ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008613
RECORD_TITLE: ANISYLACETONE; 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$NAME: ANISYLACETONE
CH$NAME: 4-(4-METHOXYPHENYL)-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: COc(c1)ccc(CCC(C)=O)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY PCBSXBYCASFXTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047166

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$SPLASH: splash10-00di-5900000000-47c1f7655edcdfde74c6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  27 2.34 23
  39 4.36 44
  41 1.79 18
  42 1.41 14
  43 28.19 282
  50 1.69 17
  51 4.09 41
  52 2.29 23
  53 1.23 12
  55 2.34 23
  63 3 30
  64 1.8 18
  65 5.07 51
  77 8.04 80
  78 5.95 60
  79 2.68 27
  89 1.96 20
  90 1.17 12
  91 8.85 89
  92 2.37 24
  103 2.63 26
  105 3.13 31
  108 8.12 81
  119 1.65 17
  120 1.64 16
  121 99.99 999
  122 7.33 73
  134 1.4 14
  135 5.93 59
  163 2.6 26
  178 28.34 283
  179 2.98 30
//