ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007997
RECORD_TITLE: (4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE; 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$NAME: (4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀O
CH$EXACT_MASS: 262.22967
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)CC1
CH$IUPAC: InChI=1S/C18H30O/c1-14(2)8-6-11-17(3)12-7-13-18(4)15(17)9-5-10-16(18)19/h8,15H,5-7,9-13H2,1-4H3/t15-,17+,18-/m0/s1
CH$LINK: INCHIKEY XHDVQLNRSVLERR-JQHSSLGASA-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$SPLASH: splash10-0ar3-8900000000-15c15ef3b99e578ada1e
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  39 8.85 89
  41 79.42 794
  42 5.13 51
  43 21.11 211
  53 12.91 129
  55 53.04 530
  57 6.34 63
  67 36.55 366
  68 14.72 147
  69 99.99 999
  70 7.74 77
  77 6.83 68
  79 16.44 164
  80 5.61 56
  81 55.51 555
  82 24.64 246
  83 29.96 300
  84 5.68 57
  91 9.27 93
  93 22.76 228
  94 9.22 92
  95 50.97 510
  96 16.4 164
  97 12.67 127
  105 16.25 163
  107 19.43 194
  108 10.75 108
  109 71.64 716
  110 18.32 183
  111 28.75 288
  112 8.58 86
  119 10.21 102
  121 20.17 202
  122 21.15 212
  123 25.07 251
  124 60.19 602
  125 12.72 127
  133 10.18 102
  134 6.09 61
  135 37.97 380
  136 23.4 234
  137 28.49 285
  138 6.91 69
  149 1.91 19
  151 6.53 65
  159 8.09 81
  161 34.78 348
  162 27.55 276
  163 11.43 114
  177 40.98 410
  178 56.57 566
  179 39.49 395
  180 10.36 104
  247 10.33 103
  262 45.3 453
  263 10.52 105
//