ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000748
RECORD_TITLE: TRIDEUTEROMETHYL 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$NAME: TRIDEUTEROMETHYL EUGENOL
CH$NAME: 1-ALLYL-3-METHOXY-4-(2H(3))METHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: C=CCc(c1)cc(OC)c(OC([2H])([2H])[2H])c1
CH$IUPAC: InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3/i2D3
CH$LINK: INCHIKEY ZYEMGPIYFIJGTP-BMSJAHLVSA-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$SPLASH: splash10-001i-6900000000-7eab85ab8f89486d0c67
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  50 15 150
  51 27 270
  52 9 90
  55 1.4 14
  56 3 30
  57 6 60
  63 14 140
  64 0.5 5
  65 21 210
  66 10 100
  75 20 200
  76 1.1 11
  77 41 410
  78 17 170
  79 24 240
  89 0.1 1
  90 8 80
  91 52 520
  92 18 180
  93 0.6 6
  95 6 60
  103 48 480
  104 10 100
  105 0.5 5
  106 10 100
  107 35 350
  108 2 20
  109 0.2 2
  115 10 100
  116 12 120
  117 8 80
  118 0.1 1
  119 7 70
  120 13 130
  121 1.5 15
  129 0.15 2
  131 22 220
  132 6 60
  134 1 10
  135 1.4 14
  136 1 10
  138 1.5 15
  146 5 50
  147 3.1 31
  148 1 10
  149 7 70
  152 1 10
  153 0.5 5
  163 45 450
  164 3 30
  166 7 70
  179 0.6 6
  180 53 530
  181 99.99 999
  182 1 10
//