ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008615
RECORD_TITLE: ALPHA-METHYLANISALACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-METHYLANISALACETONE
CH$NAME: 5-(4-METHOXYPHENYL)-4-PENTEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₂
CH$EXACT_MASS: 190.09938
CH$SMILES: CCC(=O)C=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+
CH$LINK: INCHIKEY SLDQOBRACOQXGE-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID00231670

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-03di-3900000000-9e477ebf4e87fe2634e2
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 2.02 20
  26 1.16 12
  27 5.54 55
  29 5.27 53
  38 1.19 12
  39 3.01 30
  44 1.82 18
  50 1.9 19
  51 3.13 31
  53 1.06 11
  55 2.01 20
  57 1.9 19
  62 1.8 18
  63 6.18 62
  64 3.32 33
  65 1.43 14
  75 1.77 18
  76 1.74 17
  77 7.19 72
  78 1.39 14
  79 2.16 22
  89 7.96 80
  90 8.07 81
  91 2.32 23
  92 3.74 37
  101 1.14 11
  102 3.16 32
  103 3.84 38
  108 1.1 11
  115 1.76 18
  117 1.73 17
  118 7.1 71
  119 1.33 13
  132 1.01 10
  133 29.08 291
  134 2.67 27
  146 1.22 12
  157 1.72 17
  159 1.07 11
  161 99.99 999
  162 8.55 86
  173 1.53 15
  187 2.38 24
  188 3.9 39
  189 1.39 14
  190 19.26 193
  191 2.01 20
//