ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005630
RECORD_TITLE: EUGENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: EUGENYL ACETATE
CH$NAME: 2-METHOXY-4-(2-PROPENYL)PHENYL 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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-1900000000-9c3ff0de59c85e8294b0
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.14 11
  29 1.02 10
  41 1.26 13
  43 11.28 113
  55 8.64 86
  77 6.98 70
  78 1.02 10
  79 3.12 31
  91 5.54 55
  92 1.08 11
  93 2.22 22
  103 10.46 105
  104 9.12 91
  105 3.82 38
  106 3.02 30
  107 3.78 38
  121 8.98 90
  131 12.88 129
  132 3.99 40
  133 8.06 81
  134 1.02 10
  135 5.52 55
  136 1 10
  137 2.79 28
  147 1.1 11
  149 22.3 223
  150 2.72 27
  163 3.66 37
  164 99.99 999
  165 12.8 128
  206 9.68 97
//