ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009741
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-1900000000-1530d67ee6f2740c4978
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43 1.2 12
  55 10.4 104
  77 6.9 69
  78 0.18 2
  79 2 20
  91 4.3 43
  93 2.2 22
  103 0.85 9
  104 6.6 66
  105 2.2 22
  107 2 20
  121 0.79 8
  131 10.7 107
  132 3.7 37
  133 8.6 86
  134 0.1 1
  137 3.1 31
  147 2.2 22
  149 24.8 248
  150 0.25 3
  163 2.6 26
  164 99.99 999
  165 11.3 113
  166 0.8 8
//