ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004867
RECORD_TITLE: 9-ACETOXY-3-ISOBUTYL-5-METHYLBICYCLO(4.3.0)NON-2-ENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 9-ACETOXY-3-ISOBUTYL-5-METHYLBICYCLO(4.3.0)NON-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O2
CH$EXACT_MASS: 250.19328
CH$SMILES: CC(C)CC(C1)=CC(C(OC(C)=O)2)C(CC2)C(C)1
CH$IUPAC: InChI=1S/C16H26O2/c1-10(2)7-13-8-11(3)14-5-6-16(15(14)9-13)18-12(4)17/h9-11,14-16H,5-8H2,1-4H3
CH$LINK: INCHIKEY AOOZCPQVJAKLHX-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000x-1900000000-fec4101110e6e6863a62
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  55 2.7 27
  57 14.9 149
  67 2.5 25
  69 0.33 3
  91 6.1 61
  92 1.4 14
  93 4.7 47
  95 0.42 4
  105 8.6 86
  108 1.4 14
  109 1.8 18
  119 1.6 16
  120 1.4 14
  121 2.4 24
  133 97.1 971
  134 1.93 19
  135 4.9 49
  136 1.5 15
  145 2.1 21
  147 9.43 94
  148 5.9 59
  149 3.7 37
  150 1.6 16
  161 0.36 4
  163 2.4 24
  175 10.4 104
  176 2 20
  190 99.99 999
  191 9.4 94
  193 1.5 15
  208 1.9 19
  224 2.28 23
  250 1.3 13
//
