ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006439
RECORD_TITLE: LIMONENE DIOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LIMONENE DIOXIDE
CH$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$SPLASH: splash10-0006-9100000000-382333aaf62923e66db4
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  15 2.91 29
  27 14.77 148
  29 11.12 111
  31 2.05 21
  39 16.39 164
  40 1.8 18
  41 26.59 266
  42 3.03 30
  43 99.99 999
  44 5.21 52
  45 3.02 30
  51 1.51 15
  52 1.47 15
  53 9.28 93
  54 3.42 34
  55 18.59 186
  56 2.7 27
  57 5.01 50
  58 7.54 75
  59 2.37 24
  65 3.05 31
  66 2.02 20
  67 16.61 166
  68 4.19 42
  69 8.59 86
  70 2.2 22
  71 10.27 103
  72 1.74 17
  77 5.03 50
  79 10.59 106
  80 2.29 23
  81 9.67 97
  82 9.97 100
  83 8.8 88
  84 5.49 55
  85 5.36 54
  91 6.36 64
  92 5.88 59
  93 10.35 104
  94 2.59 26
  95 13.01 130
  96 1.83 18
  97 9.81 98
  98 2.72 27
  105 2.89 29
  106 1.48 15
  107 16.41 164
  108 4.58 46
  109 7.34 73
  110 3.77 38
  111 4.02 40
  121 3.66 37
  123 5.32 53
  124 1.52 15
  125 3.68 37
  135 2.91 29
  137 1.57 16
  139 1.57 16
  153 2.94 29
//