ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008005
RECORD_TITLE: (4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-5AALPHA-(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$NAME: (4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-5AALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₄O₂
CH$EXACT_MASS: 306.25588
CH$SMILES: CC(C)=CCCC(C)(C3)C([H])(C1)C(C)(CC3)C(O2)(OCC2)CC1
CH$IUPAC: InChI=1S/C20H34O2/c1-16(2)8-5-10-18(3)11-7-12-19(4)17(18)9-6-13-20(19)21-14-15-22-20/h8,17H,5-7,9-15H2,1-4H3/t17-,18+,19-/m0/s1
CH$LINK: INCHIKEY NNNJBVICGSMWIP-OTWHNJEPSA-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$SPLASH: splash10-052b-9610000000-649ed096a3637254c8fc
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  41 12.32 123
  53 6.42 64
  55 28.08 281
  67 15.32 153
  68 6.36 64
  69 35.7 357
  79 7.25 73
  81 23.59 236
  82 10.61 106
  83 9.75 98
  86 25.24 252
  87 9.99 100
  93 9.04 90
  95 20.85 209
  96 10.31 103
  99 99.99 999
  100 14.36 144
  105 5.7 57
  107 9.77 98
  108 0.57 6
  109 27.56 276
  113 8.49 85
  114 5.63 56
  121 0.67 7
  122 7.67 77
  123 10.88 109
  124 5.3 53
  125 10.03 100
  128 8.37 84
  135 8.74 87
  136 11.83 118
  137 7.13 71
  138 19.53 195
  139 5.06 51
  149 7.02 70
  151 7.16 72
  161 7.99 80
  162 23.56 236
  163 10.19 102
  175 8.41 84
  176 7.59 76
  191 8.64 86
  192 6.36 64
  193 1.09 11
  223 12.09 121
  224 5.91 59
  262 7.83 78
  275 18.36 184
  306 29.57 296
  307 6.85 69
//