ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009740
RECORD_TITLE: EUGENOL; 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$NAME: EUGENOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-03di-0900000000-dfa64951eb648f5c9df1
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  41 1.7 17
  43 1 10
  55 8.3 83
  77 0.69 7
  78 1.8 18
  79 2.2 22
  91 4.1 41
  93 0.24 2
  94 1.2 12
  103 9.3 93
  104 9.7 97
  105 0.3 3
  107 1.6 16
  121 9.2 92
  122 2.7 27
  131 1.38 14
  132 6.7 67
  133 11.6 116
  134 1.4 14
  135 0.12 1
  137 10 100
  147 3.4 34
  149 24.1 241
  150 0.25 3
  163 3.1 31
  164 99.99 999
  165 11.4 114
  166 1.1 11
//