ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006749
RECORD_TITLE: 1,6,5'-TRIMETHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; 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$NAME: 1,6,5'-TRIMETHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$NAME: 2,3,7-TRIMETHYL-2,3-METHANOCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O2
CH$EXACT_MASS: 202.09938
CH$SMILES: Cc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C(C)12
CH$IUPAC: InChI=1S/C13H14O2/c1-8-4-5-9-10(6-8)15-13(3)7-12(13,2)11(9)14/h4-6H,7H2,1-3H3
CH$LINK: INCHIKEY NVDZXYOUPPJXIV-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0r09-4920000000-29a505767c92c422afb9
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  50 13 130
  51 26 260
  52 16 160
  53 0.26 3
  62 8 80
  63 28 280
  64 9 90
  65 0.17 2
  67 16 160
  69 10 100
  75 7 70
  77 0.38 4
  78 24 240
  79 14 140
  86 14 140
  89 0.33 3
  90 33 330
  91 27 270
  105 14 140
  106 0.1 1
  107 20 200
  108 43 430
  115 21 210
  116 0.1 1
  118 40 400
  119 8 80
  121 8 80
  128 0.08 1
  129 7 70
  131 15 150
  135 65 650
  145 0.25 3
  157 6 60
  158 7 70
  159 99.99 999
  160 0.27 3
  161 13 130
  162 51 510
  163 6 60
  173 0.3 3
  174 8 80
  187 46 460
  188 7 70
  201 0.08 1
  202 96 960
  203 15 150
  204 3 30
//
