ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009444
RECORD_TITLE: TRIDEUTEROMETHYLEUGENOL(D3); 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$NAME: TRIDEUTEROMETHYLEUGENOL(D3)
CH$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$SPLASH: splash10-001l-6900000000-0b489e050538331d3090
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  40 4.5 45
  41 24 240
  42 4 40
  43 16 160
  44 2.5 25
  45 4 40
  46 1.5 15
  47 3 30
  50 9 90
  51 25 250
  52 8.5 85
  53 8.5 85
  54 1.5 15
  55 11.5 115
  56 1.5 15
  57 3 30
  58 1 10
  59 2 20
  60 3.5 35
  61 1.5 15
  62 7 70
  63 15.5 155
  64 7.5 75
  65 27.5 275
  66 8 80
  67 3 30
  68 1.5 15
  69 2.5 25
  74 4.5 45
  75 3.5 35
  76 4.5 45
  77 26.5 265
  78 16.5 165
  79 25.5 255
  80 7 70
  81 3.5 35
  82 2.5 25
  83 1.5 15
  86 1.5 15
  87 1.5 15
  88 1 10
  89 9.5 95
  90 8 80
  91 57.5 575
  92 17.5 175
  93 6.5 65
  94 4 40
  95 4 40
  96 1.5 15
  97 1 10
  101 1.5 15
  102 4 40
  103 53.5 535
  104 14 140
  105 21.5 215
  106 10.5 105
  107 29 290
  108 7 70
  109 6.5 65
  110 5 50
  111 2.5 25
  114 1 10
  115 12.5 125
  116 8.5 85
  117 8.5 85
  118 6.5 65
  119 9.5 95
  120 11.5 115
  121 3 30
  122 1.5 15
  123 1.5 15
  124 1.5 15
  131 12.5 125
  132 5.5 55
  133 4.5 45
  134 2.5 25
  135 1.5 15
  136 4 40
  137 4.5 45
  138 8.5 85
  139 2 20
  145 1 10
  146 3.5 35
  147 23.5 235
  148 7.5 75
  149 12 120
  150 17.5 175
  151 3.5 35
  152 3 30
  153 7 70
  154 13.5 135
  155 1.5 15
  161 1.5 15
  162 1.5 15
  163 3.5 35
  164 7.5 75
  165 7.5 75
  166 12 120
  167 2.5 25
  168 1 10
  178 3.5 35
  179 12.5 125
  180 57.5 575
  181 99.99 999
  182 12.5 125
//