ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009442
RECORD_TITLE: EUGENOL; 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$NAME: EUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: C=CCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
CH$LINK: INCHIKEY RRAFCDWBNXTKKO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020617

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$SPLASH: splash10-0ik9-6900000000-def0c646d72c040b58da
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  40 2 20
  41 8 80
  42 2 20
  43 4 40
  44 1.5 15
  50 8 80
  51 16 160
  52 9 90
  53 11 110
  54 2.5 25
  55 25.5 255
  56 2 20
  57 2 20
  61 2 20
  62 5 50
  63 8 80
  64 4 40
  65 15 150
  66 9 90
  67 2.5 25
  68 2 20
  69 2 20
  74 3 30
  75 5 50
  76 2.5 25
  77 38 380
  78 12 120
  79 12.5 125
  80 2 20
  81 3.5 35
  89 4.5 45
  90 3 30
  91 21 210
  92 5 50
  93 9.5 95
  94 12.5 125
  95 3 30
  101 2 20
  102 4.5 45
  103 31.5 315
  104 21 210
  105 13.5 135
  106 3 30
  107 5 50
  108 2 20
  109 2 20
  115 4 40
  116 2 20
  117 2 20
  118 2.5 25
  119 5 50
  120 3 30
  121 23 230
  122 10.5 105
  123 2 20
  124 1 10
  130 2 20
  131 27 270
  132 10 100
  133 20 200
  134 2 20
  135 3 30
  136 2 20
  137 23.5 235
  138 3 30
  147 6 60
  148 2.1 21
  149 37 370
  150 5 50
  163 5 50
  164 99.99 999
  165 12 120
  166 2 20
//