ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY YLCRSEPRBRMYQY-UHFFFAOYSA-N
AC$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
//
