MassBank Record: JP000551



 1-(2-HYDROXY-5-METHOXYPHENYL)-5-PHENYL-1,3-PENTANEDIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000551
RECORD_TITLE: 1-(2-HYDROXY-5-METHOXYPHENYL)-5-PHENYL-1,3-PENTANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1-(2-HYDROXY-5-METHOXYPHENYL)-5-PHENYL-1,3-PENTANEDIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18O4 CH$EXACT_MASS: 298.12051 CH$SMILES: COc(c2)cc(c(O)c2)C(=O)CC(=O)CCc(c1)cccc1 CH$IUPAC: InChI=1S/C18H18O4/c1-22-15-9-10-17(20)16(12-15)18(21)11-14(19)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,20H,7-8,11H2,1H3
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014j-0940000000-b333fc0d5a8a3809b2c8 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 28 1.12 11 43 1.07 11 91 12.74 127 92 1.18 12 105 14.27 143 106 1.42 14 107 1.06 11 109 1.29 13 122 1.17 12 123 1.06 11 125 1.81 18 133 1.92 19 137 1.26 13 148 2.17 22 150 9.29 93 151 36.36 364 152 5.39 54 166 99.99 999 167 10.22 102 168 1.69 17 193 42.07 421 194 4.55 46 196 1.07 11 206 1.09 11 280 5.92 59 281 2.85 29 298 89.38 894 299 18.35 184 300 2.67 27 //