ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005543
RECORD_TITLE: 3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE (7,7-D2); 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$NAME: 3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE (7,7-D2)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₂
CH$EXACT_MASS: 160.05243
CH$SMILES: O=C(c32)C(C(Oc(cccc3)2)1)C([2H])([2H])1
CH$IUPAC: InChI=1S/C10H8O2/c11-10-6-3-1-2-4-8(6)12-9-5-7(9)10/h1-4,7,9H,5H2/i5D2
CH$LINK: INCHIKEY DQYKWUOLGDGKNU-BFWBPSQCSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-03e9-1900000000-d6f1e4eb58b2e3b3e53c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  75 9 90
  76 53.2 532
  77 17 170
  103 7 70
  104 51.3 513
  105 21 210
  119 1 10
  120 13 130
  121 5.7 57
  130 0.2 2
  131 11 110
  132 55.2 552
  133 53.8 538
  134 18.2 182
  135 6 60
  160 9.5 95
  161 44.8 448
  162 99.99 999
  163 13.3 133
//