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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008005

(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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
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  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
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  138 19.53 195
  139 5.06 51
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  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
//

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