ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009172
RECORD_TITLE: ANETHOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ANETHOLE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-4900000000-719d9077568af9d0f6a4
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 4.39 44
  27 4.55 46
  38 1.17 12
  39 7.08 71
  41 2.44 24
  50 3.72 37
  51 8.04 80
  52 3.22 32
  53 3.3 33
  55 3.95 40
  62 1.93 19
  63 6.37 64
  64 1.81 18
  65 5.31 53
  74 2.86 29
  75 1.77 18
  76 1.77 18
  77 21.84 218
  78 7.52 75
  79 14.6 146
  89 3.74 37
  90 1.21 12
  91 11.94 119
  92 1.61 16
  93 1.41 14
  102 2.59 26
  103 12.03 120
  104 3.4 34
  105 20.08 201
  106 1.51 15
  107 1.38 14
  115 12.57 126
  116 4.69 47
  117 23.25 233
  118 2.55 26
  119 1.82 18
  121 15.95 160
  122 1.19 12
  131 2.75 28
  132 2.48 25
  133 21.36 214
  134 1.75 18
  146 1.47 15
  147 39.77 398
  148 99.99 999
  149 8.94 89
//