ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005549
RECORD_TITLE: 3,4-BENZO-2-THIATRICYCLO(4.3.1.0)DEC-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$NAME: 3,4-BENZO-2-THIATRICYCLO(4.3.1.0)DEC-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12OS
CH$EXACT_MASS: 216.06089
CH$SMILES: c(c4)cc(S1)c(c4)C(=O)C(C3)(C2)C(CC3)12
CH$IUPAC: InChI=1S/C13H12OS/c14-11-9-4-1-2-5-10(9)15-13-7-3-6-12(11,13)8-13/h1-2,4-5H,3,6-8H2
CH$LINK: INCHIKEY RMHQTQMPLJWNQF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-0uxr-3890000000-f1d4a70033455d18b16c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  39 9.7 97
  41 5 50
  43 7 70
  45 5.3 53
  50 4.9 49
  51 8.2 82
  53 4.7 47
  63 4.5 45
  65 5.2 52
  69 7.7 77
  71 5 50
  76 6.7 67
  79 9 90
  91 4.4 44
  108 8.5 85
  109 5.5 55
  115 10 100
  128 5.3 53
  136 8.6 86
  137 5.5 55
  147 7.5 75
  153 5.8 58
  154 5.1 51
  155 10.2 102
  160 9.3 93
  163 26 260
  172 4 40
  173 9.3 93
  174 17 170
  175 3.8 38
  183 10.3 103
  184 5.3 53
  185 3.6 36
  187 22 220
  188 7 70
  199 15 150
  200 3.5 35
  201 99.99 999
  202 13.3 133
  203 5.3 53
  215 9 90
  216 71 710
  217 11.4 114
  218 4.1 41
//
