ACCESSION: MSBNK-Chubu_Univ-UT000228
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
AC$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$SPLASH: splash10-002b-0290000000-e877a105893043cd9fe2
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  153.251 70000.0 2
  170.407 55000.0 2
  170.741 322500.0 10
  171.194 8557500.0 259
  171.840 122500.0 4
  172.282 1150000.0 35
  172.940 455000.0 14
  173.120 315000.0 10
  173.461 247500.0 7
  173.930 105000.0 3
  174.360 160000.0 5
  175.234 52500.0 2
  175.716 45000.0 1
  176.240 25000.0 1
  177.200 20000.0 1
  177.560 47500.0 1
  177.893 17500.0 1
  179.040 25000.0 1
  179.342 57500.0 2
  179.616 30000.0 1
  180.189 37500.0 1
  180.480 20000.0 1
  181.360 45000.0 1
  182.560 17500.0 1
  183.180 287500.0 9
  183.495 52500.0 2
  185.040 17500.0 1
  185.387 17500.0 1
  223.280 17500.0 1
  227.240 20000.0 1
  233.381 480000.0 15
  233.760 35000.0 1
  234.267 17500.0 1
  251.360 17500.0 1
  259.360 20000.0 1
  275.352 47500.0 1
  277.316 17832500.0 540
  278.061 1465000.0 44
  278.380 1005000.0 30
  278.677 602500.0 18
  278.960 172500.0 5
  279.520 32500.0 1
  279.870 52500.0 2
  280.080 77500.0 2
  280.240 32500.0 1
  280.400 32500.0 1
  280.893 37500.0 1
  293.337 75000.0 2
  293.625 27500.0 1
  294.382 25000.0 1
  295.164 32975000.0 999
  296.083 350000.0 11
  296.640 45000.0 1
//