ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008370
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$SPLASH: splash10-0006-9100000000-29147d8387e69b7563c4
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 2.87 29
  27 14.93 149
  29 10.58 106
  31 2.38 24
  39 15.08 151
  40 1.49 15
  41 25.25 253
  42 2.96 30
  43 99.99 999
  44 4.98 50
  45 2.77 28
  51 2.31 23
  52 1.3 13
  53 9.29 93
  54 3.93 39
  55 17.58 176
  56 2.47 25
  57 4.91 49
  58 9.63 96
  59 2.78 28
  65 2.84 28
  66 1.58 16
  67 17.11 171
  68 4.39 44
  69 9.49 95
  70 2 20
  71 10.83 108
  72 1.64 16
  77 4.6 46
  79 10.27 103
  80 2.95 30
  81 9.35 94
  82 11.36 114
  83 8.45 85
  84 3 30
  85 3.79 38
  91 5.36 54
  92 6.44 64
  93 10.07 101
  94 2.49 25
  95 13.28 133
  96 2.3 23
  97 10.01 100
  98 3 30
  105 2.84 28
  106 1.85 19
  107 14.49 145
  108 4.26 43
  109 6.86 69
  110 4.3 43
  111 5.44 54
  121 3.69 37
  123 5.11 51
  125 3.68 37
  135 2.93 29
  137 1.16 12
  139 1.14 11
  153 2.45 25
//