ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002513
RECORD_TITLE: ISOBISABOLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ISOBISABOLENE
CH$NAME: 6-METHYL-2-(4-METHYLENECYCLOHEXYL)-1,5-HEPTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(=C)C(C1)CCC(=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,15H,3-5,7-11H2,1-2H3
CH$LINK: INCHIKEY XMGWPQCLCZIWPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21724304

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-014l-9200000000-3bc1c00936795e4c77e5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 58.85 589
  43 3.81 38
  53 6.44 64
  55 9.75 98
  67 21.43 214
  68 4.51 45
  69 99.99 999
  70 5.86 59
  77 6.13 61
  79 14.79 148
  80 3.94 39
  81 10.26 103
  82 5.67 57
  91 9.23 92
  92 4.79 48
  93 25.66 257
  94 7.89 79
  95 6.39 64
  105 5.96 60
  107 7.46 75
  108 3.1 31
  109 26.64 266
  119 4.4 44
  120 3.72 37
  121 3.81 38
  133 4.23 42
  134 3.25 33
  135 5.03 50
  161 19.65 197
  204 12.26 123
//