  278.540 15000.0 1
  293.147 240000.0 16
  295.164 5312500.0 347
  295.840 12500.0 1
  296.400 17500.0 1
//