ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005791
RECORD_TITLE: (E)-4-(1,2-EPOXY-2,6,6-TRIMETHYLCYCLOHEXAN-1-YL)-3-BUTEN-2-ONE; 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$NAME: (E)-4-(1,2-EPOXY-2,6,6-TRIMETHYLCYCLOHEXAN-1-YL)-3-BUTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂
CH$EXACT_MASS: 208.14633
CH$SMILES: CC(=O)C([H])=C([H])C(O1)(C(C)(C)2)C(C)(CCC2)1
CH$IUPAC: InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+
CH$LINK: INCHIKEY ZTJZJYUGOJYHCU-RMKNXTFCSA-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$SPLASH: splash10-00di-3900000000-642601a39cf4828a95cc
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  51 1.42 14
  53 2.74 27
  55 6.62 66
  65 1.41 14
  67 2.46 25
  69 9.19 92
  70 1.48 15
  75 1.15 12
  77 3.19 32
  79 4.55 46
  80 1.18 12
  81 4.94 49
  82 1.3 13
  83 1.15 12
  91 4.94 49
  93 3.13 31
  95 6.08 61
  96 11.03 110
  97 3.99 40
  98 7.03 70
  105 4.03 40
  107 6.05 61
  108 1.79 18
  109 5.98 60
  111 3.75 38
  115 1.75 18
  117 1.12 11
  119 2.04 20
  121 1.57 16
  122 2.19 22
  123 99.99 999
  124 9.43 94
  125 2.45 25
  131 2.61 26
  132 1.27 13
  133 2.21 22
  135 8.95 90
  136 1.23 12
  137 0.98 10
  140 1.06 11
  142 1.29 13
  147 4.91 49
  148 1.67 17
  150 0.98 10
  157 2.33 23
  159 0.96 10
  165 6.03 60
  166 1.11 11
  173 2.04 20
  175 9.86 99
  176 1.45 15
  177 2.85 29
  190 4.69 47
  191 1.06 11
  193 1.79 18
  208 1.23 12
//