ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008840
RECORD_TITLE: KHUSITONE; 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$NAME: KHUSITONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O
CH$EXACT_MASS: 204.15142
CH$SMILES: CC(C2)=CC([H])(C(C(C)=O)1)C([H])(C2)C(=C)CC1
CH$IUPAC: InChI=1S/C14H20O/c1-9-4-6-12-10(2)5-7-13(11(3)15)14(12)8-9/h8,12-14H,2,4-7H2,1,3H3/t12-,13-,14+/m1/s1
CH$LINK: INCHIKEY YXIJNEOZFSAIAQ-MCIONIFRSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-03dl-7900000000-84e5d659ea41adde7984
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39 7.47 75
  41 16.68 167
  43 47.35 474
  53 6.76 68
  55 14.62 146
  57 9.56 96
  65 5.93 59
  67 8.97 90
  69 10.67 107
  71 10.41 104
  77 12.64 126
  79 15.33 153
  81 25.87 259
  86 5.46 55
  91 23.61 236
  93 15.84 158
  95 7.21 72
  99 17.73 177
  105 42.36 424
  106 6.21 62
  107 7.11 71
  109 5.01 50
  117 7.11 71
  119 22.47 225
  121 5.38 54
  129 5.09 51
  131 10.76 108
  133 10.71 107
  134 5.46 55
  145 9.69 97
  147 7.13 71
  149 15.05 151
  159 14.92 149
  160 6.27 63
  161 99.99 999
  162 15.99 160
  167 6.18 62
  175 12.95 130
  204 22.19 222
//