MassBank Record: UT000244



 9-HOTrE; LC-ESI-QIT; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000244
RECORD_TITLE: 9-HOTrE; LC-ESI-QIT; MS2; CE:10 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$NAME: 9-HOTrE CH$NAME: 9S-hydroxy-10E,12Z,15Z-octadecatrienoic acid CH$NAME: 9(S)-HOTrE CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C18H30O3 CH$EXACT_MASS: 294.21949 CH$SMILES: CCC=CCC=CC=CC(O)CCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1 CH$LINK: CAS 89886-42-0 CH$LINK: CAYMAN 39420
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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V AC$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: splash10-0006-0090000000-9477436e486fbb932fee PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 171.171 1328125.0 52 171.750 21875.0 1 172.080 28125.0 1 172.240 25000.0 1 172.573 31250.0 1 173.120 28125.0 1 173.787 21875.0 1 177.280 15625.0 1 221.235 325000.0 13 222.240 15625.0 1 222.800 25000.0 1 231.266 1300000.0 51 231.950 15625.0 1 232.240 18750.0 1 232.733 15625.0 1 236.178 918750.0 36 236.720 15625.0 1 237.280 25000.0 1 275.254 9465625.0 373 275.948 187500.0 7 276.247 259375.0 10 276.580 115625.0 5 276.860 28125.0 1 277.200 15625.0 1 293.146 25340625.0 999 293.939 71875.0 3 294.140 18750.0 1 //