ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009331
RECORD_TITLE: ISOEUGENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S 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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-5900000000-d5e9036e83fd9c1033b0
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 5.7 57
  28 2.3 23
  29 1.3 13
  38 0.2 2
  39 10.8 108
  40 1.6 16
  41 4.2 42
  43 0.37 4
  50 3.4 34
  51 9.6 96
  52 3.7 37
  53 0.37 4
  55 21 210
  62 2.1 21
  63 5.2 52
  64 0.17 2
  65 7.8 78
  66 2.2 22
  74 1.4 14
  75 0.16 2
  76 1.3 13
  77 22.1 221
  78 5.4 54
  79 0.51 5
  81 2 20
  82 2.7 27
  89 2.3 23
  91 1.53 15
  92 2.3 23
  93 4.4 44
  94 1.7 17
  102 0.16 2
  103 17.6 176
  104 9.6 96
  105 4.3 43
  106 0.1 1
  107 3.2 32
  109 1.3 13
  115 1.6 16
  118 0.1 1
  119 1.7 17
  120 1.2 12
  121 12.9 129
  122 0.2 2
  131 16.7 167
  132 5.4 54
  133 12 120
  134 0.15 2
  135 1.1 11
  137 5.3 53
  147 3.3 33
  149 3.44 34
  150 3.3 33
  163 4 40
  164 99.99 999
  165 11 110
//