MassBank Record: MSBNK-Chubu_Univ-UT000232
ACCESSION: MSBNK-Chubu_Univ-UT000232
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:40 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 40 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$SPLASH: splash10-00fr-0950000000-7d5902f3ba7712883d20
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
95.040 7500.0 7
124.960 12500.0 12
127.040 10000.0 9
127.280 5000.0 5
150.880 7500.0 7
151.160 10000.0 9
153.120 37500.0 35
155.120 12500.0 12
170.640 12500.0 12
171.077 1080000.0 999
183.056 185000.0 171
185.040 7500.0 7
187.040 5000.0 5
219.040 7500.0 7
221.040 10000.0 9
222.144 27500.0 25
223.200 12500.0 12
233.120 10000.0 9
241.120 5000.0 5
257.120 5000.0 5
259.200 35000.0 32
277.143 610000.0 564
277.440 47500.0 44
293.120 5000.0 5
295.075 47500.0 44
//