ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009332
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-4900000000-1d96ae8b031e47e13112
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 7.1 71
  28 2.6 26
  29 0.15 2
  31 0.9 9
  38 2.2 22
  39 15.2 152
  40 0.28 3
  41 7.5 75
  43 4.2 42
  45 1 10
  50 0.46 5
  51 12.9 129
  52 5.4 54
  53 4.8 48
  55 2.19 22
  56 1.1 11
  62 2 20
  63 5.1 51
  64 0.18 2
  65 9.8 98
  66 4 40
  67 1.3 13
  69 0.1 1
  74 1.3 13
  75 1.2 12
  76 1.3 13
  77 2.58 26
  78 6.9 69
  79 6.2 62
  81 2.2 22
  89 0.18 2
  91 17 170
  92 2.4 24
  93 4.6 46
  94 0.57 6
  95 1.1 11
  102 1.7 17
  103 20.6 206
  104 1.45 15
  105 6.3 63
  106 1.1 11
  107 3.2 32
  109 0.13 1
  115 2.2 22
  119 1.9 19
  120 1.1 11
  121 1.51 15
  122 6.3 63
  131 20.6 206
  132 9.7 97
  133 1.63 16
  134 1.8 18
  135 1.8 18
  137 19.3 193
  138 0.16 2
  147 4.8 48
  149 34.6 346
  150 3.3 33
  163 0.44 4
  164 99.99 999
  165 11.1 111
  166 1.1 11
//