MassBank Record: UT000104



 15-HEPE; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UT000104
RECORD_TITLE: 15-HEPE; LC-ESI-QIT; MS2; CE:30 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$NAME: 15-HEPE CH$NAME: 15-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid CH$NAME: (5Z,8Z,11Z,14Z,17Z)-15-Hydroxy-5,8,11,14,17-icosapentaenoic acid CH$NAME: (+-)15-HEPE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H30O3 CH$EXACT_MASS: 318.21949 CH$SMILES: CCC=CCC(O)C=CC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1 CH$LINK: CAS 88852-33-9 CH$LINK: CAYMAN 32700 CH$LINK: LIPIDBANK DFA8126 CH$LINK: NIKKAJI J1.881.939B
AC$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 30 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$SPLASH: splash10-014i-0396000000-2798ccb021d4d2b7bf2f PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 111.120 9375.0 15 121.040 21875.0 34 147.360 9375.0 15 149.360 9375.0 15 161.100 9375.0 15 163.040 15625.0 24 173.120 18750.0 29 175.111 215625.0 335 177.120 9375.0 15 190.960 9375.0 15 191.120 9375.0 15 201.133 78125.0 121 203.200 21875.0 34 218.960 28125.0 44 219.178 78125.0 121 221.016 34375.0 53 229.040 12500.0 19 245.120 6250.0 10 247.088 96875.0 150 255.193 278125.0 432 255.440 18750.0 29 273.040 28125.0 44 281.120 28125.0 44 289.280 6250.0 10 299.112 131250.0 204 317.157 643750.0 999 //