ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010202
RECORD_TITLE: 6,6-DIETHOXY-5-HYDROXY-1-PHENYL-1-HEXEN-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$NAME: 6,6-DIETHOXY-5-HYDROXY-1-PHENYL-1-HEXEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₄
CH$EXACT_MASS: 278.15181
CH$SMILES: CCOC(OCC)C(O)CC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H22O4/c1-3-19-16(20-4-2)15(18)12-14(17)11-10-13-8-6-5-7-9-13/h5-11,15-16,18H,3-4,12H2,1-2H3/b11-10+
CH$LINK: INCHIKEY XRVSYOZKHXIBPW-ZHACJKMWSA-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$SPLASH: splash10-0ufr-6900000000-57ebdf8fa5219d2c63ba
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  31 5.74 57
  43 5.2 52
  46 5.2 52
  48 45.42 454
  52 7.51 75
  75 39.92 399
  76 4.41 44
  77 29.83 298
  91 5.4 54
  102 10.33 103
  103 99.99 999
  104 10.86 109
  116 5.03 50
  128 4.46 45
  129 4.87 49
  131 41.76 418
  132 6.97 70
  133 1.1 11
  141 1.19 12
  145 4.82 48
  146 4.45 45
  149 1.01 10
  157 1.21 12
  158 1.09 11
  161 1.22 12
  232 3.71 37
  233 3.74 37
//