ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009445
RECORD_TITLE: ISOEUGENOL; 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$NAME: ISOEUGENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CC=Cc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
CH$LINK: INCHIKEY BJIOGJUNALELMI-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID50872350

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$SPLASH: splash10-03di-4900000000-f0dd30e91dc041336262
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  40 2 20
  41 3.5 35
  42 1 10
  43 2.5 25
  50 3 30
  51 7.5 75
  52 3.5 35
  53 6.5 65
  54 1.5 15
  55 27.5 275
  61 1.5 15
  62 2.5 25
  63 5.5 55
  64 2.5 25
  65 8.5 85
  66 3.5 35
  67 2.5 25
  68 1 10
  69 3 30
  74 1.5 15
  75 2.5 25
  76 1.5 15
  77 25.5 255
  78 8 80
  79 6.5 65
  80 1.5 15
  81 3.5 35
  82 2.5 25
  89 3.5 35
  90 2.5 25
  91 19 190
  92 4 40
  93 8 80
  94 3.5 35
  95 1.5 15
  102 2.5 25
  103 26.5 265
  104 14.5 145
  105 7.5 75
  106 2.5 25
  107 6 60
  108 1.5 15
  109 1.5 15
  115 3.5 35
  116 1.5 15
  117 2 20
  118 2 20
  119 3.5 35
  120 2.5 25
  121 20.5 205
  122 3.5 35
  123 1.5 15
  124 2 20
  125 1.5 15
  130 2 20
  131 17.5 175
  132 7 70
  133 16.5 165
  134 3 30
  135 3.5 35
  136 1.5 15
  137 7.5 75
  147 5.5 55
  148 2.5 25
  149 36.5 365
  150 5 50
  151 2 20
  161 1.5 15
  162 2 20
  163 5.5 55
  164 99.99 999
  165 13 130
  166 2 20
//