ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000745
RECORD_TITLE: ACETYL EUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ACETYL EUGENOL
CH$NAME: 4-ALLYL-2-METHOXYPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₃
CH$EXACT_MASS: 206.09429
CH$SMILES: C=CCc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
CH$LINK: INCHIKEY SCCDQYPEOIRVGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5052624

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03dl-5900000000-07dccf5db214bbe5da36
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  39 11 110
  40 2 20
  41 5 50
  42 0.3 3
  43 28 280
  44 1 10
  50 3 30
  51 0.9 9
  52 4 40
  53 5 50
  55 9 90
  62 0.1 1
  63 5 50
  64 2 20
  65 10 100
  66 0.4 4
  67 1 10
  75 1 10
  76 1 10
  77 1.6 16
  78 6 60
  79 7 70
  81 1 10
  89 0.3 3
  90 2 20
  91 22 220
  92 4 40
  93 0.4 4
  94 4 40
  95 1 10
  102 2 20
  103 1.8 18
  104 13 130
  105 8 80
  106 2 20
  107 0.4 4
  109 1 10
  115 3 30
  116 1 10
  117 0.1 1
  119 2 20
  120 1 10
  121 13 130
  122 0.3 3
  131 15 150
  132 9 90
  133 13 130
  134 0.2 2
  135 3 30
  137 11 110
  138 1 10
  147 0.4 4
  149 26 260
  150 3 30
  163 5 50
  164 99.99 999
  165 12 120
  166 1 10
  206 5 50
//