ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008616
RECORD_TITLE: ISOPROPYL P-METHOXYSTYRYL KETONE; 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$NAME: ISOPROPYL P-METHOXYSTYRYL KETONE
CH$NAME: 5-(4-METHOXYPHENYL)-2-METHYL-4-PENTEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₂
CH$EXACT_MASS: 204.11503
CH$SMILES: COc(c1)ccc(C=CC(=O)C(C)C)c1
CH$IUPAC: InChI=1S/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
CH$LINK: INCHIKEY ZIXVMEYRFPMOAV-RMKNXTFCSA-N

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$SPLASH: splash10-03di-4900000000-d7d829dc70b2b49b3982
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.65 17
  27 6 60
  39 4.64 46
  41 5.65 57
  43 4.66 47
  50 1.36 14
  51 2.85 29
  53 1.03 10
  62 1.22 12
  63 4.52 45
  64 3.14 31
  65 1.43 14
  75 1.31 13
  76 1.62 16
  77 6.33 63
  79 2.61 26
  89 6.42 64
  90 7.22 72
  91 1.53 15
  92 2.82 28
  101 1.05 11
  102 2.8 28
  103 3 30
  117 1.19 12
  118 6.15 62
  133 20.99 210
  134 1.77 18
  161 99.99 999
  162 10.45 105
  204 7.54 75
  205 1.13 11
//