ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006385
RECORD_TITLE: ISOEUGENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOEUGENYL ACETATE
CH$NAME: 4-(1-PROPENYL)-2-METHOXYPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₃
CH$EXACT_MASS: 206.09429
CH$SMILES: CC=Cc(c1)cc(OC)c(OC(C)=O)c1
CH$IUPAC: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
CH$LINK: INCHIKEY IUSBVFZKQJGVEP-SNAWJCMRSA-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$SPLASH: splash10-03di-5900000000-b016880787407ead4e15
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 3.51 35
  18 2.61 26
  27 1.62 16
  39 5.03 50
  40 1.31 13
  41 2.08 21
  42 1.27 13
  43 22.79 228
  50 1.79 18
  51 4.14 41
  52 1.75 18
  53 2.28 23
  55 5.65 57
  63 3.12 31
  64 1.17 12
  65 5.36 54
  66 1.78 18
  77 10.04 100
  78 2.75 28
  79 3.61 36
  89 1.71 17
  91 14.72 147
  92 1.94 19
  93 1.46 15
  102 1.01 10
  103 9 90
  104 5.93 59
  105 2.92 29
  107 3.32 33
  115 2.02 20
  121 5.25 53
  131 9.14 91
  132 2.57 26
  133 6.32 63
  137 1.86 19
  147 1.55 16
  149 17.14 171
  150 1.73 17
  163 3.16 32
  164 99.99 999
  165 10.22 102
  206 9.59 96
  207 1.31 13
//