ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009443
RECORD_TITLE: METHYLEUGENOL; 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$NAME: METHYLEUGENOL
CH$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$SPLASH: splash10-004i-6900000000-6e7986f7be4dcc512bf5
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  40 14 140
  41 1 10
  42 3 30
  43 1 10
  44 3 30
  50 9 90
  51 21.5 215
  52 7.5 75
  53 8 80
  54 1 10
  55 7 70
  57 4 40
  62 6.5 65
  63 15.5 155
  64 6 60
  65 23.5 235
  66 6 60
  67 3.5 35
  68 2 20
  74 4 40
  75 4.5 45
  76 4 40
  77 25 250
  78 12.5 125
  79 22.5 225
  80 3.5 35
  89 8 80
  90 6 60
  91 50.5 505
  92 12.5 125
  93 3 30
  94 2 20
  95 4.5 45
  101 1 10
  102 4 40
  103 39 390
  104 9 90
  105 19.5 195
  106 6 60
  107 27.5 275
  108 4 40
  109 1 10
  115 12.5 125
  116 4.5 45
  117 7 70
  118 3 30
  119 6 60
  120 8 80
  121 4 40
  122 2 20
  123 1.5 15
  131 8 80
  132 4.5 45
  133 4.5 45
  134 1.5 15
  135 18 180
  136 2.5 25
  145 1 10
  146 4 40
  147 32 320
  148 5 50
  149 3.5 35
  150 1 10
  151 15.5 155
  152 2 20
  161 2.5 25
  162 3.5 35
  163 33 330
  164 5 50
  165 2 20
  166 3 30
  177 4.5 45
  178 99.99 999
  179 12.5 125
//