ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009451
RECORD_TITLE: METHYLISOEUGENOL; 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$NAME: METHYLISOEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CC=Cc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
CH$LINK: INCHIKEY NNWHUJCUHAELCL-SNAWJCMRSA-N

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$SPLASH: splash10-004i-5900000000-79e4262361360bb052d7
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  40 3 30
  41 9 90
  42 1 10
  43 2 20
  50 7 70
  51 14.5 145
  52 3.5 35
  53 7 70
  54 1 10
  55 5 50
  57 7 70
  62 6 60
  63 12.5 125
  64 4 40
  65 14 140
  66 4 40
  67 2 20
  68 1 10
  69 2 20
  74 4 40
  75 2 20
  76 5.5 55
  77 15.5 155
  78 7.5 75
  79 16.5 165
  80 2 20
  89 8 80
  90 4 40
  91 39.5 395
  92 8.5 85
  93 2 20
  94 2 20
  95 5.5 55
  102 5.5 55
  103 28 280
  104 7 70
  105 13 130
  106 2 20
  107 39 390
  108 4 40
  109 1.5 15
  115 13 130
  116 3 30
  117 6.5 65
  118 2.5 25
  119 7 70
  120 6 60
  121 2 20
  131 6.5 65
  132 2 20
  133 4 40
  134 1 10
  135 17 170
  136 2 20
  145 2 20
  146 3 30
  147 11 110
  148 2 20
  149 2 20
  150 1 10
  151 4 40
  161 1 10
  162 3 30
  163 43.5 435
  164 6 60
  165 2.5 25
  166 2.5 25
  177 3 30
  178 99.99 999
  179 12.5 125
  180 2 20
//