ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009453
RECORD_TITLE: ANETHOL; 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$NAME: ANETHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O
CH$EXACT_MASS: 148.08882
CH$SMILES: CC=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
CH$LINK: INCHIKEY RUVINXPYWBROJD-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID9020087

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$SPLASH: splash10-0002-4900000000-2594f8795c2908bd5825
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  40 1.5 15
  41 3 30
  50 7 70
  51 11.5 115
  52 5.5 55
  53 4 40
  55 6 60
  61 1.5 15
  62 3 30
  63 9.5 95
  64 2.5 25
  65 8.5 85
  66 1.5 15
  74 3.5 35
  75 3.5 35
  76 3.5 35
  77 27 270
  78 11 110
  79 17 170
  80 3 30
  87 2.5 25
  89 5.5 55
  90 2.5 25
  91 15.5 155
  92 3.5 35
  93 2.5 25
  101 1.5 15
  102 4.5 45
  103 15.5 155
  104 5.5 55
  105 26.5 265
  106 3.5 35
  107 2.5 25
  115 13 130
  116 6.5 65
  117 23 230
  118 3.5 35
  119 2.5 25
  120 1.5 15
  121 18.5 185
  122 2.5 25
  131 4 40
  132 4 40
  133 24.5 245
  134 3.5 35
  135 2.5 25
  146 3.5 35
  147 36.5 365
  148 99.99 999
  149 11 110
  150 1.5 15
//