MassBank Record: MSBNK-Chubu_Univ-UT000227
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
//