ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008371
RECORD_TITLE: LIMONENE DIOXIDE; 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$NAME: LIMONENE DIOXIDE
CH$NAME: 1,2-EPOXY-4-(1,2-EPOXY-1-METHYLETHYL)-1-METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₂
CH$EXACT_MASS: 168.11503
CH$SMILES: CC(C3)(O3)C(C2)CC(O1)C(C)(C2)1
CH$IUPAC: InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY RBHIUNHSNSQJNG-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9100000000-a2af02d90ccc82b85c88
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  14 1.23 12
  15 2.67 27
  27 13.82 138
  29 10.81 108
  31 2.64 26
  39 14.79 148
  40 1.27 13
  41 20.41 204
  42 2.74 27
  43 99.99 999
  44 4.97 50
  45 3.68 37
  51 2.53 25
  53 9.25 93
  54 3.1 31
  55 16.92 169
  56 2.07 21
  57 4.81 48
  58 8.15 82
  59 2.22 22
  65 2.48 25
  66 1.43 14
  67 16.86 169
  68 4.13 41
  69 7.42 74
  70 1.97 20
  71 8.31 83
  77 5.37 54
  79 11 110
  80 4.1 41
  81 9.85 99
  82 10.65 107
  83 8.85 89
  84 3.65 37
  85 3.46 35
  91 5.38 54
  92 6.47 65
  93 13.67 137
  94 6.87 69
  95 21.45 215
  96 2.22 22
  97 6.52 65
  98 1.9 19
  105 3.02 30
  106 1.13 11
  107 16.07 161
  108 4.22 42
  109 5.74 57
  110 4.13 41
  111 4.12 41
  121 2.95 30
  122 1.51 15
  123 7.77 78
  125 2.47 25
  135 1.45 15
  137 2.34 23
  138 1.92 19
//