ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011046
RECORD_TITLE: 5-BUTYL-1-HYDROXY-8-OXABICYCLO(3.2.1)OCTA-3,6-DIEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-BUTYL-1-HYDROXY-8-OXABICYCLO(3.2.1)OCTA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: CCCCC(C=1)(C=2)OC(O)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C11H14O3/c1-2-3-5-10-6-4-9(12)11(13,14-10)8-7-10/h4,6-8,13H,2-3,5H2,1H3
CH$LINK: INCHIKEY WVIFTNWOWQFOCS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14087805

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-6900000000-d6ffad5202760f3b2f78
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  39 11.14 111
  41 11.83 118
  51 6.6 66
  53 9.4 94
  55 8.01 80
  57 10.47 105
  65 4.96 50
  67 6.19 62
  77 13.98 140
  79 13.78 138
  81 8.27 83
  85 8.14 81
  91 6.93 69
  95 5.45 55
  97 4.83 48
  107 99.99 999
  108 9.56 96
  110 5.57 56
  123 5 50
  133 5.71 57
  134 2.7 27
  135 1.59 16
  137 3.22 32
  138 3.94 39
  139 1.39 14
  148 1.63 16
  149 1.58 16
  150 1.64 16
  151 12.8 128
  152 7.8 78
  153 4.02 40
  165 1.09 11
  166 1.04 10
  176 1.13 11
  194 1 10
//