MassBank Record: MSBNK-Chubu_Univ-UT000229
ACCESSION: MSBNK-Chubu_Univ-UT000229
RECORD_TITLE: 9,10-EODE; LC-ESI-QIT; MS2; CE:25 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 25 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$SPLASH: splash10-004j-0290000000-4ad7029c569521a62f31
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
97.100 12500.0 1
125.107 77500.0 3
139.120 15000.0 1
139.360 17500.0 1
141.200 30000.0 1
151.229 42500.0 2
152.960 117500.0 5
153.234 70000.0 3
155.210 25000.0 1
155.520 15000.0 1
169.600 17500.0 1
170.240 27500.0 1
171.169 10825000.0 466
171.837 135000.0 6
172.072 375000.0 16
172.340 660000.0 28
172.558 350000.0 15
172.805 125000.0 5
173.199 385000.0 17
173.760 50000.0 2
173.933 120000.0 5
174.297 25000.0 1
174.560 47500.0 2
174.807 132500.0 6
175.200 35000.0 2
175.360 60000.0 3
175.624 52500.0 2
176.120 12500.0 1
176.480 12500.0 1
176.880 30000.0 1
177.171 50000.0 2
178.053 27500.0 1
178.720 12500.0 1
179.440 17500.0 1
180.160 37500.0 2
181.360 15000.0 1
181.680 15000.0 1
183.191 647500.0 28
183.760 20000.0 1
184.320 12500.0 1
185.164 57500.0 2
187.360 12500.0 1
205.120 15000.0 1
221.280 15000.0 1
223.280 17500.0 1
227.208 35000.0 2
233.292 737500.0 32
234.880 15000.0 1
249.600 15000.0 1
251.354 227500.0 10
259.314 262500.0 11
267.347 40000.0 2
275.320 97500.0 4
277.230 23215000.0 999
277.945 1045000.0 45
278.254 887500.0 38
278.583 495000.0 21
278.800 257500.0 11
279.025 172500.0 7
279.200 105000.0 5
293.214 205000.0 9
295.158 18302500.0 788
295.980 60000.0 3
296.280 15000.0 1
//
system version 2.2.6-SNAPSHOT