ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006307
RECORD_TITLE: 2,4,4-TRIMETHYLBICYCLO(3.1.1)HEPTAN-2,3-EPOXY-6-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,4,4-TRIMETHYLBICYCLO(3.1.1)HEPTAN-2,3-EPOXY-6-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: O=C(C32)C(C3)C(C)(O1)C1C(C)(C)2
CH$IUPAC: InChI=1S/C10H14O2/c1-9(2)5-4-6(7(5)11)10(3)8(9)12-10/h5-6,8H,4H2,1-3H3
CH$LINK: INCHIKEY LUANZWPGTAHQBV-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMS-4
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: splash10-05mo-9100000000-82ca5294ddfa4c81db3a
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  40 40 400
  41 72.1 721
  42 48.5 485
  43 9.2 92
  44 1.5 15
  50 12.5 125
  51 30.7 307
  52 1.5 15
  53 40.9 409
  54 23.6 236
  55 72.4 724
  56 1.1 11
  57 14.2 142
  58 1 10
  59 5.5 55
  62 0.31 3
  63 8.7 87
  64 2.4 24
  65 15.7 157
  66 0.47 5
  67 59.1 591
  68 6.3 63
  69 79.5 795
  70 1.1 11
  71 15 150
  72 3.1 31
  76 1 10
  77 1.81 18
  78 9.4 94
  79 26.8 268
  80 5.5 55
  81 0.79 8
  82 37.8 378
  83 60.6 606
  84 12.6 126
  85 1.1 11
  91 52.8 528
  92 9.4 94
  93 25.2 252
  94 0.87 9
  95 83.5 835
  96 37.8 378
  97 11 110
  98 3.15 32
  99 6.3 63
  103 1.6 16
  104 1 10
  105 2.05 21
  106 3.1 31
  107 99.99 999
  108 7.9 79
  109 1.26 13
  110 1 10
  111 3 30
  121 3.1 31
  122 0.63 6
  123 43.2 432
  124 4.7 47
  125 2.4 24
  137 0.24 2
  138 1.6 16
  139 1 10
  151 1 10
  165 0.16 2
  166 4.7 47
  167 1 10
//
