MassBank Record: UT000109



 15-HETE; LC-ESI-QIT; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000109
RECORD_TITLE: 15-HETE; LC-ESI-QIT; MS2; CE:20 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$NAME: 15-HETE CH$NAME: 15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid CH$NAME: (5Z,8Z,11Z,14Z)-15-Hydroxy-5,8,11,14-icosatetraenoic acid CH$NAME: 15(S)-HETE CH$NAME: (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate CH$NAME: (15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate CH$NAME: (5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C20H32O3 CH$EXACT_MASS: 320.23514 CH$SMILES: CCCCCC(O)C=CC=CCC=CCC=CCCCC(O)=O CH$IUPAC: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1 CH$LINK: CAS 54845-95-3 CH$LINK: CAYMAN 34720 CH$LINK: CHEBI 15558 CH$LINK: KEGG C04742 CH$LINK: LIPIDBANK DFA8140 CH$LINK: NIKKAJI J246.650C CH$LINK: PUBCHEM 7313
AC$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 20 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$SPLASH: splash10-014i-0269000000-6b7e052cfd2bb97562de PK$NUM_PEAK: 94 PK$PEAK: m/z int. rel.int. 99.040 16666.7 1 113.187 79166.7 4 121.120 25000.0 1 143.280 16666.7 1 149.280 50000.0 3 153.120 12500.0 1 155.040 25000.0 1 161.200 37500.0 2 163.258 137500.0 7 165.360 25000.0 1 173.600 12500.0 1 174.560 20833.3 1 175.314 4795833.3 260 175.857 154166.7 8 176.318 570833.3 31 176.686 70833.3 4 177.225 308333.3 17 177.600 45833.3 2 178.032 45833.3 2 178.433 62500.0 3 178.720 29166.7 2 179.120 25000.0 1 179.380 20833.3 1 179.640 20833.3 1 179.840 12500.0 1 181.248 45833.3 2 181.520 25000.0 1 183.080 66666.7 4 183.440 62500.0 3 184.200 41666.7 2 185.200 16666.7 1 191.440 41666.7 2 193.232 66666.7 4 193.440 100000.0 5 201.305 116666.7 6 202.640 12500.0 1 202.800 16666.7 1 203.210 745833.3 40 203.360 387500.0 21 203.562 112500.0 6 203.987 25000.0 1 205.322 362500.0 20 206.120 20833.3 1 206.800 12500.0 1 207.120 20833.3 1 207.280 12500.0 1 216.160 12500.0 1 219.292 3579166.7 194 219.937 333333.3 18 220.608 200000.0 11 221.374 212500.0 12 221.680 16666.7 1 221.980 16666.7 1 223.213 20833.3 1 223.507 79166.7 4 223.920 12500.0 1 224.240 16666.7 1 232.560 12500.0 1 233.200 12500.0 1 241.600 20833.3 1 245.550 29166.7 2 256.592 25000.0 1 257.409 10137500.0 549 258.035 779166.7 42 258.336 595833.3 32 258.720 341666.7 19 259.347 20833.3 1 259.520 29166.7 2 259.920 16666.7 1 261.120 12500.0 1 271.360 20833.3 1 273.440 25000.0 1 274.080 41666.7 2 274.240 12500.0 1 275.409 1170833.3 63 276.000 16666.7 1 276.446 37500.0 2 276.560 37500.0 2 283.040 58333.3 3 283.343 100000.0 5 283.680 12500.0 1 301.346 8725000.0 473 302.003 425000.0 23 302.240 154166.7 8 302.680 137500.0 7 303.013 16666.7 1 303.520 16666.7 1 303.840 12500.0 1 317.120 25000.0 1 317.316 87500.0 5 317.600 12500.0 1 319.170 18445833.3 999 320.360 41666.7 2 320.960 20833.3 1 //