ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005790
RECORD_TITLE: (E)-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-ETHENE-1-YL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (E)-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-ETHENE-1-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂
CH$EXACT_MASS: 208.14633
CH$SMILES: CC(=O)OC([H])=C([H])C(=C(C)1)C(C)(C)CCC1
CH$IUPAC: InChI=1S/C13H20O2/c1-10-6-5-8-13(3,4)12(10)7-9-15-11(2)14/h7,9H,5-6,8H2,1-4H3/b9-7+
CH$LINK: INCHIKEY QQLXIJJAHMEDSX-VQHVLOKHSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0gb9-3900000000-7c83e4557650ce6a8ea2
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  52 1.81 18
  54 4.58 46
  55 7.21 72
  57 3.61 36
  65 2.91 29
  67 5.24 52
  69 5.37 54
  71 2.21 22
  77 4.57 46
  79 5.73 57
  80 1.31 13
  81 14.05 141
  82 1.57 16
  83 3.2 32
  84 2.53 25
  91 8 80
  92 1.77 18
  93 11.08 111
  94 2.26 23
  95 23.49 235
  96 2.74 27
  97 5.61 56
  105 5.27 53
  107 9.34 93
  108 2.8 28
  109 7.45 75
  110 18.2 182
  111 3.82 38
  121 3.14 31
  122 3.09 31
  123 7.62 76
  124 1.07 11
  133 7.43 74
  134 1.18 12
  135 2.34 23
  137 2.35 24
  151 92.68 927
  152 9.63 96
  166 99.99 999
  167 11.22 112
  168 0.98 10
  208 19.28 193
  209 2.27 23
//