ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007378
RECORD_TITLE: 4-PHENYL-3-BUTEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-PHENYL-3-BUTEN-2-ONE
CH$NAME: BENZYLIDENEACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O
CH$EXACT_MASS: 146.07316
CH$SMILES: CC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
CH$LINK: CAS 5876-76-6
CH$LINK: INCHIKEY BWHOZHOGCMHOBV-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID1031626

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f7k-4900000000-8295a2d505aa2a9f77ce
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 4.54 45
  27 3.12 31
  28 2 20
  38 2 20
  39 6.19 62
  43 25.34 253
  50 9.55 96
  51 28.95 290
  51.5 4.66 47
  52 4.18 42
  53 1.24 12
  57.5 1.24 12
  58 2.06 21
  62 2.77 28
  63 6.78 68
  64 1.06 11
  65 1.77 18
  65.5 3.83 38
  73 1.65 17
  74 4.65 47
  75 4.88 49
  76 5.9 59
  77 42.52 425
  78 4.18 42
  82 1.18 12
  89 1.23 12
  91 2.3 23
  101 1.83 18
  102 9.73 97
  103 80.5 805
  104 8.2 82
  105 1.06 11
  115 3.24 32
  117 2.48 25
  131 99.99 999
  132 10.26 103
  144 1.18 12
  145 42.17 422
  146 74.13 741
  147 8.26 83
//