ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000747
RECORD_TITLE: METHYL 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$NAME: METHYL EUGENOL
CH$NAME: 1-ALLYL-3,4-DIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: C=CCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
CH$LINK: INCHIKEY ZYEMGPIYFIJGTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025607

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$SPLASH: splash10-004i-6900000000-24e258249ebb81a10db8
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  39 20 200
  40 2 20
  41 14 140
  42 0.1 1
  43 3 30
  44 1 10
  45 2 20
  50 0.9 9
  51 21 210
  52 7 70
  53 8 80
  54 0.1 1
  55 7 70
  57 4 40
  62 6 60
  63 1.5 15
  64 6 60
  65 22 220
  66 6 60
  67 0.2 2
  68 1 10
  74 4 40
  75 5 50
  76 0.4 4
  77 26 260
  78 12 120
  79 22 220
  80 0.3 3
  89 8 80
  90 6 60
  91 50 500
  92 1.2 12
  93 3 30
  94 1.5 15
  95 4 40
  101 0.1 1
  102 4 40
  103 39 390
  104 9 90
  105 1.9 19
  106 6 60
  107 28 280
  108 4 40
  109 0.1 1
  115 12 120
  116 4 40
  117 7 70
  118 0.3 3
  119 6 60
  120 8 80
  121 4 40
  122 0.3 3
  123 1 10
  131 8 80
  132 4 40
  133 0.4 4
  134 1 10
  135 18 180
  136 2 20
  145 0.1 1
  146 4 40
  147 32 320
  148 5 50
  149 0.3 3
  150 1 10
  151 15 150
  152 2 20
  161 0.2 2
  162 3 30
  163 33 330
  164 5 50
  165 0.2 2
  166 3 30
  177 4 40
  178 99.99 999
  179 13 130
//