ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010205
RECORD_TITLE: 5-HYDROXY-1,5-DIPHENYL-1-PENTEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-HYDROXY-1,5-DIPHENYL-1-PENTEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆O₂
CH$EXACT_MASS: 252.11503
CH$SMILES: O=C(C=Cc(c2)cccc2)CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H16O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-12,17,19H,13H2/b12-11+
CH$LINK: INCHIKEY VEDSJBNQWQAJJE-VAWYXSNFSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ufr-4910000000-2a5736f0dba2d935ee35
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  32 15.42 154
  39 9.79 98
  43 11.76 118
  51 10.26 103
  52 32.24 322
  53 7.95 80
  76 7.93 79
  77 99.99 999
  78 20.96 210
  79 32.86 329
  91 20.83 208
  102 15.5 155
  103 76.55 766
  104 33.24 332
  105 99.94 999
  106 22.69 227
  107 16.26 163
  116 12.77 128
  117 16.89 169
  120 67.88 679
  127 8.54 85
  131 95.41 954
  132 15.2 152
  133 8.94 89
  145 34.41 344
  146 31.3 313
  148 11.84 118
  252 58.56 586
  253 11.24 112
//