MassBank Record: UT000101



 15-HEPE; LC-ESI-QIT; MS2; CE:15 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000101
RECORD_TITLE: 15-HEPE; 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$NAME: 15-HEPE CH$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 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$SPLASH: splash10-014i-0039000000-113c8ba746a514aabbf1 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 147.120 12500.0 1 163.206 165625.0 11 175.161 715625.0 46 175.680 9375.0 1 176.000 9375.0 1 176.160 12500.0 1 176.480 18750.0 1 177.200 9375.0 1 181.120 9375.0 1 201.147 59375.0 4 202.880 9375.0 1 203.175 134375.0 9 205.250 50000.0 3 219.186 900000.0 58 219.840 18750.0 1 220.160 9375.0 1 221.187 21875.0 1 229.280 15625.0 1 247.182 243750.0 16 248.153 143750.0 9 254.800 9375.0 1 255.228 3187500.0 205 255.740 18750.0 1 256.010 31250.0 2 256.720 9375.0 1 273.236 146875.0 9 299.215 1346875.0 87 299.920 21875.0 1 300.260 9375.0 1 317.133 15531250.0 999 317.920 12500.0 1 318.560 12500.0 1 //