ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009446
RECORD_TITLE: ACETYLEUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ACETYLEUGENOL
CH$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$SPLASH: splash10-03di-4900000000-67c6396f6b356ed19199
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  40 1 10
  41 1.5 15
  43 3.5 35
  50 3.5 35
  51 11.5 115
  52 2.5 25
  53 1.5 15
  55 25.5 255
  59 1 10
  63 6 60
  64 1.5 15
  65 10 100
  66 1 10
  67 1.5 15
  70 1.5 15
  76 1 10
  77 30 300
  78 4 40
  79 5.5 55
  81 1 10
  82 3 30
  91 23.5 235
  92 2.5 25
  93 5.5 55
  94 1 10
  102 1.5 15
  103 24.5 245
  104 10 100
  105 5.5 55
  107 3 30
  110 2.5 25
  119 1 10
  120 1 10
  121 11.5 115
  122 3 30
  131 21.5 215
  132 4 40
  133 14 140
  134 2 20
  137 7.5 75
  147 1.5 15
  148 1 10
  149 39.9 399
  150 3 30
  163 3.5 35
  164 99.99 999
  165 11.5 115
  166 1.5 15
//