ACCESSION: MSBNK-Chubu_Univ-UT000231
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:35 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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V
AC$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$SPLASH: splash10-00b9-0590000000-856d1850ada270751471
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  96.960 15000.0 3
  111.200 5000.0 1
  122.940 7500.0 2
  123.200 5000.0 1
  125.083 75000.0 16
  127.064 20000.0 4
  139.120 10000.0 2
  139.360 5000.0 1
  140.960 7500.0 2
  141.120 20000.0 4
  150.960 10000.0 2
  151.120 25000.0 5
  153.064 92500.0 20
  153.360 5000.0 1
  155.048 57500.0 12
  165.200 5000.0 1
  167.120 7500.0 2
  170.560 15000.0 3
  171.089 3037500.0 641
  171.840 5000.0 1
  172.080 10000.0 2
  172.480 7500.0 2
  183.112 430000.0 91
  185.040 35000.0 7
  190.880 5000.0 1
  205.173 40000.0 8
  213.200 10000.0 2
  217.280 7500.0 2
  219.120 7500.0 2
  220.080 5000.0 1
  221.040 17500.0 4
  222.227 12500.0 3
  223.120 17500.0 4
  227.120 17500.0 4
  227.280 10000.0 2
  233.181 132500.0 28
  238.160 7500.0 2
  241.280 7500.0 2
  251.120 20000.0 4
  251.360 12500.0 3
  257.200 15000.0 3
  258.960 15000.0 3
  259.242 112500.0 24
  265.200 7500.0 2
  267.227 10000.0 2
  275.173 75000.0 16
  277.155 4735000.0 999
  277.840 7500.0 2
  278.320 10000.0 2
  293.230 87500.0 18
  295.164 797500.0 168
//