ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009751
RECORD_TITLE: 1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTHLENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTHLENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O
CH$EXACT_MASS: 166.13577
CH$SMILES: O=C(C1)CC(C2)C(C)(CCC2)C1
CH$IUPAC: InChI=1S/C11H18O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h9H,2-8H2,1H3
CH$LINK: INCHIKEY QAFCUHJMKAQBFU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30917915
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014j-9700000000-17eed8ccfb3ddfc3a1cb
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  28 4.4 44
  29 2.7 27
  41 12 120
  42 0.18 2
  43 6.4 64
  53 3 30
  54 6.5 65
  55 3.62 36
  56 11 110
  57 16.4 164
  66 2.8 28
  67 4.17 42
  68 25.7 257
  69 64.1 641
  70 6.9 69
  71 0.95 10
  72 2.7 27
  73 1.8 18
  79 9.1 91
  80 0.61 6
  81 51.8 518
  82 21 210
  83 9.4 94
  84 4.45 45
  85 4.6 46
  86 1.1 11
  91 4 40
  92 0.31 3
  93 19.4 194
  94 65.6 656
  95 85.3 853
  96 5.89 59
  97 22.8 228
  98 19.3 193
  99 1.7 17
  105 0.27 3
  106 3.9 39
  108 22.1 221
  109 82.7 827
  110 3.71 37
  111 85.5 855
  112 9.9 99
  113 1.2 12
  119 0.36 4
  120 1.5 15
  121 1.6 16
  122 17.7 177
  123 2.29 23
  124 12.3 123
  125 2.7 27
  133 11.7 117
  134 0.17 2
  135 1.8 18
  136 1.4 14
  137 24.9 249
  138 0.6 6
  139 1.2 12
  148 10.4 104
  149 1 10
  151 1.71 17
  152 2.3 23
  165 2.3 23
  166 99.99 999
  167 1.26 13
  168 1.1 11
//
