MassBank Record: UT000111



 15-HETE; LC-ESI-QIT; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000111
RECORD_TITLE: 15-HETE; 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$NAME: 15-HETE CH$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 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$SPLASH: splash10-0pvi-0395000000-5aefff1d8848add1df10 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 55.920 8333.3 2 97.120 8333.3 2 99.080 16666.7 4 99.280 16666.7 4 107.120 8333.3 2 113.080 175000.0 37 139.142 100000.0 21 141.040 12500.0 3 146.880 20833.3 4 147.200 25000.0 5 149.040 58333.3 12 157.120 8333.3 2 158.960 20833.3 4 161.120 16666.7 4 161.440 8333.3 2 162.850 33333.3 7 163.114 91666.7 20 167.120 66666.7 14 173.120 16666.7 4 175.146 1683333.3 360 177.120 170833.3 37 181.120 33333.3 7 183.110 41666.7 9 183.440 8333.3 2 185.040 25000.0 5 189.175 158333.3 34 191.120 75000.0 16 193.132 100000.0 21 195.140 45833.3 10 199.147 58333.3 12 201.065 275000.0 59 201.200 100000.0 21 201.520 8333.3 2 203.198 879166.7 188 205.177 66666.7 14 206.000 8333.3 2 215.171 70833.3 15 215.360 12500.0 3 217.128 50000.0 11 219.139 808333.3 173 221.135 404166.7 86 223.160 162500.0 35 229.200 275000.0 59 231.120 16666.7 4 245.160 75000.0 16 247.280 16666.7 4 255.100 16666.7 4 255.440 8333.3 2 257.206 4670833.3 999 265.040 29166.7 6 273.084 87500.0 19 275.188 562500.0 120 275.660 12500.0 3 283.186 295833.3 63 301.154 3000000.0 642 316.960 25000.0 5 319.153 2691666.7 576 //